HEADER LIPID TRANSPORT 14-AUG-08 SMS20034 TITLE SOLUTION NMR STRUCTURE OF 4F ASSOCIATED WITH DMPC DISC COMPND MOL_ID: 1; COMPND 2 MOLECULE: 4F; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 OTHER_DETAILS: CHEMICAL SYNTHESIS KEYWDS AMPHIPATHIC HELIX, CLASS A HELIX, 4F, LIPID TRANSPORT EXPDTA SOLUTION NMR NUMMDL 71 MDLTYP MINIMIZED AVERAGE AUTHOR V.K.MISHRA JRNL AUTH V.K.MISHRA,M.N.PALGUNACHARI,N.R.KRISHNA,J.GLUSHKA, JRNL AUTH 2 J.P.SEGREST,G.M.ANANTHARAMAIAH JRNL TITL EFFECT OF LEUCINE TO PHENYLALANINE SUBSTITUTION ON THE JRNL TITL 2 NONPOLAR FACE OF A CLASS A AMPHIPATHIC HELICAL PEPTIDE ON JRNL TITL 3 ITS INTERACTION WITH LIPID: HIGH RESOLUTION SOLUTION NMR JRNL TITL 4 STUDIES OF 4F-DIMYRISTOYLPHOSPHATIDYLCHOLINE DISCOIDAL JRNL TITL 5 COMPLEX JRNL REF J.BIOL.CHEM. V. 283 34393 2008 JRNL REFN ISSN 0021-9258 JRNL PMID 18845546 JRNL DOI 10.1074/JBC.M806384200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE, REMARK 3 JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20034. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 3MM 4F; 5MM SODIUM PHOSPHATE; REMARK 210 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D DQF-COSY; 2D REMARK 210 1H-1H COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 900 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE; INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 71 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ACE A 1 H PHE A 4 1.86 REMARK 500 O LYS A 14 H ALA A 18 1.88 REMARK 500 O ASP A 2 H ALA A 6 1.99 REMARK 500 O TRP A 3 HD1 PHE A 7 2.05 REMARK 500 O PHE A 4 HD1 PHE A 7 2.06 REMARK 500 O VAL A 11 H PHE A 15 2.10 REMARK 500 O ASP A 2 HB3 ALA A 6 2.10 REMARK 500 O ASP A 2 HB2 ALA A 6 2.11 REMARK 500 O LYS A 5 HB2 ASP A 9 2.11 REMARK 500 O ACE A 1 HB3 PHE A 4 2.11 REMARK 500 O LYS A 14 HB2 ALA A 18 2.13 REMARK 500 O PHE A 4 H TYR A 8 2.14 REMARK 500 O LYS A 14 HB1 ALA A 18 2.14 REMARK 500 O PHE A 7 H VAL A 11 2.14 REMARK 500 O ALA A 12 H LYS A 16 2.15 REMARK 500 O LYS A 10 HB3 GLU A 13 2.18 REMARK 500 O PHE A 15 H PHE A 19 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 6 ALA A 18 -31.18 -38.96 REMARK 500 8 GLU A 17 -61.50 -92.57 REMARK 500 11 GLU A 17 -64.68 -92.41 REMARK 500 15 GLU A 17 -60.75 -96.48 REMARK 500 38 GLU A 17 -61.46 -92.71 REMARK 500 48 TYR A 8 -35.28 -39.96 REMARK 500 63 GLU A 17 -61.41 -97.35 REMARK 500 71 GLU A 17 -66.67 -93.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20034 RELATED DB: BMRB DBREF A 2 19 BMRB SMS20034 SMS20034 1 18 SEQADV ACE A 1 BMRB SMS20034 ACETYLATION SEQADV NH2 A 20 BMRB SMS20034 AMIDATION SEQRES 1 A 20 ACE ASP TRP PHE LYS ALA PHE TYR ASP LYS VAL ALA GLU SEQRES 2 A 20 LYS PHE LYS GLU ALA PHE NH2 HET ACE A 1 6 HET NH2 A 20 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 1 ACE C2 H4 O FORMUL 1 NH2 H2 N HELIX 1 1 ASP A 2 PHE A 19 1 18 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 HETATM 1 C ACE A 1 12.228 -0.564 -0.505 1.00 0.67 C HETATM 2 O ACE A 1 11.168 -0.006 -0.289 1.00 0.62 O HETATM 3 CH3 ACE A 1 13.327 -0.607 0.545 1.00 0.80 C HETATM 4 H1 ACE A 1 12.946 -0.215 1.476 1.00 1.31 H HETATM 5 H2 ACE A 1 14.163 -0.016 0.214 1.00 1.35 H HETATM 6 H3 ACE A 1 13.641 -1.632 0.687 1.00 1.29 H ATOM 7 N ASP A 2 12.446 -1.188 -1.624 1.00 0.77 N ATOM 8 CA ASP A 2 11.392 -1.217 -2.646 1.00 0.83 C ATOM 9 C ASP A 2 10.264 -2.011 -2.035 1.00 0.73 C ATOM 10 O ASP A 2 9.107 -1.705 -2.197 1.00 0.75 O ATOM 11 CB ASP A 2 11.997 -1.943 -3.849 1.00 1.14 C ATOM 12 CG ASP A 2 13.391 -1.382 -4.136 1.00 1.37 C ATOM 13 OD1 ASP A 2 13.472 -0.371 -4.815 1.00 1.95 O ATOM 14 OD2 ASP A 2 14.353 -1.971 -3.672 1.00 1.97 O ATOM 15 H ASP A 2 13.275 -1.667 -1.767 1.00 0.88 H ATOM 16 HA ASP A 2 11.078 -0.222 -2.909 1.00 0.85 H ATOM 17 HB2 ASP A 2 12.071 -2.999 -3.632 1.00 1.63 H ATOM 18 HB3 ASP A 2 11.367 -1.796 -4.713 1.00 1.62 H ATOM 19 N TRP A 3 10.628 -3.011 -1.276 1.00 0.79 N ATOM 20 CA TRP A 3 9.623 -3.840 -0.580 1.00 0.90 C ATOM 21 C TRP A 3 8.870 -2.958 0.431 1.00 0.73 C ATOM 22 O TRP A 3 7.857 -3.344 0.973 1.00 0.84 O ATOM 23 CB TRP A 3 10.441 -4.927 0.146 1.00 1.15 C ATOM 24 CG TRP A 3 10.913 -4.347 1.432 1.00 1.05 C ATOM 25 CD1 TRP A 3 11.457 -3.125 1.534 1.00 1.43 C ATOM 26 CD2 TRP A 3 10.871 -4.897 2.779 1.00 1.75 C ATOM 27 NE1 TRP A 3 11.701 -2.851 2.850 1.00 1.94 N ATOM 28 CE2 TRP A 3 11.386 -3.923 3.666 1.00 2.11 C ATOM 29 CE3 TRP A 3 10.437 -6.123 3.314 1.00 2.60 C ATOM 30 CZ2 TRP A 3 11.467 -4.155 5.040 1.00 2.96 C ATOM 31 CZ3 TRP A 3 10.522 -6.363 4.696 1.00 3.45 C ATOM 32 CH2 TRP A 3 11.036 -5.381 5.556 1.00 3.54 C ATOM 33 H TRP A 3 11.577 -3.193 -1.141 1.00 0.87 H ATOM 34 HA TRP A 3 8.956 -4.282 -1.281 1.00 1.00 H ATOM 35 HB2 TRP A 3 9.817 -5.788 0.338 1.00 1.43 H ATOM 36 HB3 TRP A 3 11.288 -5.213 -0.458 1.00 1.66 H ATOM 37 HD1 TRP A 3 11.631 -2.450 0.715 1.00 1.87 H ATOM 38 HE1 TRP A 3 12.062 -2.012 3.176 1.00 2.49 H ATOM 39 HE3 TRP A 3 10.040 -6.885 2.660 1.00 2.81 H ATOM 40 HZ2 TRP A 3 11.863 -3.396 5.698 1.00 3.37 H ATOM 41 HZ3 TRP A 3 10.190 -7.309 5.098 1.00 4.19 H ATOM 42 HH2 TRP A 3 11.099 -5.572 6.618 1.00 4.26 H ATOM 43 N PHE A 4 9.394 -1.781 0.695 1.00 0.58 N ATOM 44 CA PHE A 4 8.758 -0.858 1.670 1.00 0.64 C ATOM 45 C PHE A 4 7.701 -0.048 0.946 1.00 0.51 C ATOM 46 O PHE A 4 6.536 -0.078 1.275 1.00 0.69 O ATOM 47 CB PHE A 4 9.886 0.042 2.166 1.00 0.73 C ATOM 48 CG PHE A 4 9.434 0.780 3.403 1.00 1.25 C ATOM 49 CD1 PHE A 4 8.647 1.932 3.283 1.00 1.88 C ATOM 50 CD2 PHE A 4 9.801 0.312 4.670 1.00 1.68 C ATOM 51 CE1 PHE A 4 8.227 2.615 4.430 1.00 2.49 C ATOM 52 CE2 PHE A 4 9.381 0.995 5.818 1.00 2.27 C ATOM 53 CZ PHE A 4 8.594 2.147 5.698 1.00 2.56 C ATOM 54 H PHE A 4 10.216 -1.510 0.250 1.00 0.55 H ATOM 55 HA PHE A 4 8.335 -1.407 2.487 1.00 0.85 H ATOM 56 HB2 PHE A 4 10.749 -0.562 2.402 1.00 0.86 H ATOM 57 HB3 PHE A 4 10.142 0.754 1.397 1.00 0.83 H ATOM 58 HD1 PHE A 4 8.364 2.293 2.305 1.00 2.13 H ATOM 59 HD2 PHE A 4 10.407 -0.577 4.763 1.00 1.89 H ATOM 60 HE1 PHE A 4 7.621 3.504 4.338 1.00 3.08 H ATOM 61 HE2 PHE A 4 9.664 0.634 6.795 1.00 2.72 H ATOM 62 HZ PHE A 4 8.271 2.675 6.583 1.00 3.09 H ATOM 63 N LYS A 5 8.092 0.642 -0.078 1.00 0.40 N ATOM 64 CA LYS A 5 7.091 1.394 -0.853 1.00 0.56 C ATOM 65 C LYS A 5 6.290 0.377 -1.665 1.00 0.46 C ATOM 66 O LYS A 5 5.297 0.698 -2.289 1.00 0.55 O ATOM 67 CB LYS A 5 7.891 2.322 -1.768 1.00 0.75 C ATOM 68 CG LYS A 5 8.868 3.151 -0.930 1.00 1.78 C ATOM 69 CD LYS A 5 9.580 4.162 -1.830 1.00 2.37 C ATOM 70 CE LYS A 5 8.549 4.894 -2.692 1.00 3.02 C ATOM 71 NZ LYS A 5 9.161 6.222 -2.979 1.00 3.77 N ATOM 72 H LYS A 5 9.028 0.631 -0.357 1.00 0.42 H ATOM 73 HA LYS A 5 6.451 1.958 -0.200 1.00 0.71 H ATOM 74 HB2 LYS A 5 8.442 1.732 -2.486 1.00 1.11 H ATOM 75 HB3 LYS A 5 7.215 2.984 -2.288 1.00 1.17 H ATOM 76 HG2 LYS A 5 8.324 3.674 -0.157 1.00 2.37 H ATOM 77 HG3 LYS A 5 9.598 2.497 -0.478 1.00 2.30 H ATOM 78 HD2 LYS A 5 10.111 4.877 -1.218 1.00 2.78 H ATOM 79 HD3 LYS A 5 10.279 3.646 -2.470 1.00 2.68 H ATOM 80 HE2 LYS A 5 8.376 4.351 -3.611 1.00 3.34 H ATOM 81 HE3 LYS A 5 7.626 5.021 -2.149 1.00 3.29 H ATOM 82 HZ1 LYS A 5 8.988 6.863 -2.179 1.00 4.01 H ATOM 83 HZ2 LYS A 5 8.736 6.620 -3.841 1.00 4.15 H ATOM 84 HZ3 LYS A 5 10.185 6.110 -3.115 1.00 4.17 H ATOM 85 N ALA A 6 6.724 -0.865 -1.652 1.00 0.42 N ATOM 86 CA ALA A 6 6.002 -1.915 -2.415 1.00 0.51 C ATOM 87 C ALA A 6 4.879 -2.514 -1.571 1.00 0.46 C ATOM 88 O ALA A 6 3.800 -2.781 -2.060 1.00 0.50 O ATOM 89 CB ALA A 6 7.059 -2.963 -2.737 1.00 0.69 C ATOM 90 H ALA A 6 7.530 -1.106 -1.134 1.00 0.44 H ATOM 91 HA ALA A 6 5.610 -1.508 -3.321 1.00 0.62 H ATOM 92 HB1 ALA A 6 6.584 -3.866 -3.080 1.00 1.18 H ATOM 93 HB2 ALA A 6 7.635 -3.169 -1.849 1.00 1.30 H ATOM 94 HB3 ALA A 6 7.715 -2.583 -3.509 1.00 1.29 H ATOM 95 N PHE A 7 5.115 -2.721 -0.305 1.00 0.47 N ATOM 96 CA PHE A 7 4.049 -3.290 0.555 1.00 0.56 C ATOM 97 C PHE A 7 3.110 -2.168 0.995 1.00 0.50 C ATOM 98 O PHE A 7 1.930 -2.371 1.203 1.00 0.56 O ATOM 99 CB PHE A 7 4.780 -3.945 1.742 1.00 0.74 C ATOM 100 CG PHE A 7 4.970 -2.959 2.876 1.00 1.41 C ATOM 101 CD1 PHE A 7 6.012 -2.029 2.831 1.00 2.03 C ATOM 102 CD2 PHE A 7 4.104 -2.982 3.975 1.00 2.31 C ATOM 103 CE1 PHE A 7 6.190 -1.121 3.881 1.00 3.16 C ATOM 104 CE2 PHE A 7 4.280 -2.075 5.027 1.00 3.50 C ATOM 105 CZ PHE A 7 5.323 -1.144 4.980 1.00 3.84 C ATOM 106 H PHE A 7 5.981 -2.497 0.075 1.00 0.48 H ATOM 107 HA PHE A 7 3.503 -4.031 0.006 1.00 0.62 H ATOM 108 HB2 PHE A 7 4.200 -4.784 2.096 1.00 1.52 H ATOM 109 HB3 PHE A 7 5.746 -4.297 1.412 1.00 1.21 H ATOM 110 HD1 PHE A 7 6.681 -2.011 1.986 1.00 2.00 H ATOM 111 HD2 PHE A 7 3.302 -3.701 4.012 1.00 2.34 H ATOM 112 HE1 PHE A 7 6.995 -0.402 3.844 1.00 3.70 H ATOM 113 HE2 PHE A 7 3.611 -2.094 5.874 1.00 4.29 H ATOM 114 HZ PHE A 7 5.460 -0.443 5.790 1.00 4.81 H ATOM 115 N TYR A 8 3.626 -0.976 1.107 1.00 0.51 N ATOM 116 CA TYR A 8 2.771 0.166 1.500 1.00 0.58 C ATOM 117 C TYR A 8 2.013 0.663 0.272 1.00 0.54 C ATOM 118 O TYR A 8 0.952 1.247 0.376 1.00 0.62 O ATOM 119 CB TYR A 8 3.735 1.235 2.016 1.00 0.67 C ATOM 120 CG TYR A 8 2.972 2.505 2.304 1.00 0.93 C ATOM 121 CD1 TYR A 8 2.195 2.607 3.464 1.00 1.38 C ATOM 122 CD2 TYR A 8 3.041 3.581 1.411 1.00 1.64 C ATOM 123 CE1 TYR A 8 1.487 3.785 3.731 1.00 1.76 C ATOM 124 CE2 TYR A 8 2.334 4.759 1.678 1.00 2.10 C ATOM 125 CZ TYR A 8 1.556 4.862 2.838 1.00 1.94 C ATOM 126 OH TYR A 8 0.859 6.023 3.101 1.00 2.50 O ATOM 127 H TYR A 8 4.569 -0.831 0.914 1.00 0.54 H ATOM 128 HA TYR A 8 2.090 -0.129 2.274 1.00 0.67 H ATOM 129 HB2 TYR A 8 4.208 0.885 2.922 1.00 0.89 H ATOM 130 HB3 TYR A 8 4.489 1.430 1.268 1.00 0.79 H ATOM 131 HD1 TYR A 8 2.141 1.777 4.153 1.00 1.86 H ATOM 132 HD2 TYR A 8 3.641 3.503 0.516 1.00 2.12 H ATOM 133 HE1 TYR A 8 0.887 3.864 4.626 1.00 2.29 H ATOM 134 HE2 TYR A 8 2.387 5.590 0.989 1.00 2.81 H ATOM 135 HH TYR A 8 1.010 6.258 4.019 1.00 2.61 H ATOM 136 N ASP A 9 2.543 0.415 -0.897 1.00 0.48 N ATOM 137 CA ASP A 9 1.846 0.851 -2.131 1.00 0.53 C ATOM 138 C ASP A 9 0.694 -0.111 -2.416 1.00 0.48 C ATOM 139 O ASP A 9 -0.394 0.288 -2.783 1.00 0.48 O ATOM 140 CB ASP A 9 2.901 0.778 -3.235 1.00 0.61 C ATOM 141 CG ASP A 9 2.217 0.853 -4.601 1.00 1.18 C ATOM 142 OD1 ASP A 9 1.864 1.949 -5.005 1.00 1.91 O ATOM 143 OD2 ASP A 9 2.058 -0.186 -5.220 1.00 1.82 O ATOM 144 H ASP A 9 3.392 -0.071 -0.961 1.00 0.46 H ATOM 145 HA ASP A 9 1.487 1.858 -2.023 1.00 0.63 H ATOM 146 HB2 ASP A 9 3.589 1.604 -3.130 1.00 0.89 H ATOM 147 HB3 ASP A 9 3.441 -0.153 -3.156 1.00 0.99 H ATOM 148 N LYS A 10 0.931 -1.381 -2.237 1.00 0.51 N ATOM 149 CA LYS A 10 -0.136 -2.385 -2.482 1.00 0.53 C ATOM 150 C LYS A 10 -1.216 -2.288 -1.400 1.00 0.46 C ATOM 151 O LYS A 10 -2.396 -2.331 -1.686 1.00 0.45 O ATOM 152 CB LYS A 10 0.567 -3.737 -2.415 1.00 0.64 C ATOM 153 CG LYS A 10 1.145 -4.083 -3.789 1.00 1.25 C ATOM 154 CD LYS A 10 1.437 -5.583 -3.857 1.00 1.74 C ATOM 155 CE LYS A 10 0.119 -6.359 -3.915 1.00 2.43 C ATOM 156 NZ LYS A 10 -0.366 -6.189 -5.313 1.00 3.13 N ATOM 157 H LYS A 10 1.814 -1.675 -1.938 1.00 0.57 H ATOM 158 HA LYS A 10 -0.563 -2.245 -3.456 1.00 0.57 H ATOM 159 HB2 LYS A 10 1.365 -3.690 -1.689 1.00 0.90 H ATOM 160 HB3 LYS A 10 -0.143 -4.496 -2.124 1.00 1.03 H ATOM 161 HG2 LYS A 10 0.431 -3.819 -4.556 1.00 1.90 H ATOM 162 HG3 LYS A 10 2.060 -3.532 -3.944 1.00 1.76 H ATOM 163 HD2 LYS A 10 2.021 -5.796 -4.741 1.00 2.19 H ATOM 164 HD3 LYS A 10 1.991 -5.883 -2.980 1.00 2.20 H ATOM 165 HE2 LYS A 10 0.290 -7.405 -3.698 1.00 2.78 H ATOM 166 HE3 LYS A 10 -0.595 -5.941 -3.222 1.00 2.87 H ATOM 167 HZ1 LYS A 10 -0.938 -7.013 -5.584 1.00 3.51 H ATOM 168 HZ2 LYS A 10 0.450 -6.105 -5.954 1.00 3.52 H ATOM 169 HZ3 LYS A 10 -0.948 -5.330 -5.376 1.00 3.46 H ATOM 170 N VAL A 11 -0.827 -2.159 -0.157 1.00 0.50 N ATOM 171 CA VAL A 11 -1.847 -2.065 0.924 1.00 0.51 C ATOM 172 C VAL A 11 -2.719 -0.826 0.717 1.00 0.46 C ATOM 173 O VAL A 11 -3.929 -0.884 0.806 1.00 0.46 O ATOM 174 CB VAL A 11 -1.054 -1.960 2.227 1.00 0.58 C ATOM 175 CG1 VAL A 11 -0.186 -3.207 2.399 1.00 1.35 C ATOM 176 CG2 VAL A 11 -0.159 -0.721 2.184 1.00 1.23 C ATOM 177 H VAL A 11 0.129 -2.127 0.065 1.00 0.56 H ATOM 178 HA VAL A 11 -2.456 -2.952 0.935 1.00 0.54 H ATOM 179 HB VAL A 11 -1.740 -1.881 3.057 1.00 1.25 H ATOM 180 HG11 VAL A 11 -0.735 -3.954 2.954 1.00 1.93 H ATOM 181 HG12 VAL A 11 0.714 -2.948 2.937 1.00 1.86 H ATOM 182 HG13 VAL A 11 0.076 -3.600 1.428 1.00 1.92 H ATOM 183 HG21 VAL A 11 0.439 -0.739 1.285 1.00 1.74 H ATOM 184 HG22 VAL A 11 0.489 -0.716 3.048 1.00 1.85 H ATOM 185 HG23 VAL A 11 -0.773 0.167 2.190 1.00 1.83 H ATOM 186 N ALA A 12 -2.116 0.295 0.434 1.00 0.46 N ATOM 187 CA ALA A 12 -2.913 1.530 0.215 1.00 0.47 C ATOM 188 C ALA A 12 -3.784 1.376 -1.022 1.00 0.42 C ATOM 189 O ALA A 12 -4.807 2.015 -1.155 1.00 0.42 O ATOM 190 CB ALA A 12 -1.891 2.640 0.023 1.00 0.55 C ATOM 191 H ALA A 12 -1.142 0.324 0.362 1.00 0.48 H ATOM 192 HA ALA A 12 -3.522 1.739 1.070 1.00 0.50 H ATOM 193 HB1 ALA A 12 -1.220 2.374 -0.778 1.00 1.11 H ATOM 194 HB2 ALA A 12 -1.331 2.771 0.937 1.00 1.22 H ATOM 195 HB3 ALA A 12 -2.403 3.558 -0.222 1.00 1.15 H ATOM 196 N GLU A 13 -3.400 0.522 -1.926 1.00 0.44 N ATOM 197 CA GLU A 13 -4.230 0.325 -3.138 1.00 0.46 C ATOM 198 C GLU A 13 -5.519 -0.385 -2.740 1.00 0.35 C ATOM 199 O GLU A 13 -6.582 -0.138 -3.282 1.00 0.33 O ATOM 200 CB GLU A 13 -3.390 -0.547 -4.071 1.00 0.60 C ATOM 201 CG GLU A 13 -4.219 -0.924 -5.301 1.00 1.30 C ATOM 202 CD GLU A 13 -3.287 -1.368 -6.429 1.00 1.64 C ATOM 203 OE1 GLU A 13 -2.254 -1.942 -6.126 1.00 2.15 O ATOM 204 OE2 GLU A 13 -3.622 -1.127 -7.577 1.00 2.30 O ATOM 205 H GLU A 13 -2.579 0.007 -1.801 1.00 0.47 H ATOM 206 HA GLU A 13 -4.446 1.269 -3.597 1.00 0.51 H ATOM 207 HB2 GLU A 13 -2.512 0.002 -4.382 1.00 0.90 H ATOM 208 HB3 GLU A 13 -3.089 -1.444 -3.553 1.00 0.98 H ATOM 209 HG2 GLU A 13 -4.890 -1.732 -5.048 1.00 1.91 H ATOM 210 HG3 GLU A 13 -4.792 -0.068 -5.625 1.00 1.95 H ATOM 211 N LYS A 14 -5.441 -1.242 -1.762 1.00 0.34 N ATOM 212 CA LYS A 14 -6.651 -1.937 -1.305 1.00 0.34 C ATOM 213 C LYS A 14 -7.386 -1.006 -0.366 1.00 0.28 C ATOM 214 O LYS A 14 -8.576 -1.088 -0.212 1.00 0.36 O ATOM 215 CB LYS A 14 -6.156 -3.185 -0.573 1.00 0.49 C ATOM 216 CG LYS A 14 -7.299 -3.780 0.252 1.00 1.22 C ATOM 217 CD LYS A 14 -6.789 -4.995 1.030 1.00 1.78 C ATOM 218 CE LYS A 14 -7.659 -6.211 0.705 1.00 2.48 C ATOM 219 NZ LYS A 14 -6.892 -7.380 1.219 1.00 3.13 N ATOM 220 H LYS A 14 -4.597 -1.402 -1.310 1.00 0.40 H ATOM 221 HA LYS A 14 -7.267 -2.206 -2.140 1.00 0.40 H ATOM 222 HB2 LYS A 14 -5.814 -3.913 -1.294 1.00 0.89 H ATOM 223 HB3 LYS A 14 -5.342 -2.918 0.084 1.00 0.93 H ATOM 224 HG2 LYS A 14 -7.668 -3.037 0.944 1.00 1.85 H ATOM 225 HG3 LYS A 14 -8.097 -4.086 -0.407 1.00 1.83 H ATOM 226 HD2 LYS A 14 -5.765 -5.197 0.751 1.00 2.27 H ATOM 227 HD3 LYS A 14 -6.841 -4.791 2.089 1.00 2.22 H ATOM 228 HE2 LYS A 14 -8.614 -6.134 1.206 1.00 2.84 H ATOM 229 HE3 LYS A 14 -7.797 -6.301 -0.361 1.00 2.91 H ATOM 230 HZ1 LYS A 14 -5.937 -7.377 0.808 1.00 3.50 H ATOM 231 HZ2 LYS A 14 -7.381 -8.259 0.954 1.00 3.43 H ATOM 232 HZ3 LYS A 14 -6.821 -7.321 2.254 1.00 3.49 H ATOM 233 N PHE A 15 -6.676 -0.096 0.241 1.00 0.28 N ATOM 234 CA PHE A 15 -7.338 0.863 1.156 1.00 0.39 C ATOM 235 C PHE A 15 -8.204 1.806 0.335 1.00 0.40 C ATOM 236 O PHE A 15 -9.256 2.237 0.761 1.00 0.50 O ATOM 237 CB PHE A 15 -6.206 1.617 1.847 1.00 0.56 C ATOM 238 CG PHE A 15 -6.652 2.045 3.224 1.00 1.22 C ATOM 239 CD1 PHE A 15 -7.607 3.059 3.368 1.00 2.02 C ATOM 240 CD2 PHE A 15 -6.112 1.427 4.359 1.00 1.82 C ATOM 241 CE1 PHE A 15 -8.021 3.455 4.645 1.00 2.82 C ATOM 242 CE2 PHE A 15 -6.526 1.824 5.636 1.00 2.61 C ATOM 243 CZ PHE A 15 -7.480 2.838 5.779 1.00 2.97 C ATOM 244 H PHE A 15 -5.712 -0.035 0.078 1.00 0.33 H ATOM 245 HA PHE A 15 -7.930 0.339 1.874 1.00 0.47 H ATOM 246 HB2 PHE A 15 -5.346 0.969 1.932 1.00 0.87 H ATOM 247 HB3 PHE A 15 -5.947 2.487 1.266 1.00 0.93 H ATOM 248 HD1 PHE A 15 -8.024 3.535 2.493 1.00 2.32 H ATOM 249 HD2 PHE A 15 -5.375 0.645 4.248 1.00 2.07 H ATOM 250 HE1 PHE A 15 -8.757 4.237 4.756 1.00 3.53 H ATOM 251 HE2 PHE A 15 -6.109 1.347 6.511 1.00 3.20 H ATOM 252 HZ PHE A 15 -7.800 3.143 6.765 1.00 3.67 H ATOM 253 N LYS A 16 -7.776 2.105 -0.857 1.00 0.41 N ATOM 254 CA LYS A 16 -8.583 2.990 -1.727 1.00 0.56 C ATOM 255 C LYS A 16 -9.726 2.170 -2.313 1.00 0.48 C ATOM 256 O LYS A 16 -10.789 2.678 -2.607 1.00 0.58 O ATOM 257 CB LYS A 16 -7.628 3.467 -2.821 1.00 0.78 C ATOM 258 CG LYS A 16 -8.393 4.331 -3.827 1.00 1.47 C ATOM 259 CD LYS A 16 -7.830 5.753 -3.809 1.00 2.00 C ATOM 260 CE LYS A 16 -8.119 6.434 -5.149 1.00 2.65 C ATOM 261 NZ LYS A 16 -7.943 7.890 -4.886 1.00 3.36 N ATOM 262 H LYS A 16 -6.937 1.728 -1.184 1.00 0.39 H ATOM 263 HA LYS A 16 -8.961 3.822 -1.164 1.00 0.68 H ATOM 264 HB2 LYS A 16 -6.835 4.050 -2.376 1.00 1.08 H ATOM 265 HB3 LYS A 16 -7.208 2.613 -3.329 1.00 1.12 H ATOM 266 HG2 LYS A 16 -8.283 3.912 -4.817 1.00 2.03 H ATOM 267 HG3 LYS A 16 -9.438 4.356 -3.559 1.00 1.99 H ATOM 268 HD2 LYS A 16 -8.295 6.314 -3.011 1.00 2.37 H ATOM 269 HD3 LYS A 16 -6.763 5.717 -3.650 1.00 2.48 H ATOM 270 HE2 LYS A 16 -7.418 6.097 -5.900 1.00 2.97 H ATOM 271 HE3 LYS A 16 -9.132 6.235 -5.461 1.00 3.01 H ATOM 272 HZ1 LYS A 16 -6.963 8.073 -4.592 1.00 3.74 H ATOM 273 HZ2 LYS A 16 -8.594 8.186 -4.130 1.00 3.66 H ATOM 274 HZ3 LYS A 16 -8.149 8.426 -5.752 1.00 3.75 H ATOM 275 N GLU A 17 -9.514 0.890 -2.455 1.00 0.41 N ATOM 276 CA GLU A 17 -10.586 0.014 -2.988 1.00 0.53 C ATOM 277 C GLU A 17 -11.352 -0.608 -1.819 1.00 0.53 C ATOM 278 O GLU A 17 -12.382 -1.231 -1.989 1.00 0.79 O ATOM 279 CB GLU A 17 -9.864 -1.061 -3.801 1.00 0.69 C ATOM 280 CG GLU A 17 -10.864 -2.137 -4.226 1.00 1.37 C ATOM 281 CD GLU A 17 -10.582 -3.429 -3.457 1.00 1.83 C ATOM 282 OE1 GLU A 17 -9.433 -3.650 -3.111 1.00 2.37 O ATOM 283 OE2 GLU A 17 -11.519 -4.176 -3.228 1.00 2.49 O ATOM 284 H GLU A 17 -8.654 0.501 -2.189 1.00 0.36 H ATOM 285 HA GLU A 17 -11.245 0.579 -3.615 1.00 0.63 H ATOM 286 HB2 GLU A 17 -9.422 -0.611 -4.678 1.00 1.03 H ATOM 287 HB3 GLU A 17 -9.090 -1.510 -3.197 1.00 1.07 H ATOM 288 HG2 GLU A 17 -11.868 -1.801 -4.010 1.00 2.02 H ATOM 289 HG3 GLU A 17 -10.766 -2.322 -5.285 1.00 1.92 H ATOM 290 N ALA A 18 -10.846 -0.433 -0.629 1.00 0.58 N ATOM 291 CA ALA A 18 -11.509 -0.990 0.572 1.00 0.77 C ATOM 292 C ALA A 18 -12.303 0.113 1.268 1.00 0.79 C ATOM 293 O ALA A 18 -13.185 -0.143 2.063 1.00 0.95 O ATOM 294 CB ALA A 18 -10.358 -1.467 1.458 1.00 1.00 C ATOM 295 H ALA A 18 -10.022 0.071 -0.523 1.00 0.69 H ATOM 296 HA ALA A 18 -12.142 -1.813 0.305 1.00 0.88 H ATOM 297 HB1 ALA A 18 -9.650 -0.658 1.590 1.00 1.45 H ATOM 298 HB2 ALA A 18 -9.859 -2.299 0.981 1.00 1.47 H ATOM 299 HB3 ALA A 18 -10.738 -1.774 2.417 1.00 1.49 H ATOM 300 N PHE A 19 -11.990 1.343 0.967 1.00 0.77 N ATOM 301 CA PHE A 19 -12.716 2.475 1.598 1.00 1.02 C ATOM 302 C PHE A 19 -12.690 3.699 0.679 1.00 1.74 C ATOM 303 O PHE A 19 -12.695 4.824 1.138 1.00 2.41 O ATOM 304 CB PHE A 19 -11.962 2.761 2.896 1.00 1.68 C ATOM 305 CG PHE A 19 -12.110 1.589 3.836 1.00 2.49 C ATOM 306 CD1 PHE A 19 -13.179 1.547 4.739 1.00 2.98 C ATOM 307 CD2 PHE A 19 -11.178 0.544 3.806 1.00 3.17 C ATOM 308 CE1 PHE A 19 -13.316 0.461 5.612 1.00 3.94 C ATOM 309 CE2 PHE A 19 -11.315 -0.542 4.678 1.00 4.11 C ATOM 310 CZ PHE A 19 -12.384 -0.584 5.581 1.00 4.44 C ATOM 311 H PHE A 19 -11.277 1.522 0.322 1.00 0.68 H ATOM 312 HA PHE A 19 -13.725 2.190 1.815 1.00 1.47 H ATOM 313 HB2 PHE A 19 -10.916 2.916 2.676 1.00 2.09 H ATOM 314 HB3 PHE A 19 -12.369 3.646 3.359 1.00 1.98 H ATOM 315 HD1 PHE A 19 -13.898 2.353 4.763 1.00 2.83 H ATOM 316 HD2 PHE A 19 -10.354 0.576 3.109 1.00 3.15 H ATOM 317 HE1 PHE A 19 -14.141 0.429 6.309 1.00 4.43 H ATOM 318 HE2 PHE A 19 -10.597 -1.348 4.655 1.00 4.72 H ATOM 319 HZ PHE A 19 -12.490 -1.421 6.255 1.00 5.24 H HETATM 320 N NH2 A 20 -12.663 3.525 -0.614 1.00 2.52 N HETATM 321 HN1 NH2 A 20 -12.646 4.301 -1.213 1.00 3.26 H HETATM 322 HN2 NH2 A 20 -12.659 2.619 -0.987 1.00 2.72 H TER 323 NH2 A 20 ENDMDL MODEL 2 HETATM 1 C ACE A 1 12.237 -0.757 -0.712 1.00 0.00 C HETATM 2 O ACE A 1 11.239 -0.068 -0.674 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.252 -0.746 0.421 1.00 0.00 C HETATM 4 H1 ACE A 1 13.945 0.065 0.275 1.00 0.00 H HETATM 5 H2 ACE A 1 13.785 -1.686 0.429 1.00 0.00 H HETATM 6 H3 ACE A 1 12.734 -0.621 1.360 1.00 0.00 H ATOM 7 N ASP A 2 12.455 -1.574 -1.696 1.00 0.00 N ATOM 8 CA ASP A 2 11.475 -1.669 -2.788 1.00 0.00 C ATOM 9 C ASP A 2 10.293 -2.390 -2.188 1.00 0.00 C ATOM 10 O ASP A 2 9.148 -2.103 -2.462 1.00 0.00 O ATOM 11 CB ASP A 2 12.147 -2.507 -3.869 1.00 0.00 C ATOM 12 CG ASP A 2 11.932 -1.857 -5.237 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.830 -0.642 -5.285 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.874 -2.586 -6.213 1.00 0.00 O ATOM 15 H ASP A 2 13.227 -2.155 -1.688 1.00 0.00 H ATOM 16 HA ASP A 2 11.206 -0.699 -3.158 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.204 -2.570 -3.663 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.718 -3.495 -3.872 1.00 0.00 H ATOM 19 N TRP A 3 10.606 -3.306 -1.311 1.00 0.00 N ATOM 20 CA TRP A 3 9.568 -4.070 -0.594 1.00 0.00 C ATOM 21 C TRP A 3 8.848 -3.130 0.378 1.00 0.00 C ATOM 22 O TRP A 3 7.766 -3.409 0.845 1.00 0.00 O ATOM 23 CB TRP A 3 10.352 -5.128 0.190 1.00 0.00 C ATOM 24 CG TRP A 3 11.325 -4.400 1.050 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.975 -3.582 2.058 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.780 -4.395 1.004 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.095 -3.007 2.580 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.248 -3.499 1.994 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.729 -5.058 0.204 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.611 -3.267 2.185 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.102 -4.833 0.399 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.542 -3.940 1.387 1.00 0.00 C ATOM 33 H TRP A 3 11.546 -3.470 -1.103 1.00 0.00 H ATOM 34 HA TRP A 3 8.894 -4.528 -1.277 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.677 -5.706 0.803 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.880 -5.778 -0.492 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.964 -3.362 2.363 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.088 -2.348 3.289 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.399 -5.747 -0.559 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.945 -2.578 2.946 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.823 -5.351 -0.217 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.599 -3.771 1.531 1.00 0.00 H ATOM 43 N PHE A 4 9.478 -2.020 0.703 1.00 0.00 N ATOM 44 CA PHE A 4 8.886 -1.051 1.663 1.00 0.00 C ATOM 45 C PHE A 4 7.841 -0.236 0.936 1.00 0.00 C ATOM 46 O PHE A 4 6.678 -0.248 1.276 1.00 0.00 O ATOM 47 CB PHE A 4 10.058 -0.173 2.100 1.00 0.00 C ATOM 48 CG PHE A 4 9.581 0.889 3.062 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.943 2.038 2.579 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.789 0.731 4.438 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.515 3.029 3.471 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.358 1.721 5.330 1.00 0.00 C ATOM 53 CZ PHE A 4 8.722 2.870 4.846 1.00 0.00 C ATOM 54 H PHE A 4 10.356 -1.833 0.322 1.00 0.00 H ATOM 55 HA PHE A 4 8.464 -1.562 2.508 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.803 -0.785 2.583 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.490 0.301 1.233 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.782 2.160 1.518 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.280 -0.156 4.811 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.023 3.915 3.097 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.518 1.598 6.391 1.00 0.00 H ATOM 62 HZ PHE A 4 8.392 3.634 5.533 1.00 0.00 H ATOM 63 N LYS A 5 8.243 0.430 -0.100 1.00 0.00 N ATOM 64 CA LYS A 5 7.259 1.191 -0.890 1.00 0.00 C ATOM 65 C LYS A 5 6.380 0.179 -1.622 1.00 0.00 C ATOM 66 O LYS A 5 5.380 0.519 -2.223 1.00 0.00 O ATOM 67 CB LYS A 5 8.072 2.025 -1.876 1.00 0.00 C ATOM 68 CG LYS A 5 7.503 3.443 -1.930 1.00 0.00 C ATOM 69 CD LYS A 5 8.577 4.411 -2.434 1.00 0.00 C ATOM 70 CE LYS A 5 9.091 5.256 -1.267 1.00 0.00 C ATOM 71 NZ LYS A 5 10.565 5.030 -1.250 1.00 0.00 N ATOM 72 H LYS A 5 9.179 0.390 -0.379 1.00 0.00 H ATOM 73 HA LYS A 5 6.673 1.826 -0.256 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.101 2.060 -1.550 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.016 1.577 -2.855 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.655 3.464 -2.601 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.187 3.742 -0.942 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.395 3.850 -2.861 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.152 5.059 -3.185 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.871 6.303 -1.435 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.655 4.923 -0.338 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.759 4.011 -1.207 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.976 5.498 -0.416 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.986 5.425 -2.114 1.00 0.00 H ATOM 85 N ALA A 6 6.758 -1.079 -1.567 1.00 0.00 N ATOM 86 CA ALA A 6 5.963 -2.132 -2.250 1.00 0.00 C ATOM 87 C ALA A 6 4.762 -2.542 -1.393 1.00 0.00 C ATOM 88 O ALA A 6 3.673 -2.737 -1.895 1.00 0.00 O ATOM 89 CB ALA A 6 6.938 -3.287 -2.417 1.00 0.00 C ATOM 90 H ALA A 6 7.576 -1.335 -1.072 1.00 0.00 H ATOM 91 HA ALA A 6 5.639 -1.790 -3.209 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.398 -4.215 -2.481 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.601 -3.309 -1.569 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.518 -3.139 -3.319 1.00 0.00 H ATOM 95 N PHE A 7 4.941 -2.664 -0.105 1.00 0.00 N ATOM 96 CA PHE A 7 3.799 -3.047 0.763 1.00 0.00 C ATOM 97 C PHE A 7 2.968 -1.804 1.074 1.00 0.00 C ATOM 98 O PHE A 7 1.755 -1.850 1.137 1.00 0.00 O ATOM 99 CB PHE A 7 4.418 -3.664 2.029 1.00 0.00 C ATOM 100 CG PHE A 7 4.902 -2.590 2.985 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.981 -1.770 3.650 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.275 -2.425 3.220 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.428 -0.787 4.540 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.720 -1.441 4.111 1.00 0.00 C ATOM 105 CZ PHE A 7 5.798 -0.622 4.770 1.00 0.00 C ATOM 106 H PHE A 7 5.815 -2.496 0.286 1.00 0.00 H ATOM 107 HA PHE A 7 3.194 -3.778 0.258 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.674 -4.269 2.526 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.252 -4.291 1.748 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.926 -1.895 3.472 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.992 -3.055 2.716 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.716 -0.157 5.051 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.778 -1.312 4.288 1.00 0.00 H ATOM 114 HZ PHE A 7 6.142 0.136 5.457 1.00 0.00 H ATOM 115 N TYR A 8 3.617 -0.686 1.247 1.00 0.00 N ATOM 116 CA TYR A 8 2.878 0.571 1.526 1.00 0.00 C ATOM 117 C TYR A 8 2.107 0.981 0.272 1.00 0.00 C ATOM 118 O TYR A 8 1.080 1.627 0.339 1.00 0.00 O ATOM 119 CB TYR A 8 3.956 1.601 1.865 1.00 0.00 C ATOM 120 CG TYR A 8 3.325 2.960 2.073 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.953 3.065 2.337 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.114 4.113 2.007 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.372 4.323 2.534 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.534 5.372 2.204 1.00 0.00 C ATOM 125 CZ TYR A 8 2.163 5.478 2.466 1.00 0.00 C ATOM 126 OH TYR A 8 1.590 6.718 2.659 1.00 0.00 O ATOM 127 H TYR A 8 4.588 -0.672 1.177 1.00 0.00 H ATOM 128 HA TYR A 8 2.213 0.439 2.361 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.467 1.301 2.769 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.667 1.656 1.054 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.342 2.176 2.388 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.172 4.033 1.804 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.314 4.404 2.736 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.143 6.262 2.152 1.00 0.00 H ATOM 135 HH TYR A 8 1.975 7.102 3.450 1.00 0.00 H ATOM 136 N ASP A 9 2.595 0.591 -0.874 1.00 0.00 N ATOM 137 CA ASP A 9 1.898 0.932 -2.141 1.00 0.00 C ATOM 138 C ASP A 9 0.643 0.068 -2.279 1.00 0.00 C ATOM 139 O ASP A 9 -0.455 0.566 -2.432 1.00 0.00 O ATOM 140 CB ASP A 9 2.906 0.603 -3.246 1.00 0.00 C ATOM 141 CG ASP A 9 2.174 0.444 -4.581 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.468 1.364 -4.960 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.332 -0.595 -5.200 1.00 0.00 O ATOM 144 H ASP A 9 3.415 0.063 -0.901 1.00 0.00 H ATOM 145 HA ASP A 9 1.649 1.977 -2.163 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.628 1.403 -3.322 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.414 -0.318 -3.005 1.00 0.00 H ATOM 148 N LYS A 10 0.802 -1.226 -2.224 1.00 0.00 N ATOM 149 CA LYS A 10 -0.380 -2.127 -2.349 1.00 0.00 C ATOM 150 C LYS A 10 -1.446 -1.767 -1.310 1.00 0.00 C ATOM 151 O LYS A 10 -2.603 -1.581 -1.633 1.00 0.00 O ATOM 152 CB LYS A 10 0.165 -3.527 -2.090 1.00 0.00 C ATOM 153 CG LYS A 10 0.045 -4.360 -3.365 1.00 0.00 C ATOM 154 CD LYS A 10 0.852 -3.694 -4.480 1.00 0.00 C ATOM 155 CE LYS A 10 0.881 -4.607 -5.707 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.269 -4.172 -6.553 1.00 0.00 N ATOM 157 H LYS A 10 1.699 -1.605 -2.103 1.00 0.00 H ATOM 158 HA LYS A 10 -0.788 -2.077 -3.341 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.202 -3.459 -1.799 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.405 -3.993 -1.303 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.427 -5.354 -3.183 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.992 -4.420 -3.661 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.394 -2.751 -4.741 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.862 -3.521 -4.138 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.813 -4.482 -6.243 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.753 -5.638 -5.413 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.970 -4.937 -6.604 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.072 -3.950 -7.511 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.711 -3.328 -6.138 1.00 0.00 H ATOM 170 N VAL A 11 -1.069 -1.676 -0.062 1.00 0.00 N ATOM 171 CA VAL A 11 -2.068 -1.337 0.994 1.00 0.00 C ATOM 172 C VAL A 11 -2.841 -0.070 0.617 1.00 0.00 C ATOM 173 O VAL A 11 -4.052 -0.027 0.702 1.00 0.00 O ATOM 174 CB VAL A 11 -1.250 -1.117 2.266 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.517 -2.408 2.634 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.227 -0.007 2.027 1.00 0.00 C ATOM 177 H VAL A 11 -0.133 -1.835 0.182 1.00 0.00 H ATOM 178 HA VAL A 11 -2.751 -2.158 1.136 1.00 0.00 H ATOM 179 HB VAL A 11 -1.909 -0.833 3.074 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.388 -3.014 1.749 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.095 -2.956 3.364 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.450 -2.166 3.049 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.304 -0.205 1.110 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.472 0.021 2.849 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.735 0.942 1.952 1.00 0.00 H ATOM 186 N ALA A 12 -2.160 0.961 0.196 1.00 0.00 N ATOM 187 CA ALA A 12 -2.877 2.208 -0.185 1.00 0.00 C ATOM 188 C ALA A 12 -3.901 1.902 -1.271 1.00 0.00 C ATOM 189 O ALA A 12 -4.930 2.540 -1.368 1.00 0.00 O ATOM 190 CB ALA A 12 -1.800 3.151 -0.705 1.00 0.00 C ATOM 191 H ALA A 12 -1.185 0.915 0.127 1.00 0.00 H ATOM 192 HA ALA A 12 -3.359 2.640 0.668 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.878 3.226 -1.778 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.828 2.767 -0.438 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.938 4.128 -0.263 1.00 0.00 H ATOM 196 N GLU A 13 -3.635 0.917 -2.082 1.00 0.00 N ATOM 197 CA GLU A 13 -4.603 0.562 -3.146 1.00 0.00 C ATOM 198 C GLU A 13 -5.723 -0.275 -2.539 1.00 0.00 C ATOM 199 O GLU A 13 -6.820 -0.334 -3.054 1.00 0.00 O ATOM 200 CB GLU A 13 -3.808 -0.244 -4.173 1.00 0.00 C ATOM 201 CG GLU A 13 -2.486 0.467 -4.467 1.00 0.00 C ATOM 202 CD GLU A 13 -2.326 0.650 -5.978 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.619 -0.287 -6.703 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.914 1.724 -6.384 1.00 0.00 O ATOM 205 H GLU A 13 -2.810 0.407 -1.983 1.00 0.00 H ATOM 206 HA GLU A 13 -5.000 1.453 -3.594 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.609 -1.230 -3.780 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.379 -0.328 -5.085 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.483 1.434 -3.984 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.667 -0.127 -4.089 1.00 0.00 H ATOM 211 N LYS A 14 -5.456 -0.905 -1.432 1.00 0.00 N ATOM 212 CA LYS A 14 -6.498 -1.716 -0.779 1.00 0.00 C ATOM 213 C LYS A 14 -7.318 -0.817 0.125 1.00 0.00 C ATOM 214 O LYS A 14 -8.457 -1.082 0.417 1.00 0.00 O ATOM 215 CB LYS A 14 -5.746 -2.771 0.026 1.00 0.00 C ATOM 216 CG LYS A 14 -6.332 -4.155 -0.258 1.00 0.00 C ATOM 217 CD LYS A 14 -6.107 -5.061 0.954 1.00 0.00 C ATOM 218 CE LYS A 14 -7.398 -5.822 1.271 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.636 -6.704 0.091 1.00 0.00 N ATOM 220 H LYS A 14 -4.580 -0.831 -1.022 1.00 0.00 H ATOM 221 HA LYS A 14 -7.118 -2.176 -1.512 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.705 -2.755 -0.254 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.842 -2.551 1.078 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.391 -4.067 -0.453 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.841 -4.583 -1.119 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.317 -5.765 0.735 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.827 -4.460 1.806 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.271 -6.415 2.167 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.220 -5.134 1.389 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -8.530 -6.435 -0.368 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.694 -7.694 0.406 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.856 -6.602 -0.589 1.00 0.00 H ATOM 233 N PHE A 15 -6.755 0.268 0.551 1.00 0.00 N ATOM 234 CA PHE A 15 -7.526 1.185 1.409 1.00 0.00 C ATOM 235 C PHE A 15 -8.372 2.082 0.520 1.00 0.00 C ATOM 236 O PHE A 15 -9.449 2.510 0.884 1.00 0.00 O ATOM 237 CB PHE A 15 -6.487 1.994 2.184 1.00 0.00 C ATOM 238 CG PHE A 15 -7.185 2.858 3.204 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.985 3.928 2.786 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.031 2.591 4.571 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.632 4.731 3.733 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.679 3.395 5.518 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.480 4.464 5.099 1.00 0.00 C ATOM 244 H PHE A 15 -5.839 0.488 0.290 1.00 0.00 H ATOM 245 HA PHE A 15 -8.145 0.627 2.079 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.809 1.319 2.684 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.937 2.618 1.499 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.103 4.133 1.733 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.414 1.766 4.894 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.249 5.556 3.410 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.562 3.189 6.571 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.979 5.084 5.829 1.00 0.00 H ATOM 253 N LYS A 16 -7.897 2.343 -0.664 1.00 0.00 N ATOM 254 CA LYS A 16 -8.671 3.195 -1.597 1.00 0.00 C ATOM 255 C LYS A 16 -9.685 2.335 -2.345 1.00 0.00 C ATOM 256 O LYS A 16 -10.689 2.817 -2.831 1.00 0.00 O ATOM 257 CB LYS A 16 -7.641 3.786 -2.557 1.00 0.00 C ATOM 258 CG LYS A 16 -7.163 5.140 -2.026 1.00 0.00 C ATOM 259 CD LYS A 16 -6.536 5.946 -3.167 1.00 0.00 C ATOM 260 CE LYS A 16 -5.323 6.726 -2.642 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.763 8.150 -2.559 1.00 0.00 N ATOM 262 H LYS A 16 -7.037 1.963 -0.941 1.00 0.00 H ATOM 263 HA LYS A 16 -9.163 3.977 -1.060 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.801 3.114 -2.640 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.093 3.922 -3.526 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.004 5.685 -1.621 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.427 4.986 -1.252 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.219 5.269 -3.949 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.265 6.635 -3.565 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.043 6.361 -1.664 1.00 0.00 H ATOM 271 HE3 LYS A 16 -4.495 6.635 -3.327 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.069 8.753 -3.046 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.827 8.435 -1.560 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.691 8.262 -3.011 1.00 0.00 H ATOM 275 N GLU A 17 -9.436 1.058 -2.427 1.00 0.00 N ATOM 276 CA GLU A 17 -10.389 0.161 -3.124 1.00 0.00 C ATOM 277 C GLU A 17 -11.243 -0.568 -2.091 1.00 0.00 C ATOM 278 O GLU A 17 -12.456 -0.524 -2.126 1.00 0.00 O ATOM 279 CB GLU A 17 -9.524 -0.819 -3.911 1.00 0.00 C ATOM 280 CG GLU A 17 -10.252 -1.234 -5.192 1.00 0.00 C ATOM 281 CD GLU A 17 -11.191 -2.404 -4.894 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.682 -2.475 -3.780 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.404 -3.209 -5.785 1.00 0.00 O ATOM 284 H GLU A 17 -8.630 0.688 -2.015 1.00 0.00 H ATOM 285 HA GLU A 17 -11.003 0.727 -3.789 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.589 -0.342 -4.168 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.332 -1.692 -3.310 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.824 -0.398 -5.567 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.528 -1.536 -5.934 1.00 0.00 H ATOM 290 N ALA A 18 -10.610 -1.223 -1.160 1.00 0.00 N ATOM 291 CA ALA A 18 -11.372 -1.941 -0.109 1.00 0.00 C ATOM 292 C ALA A 18 -12.078 -0.924 0.787 1.00 0.00 C ATOM 293 O ALA A 18 -13.046 -1.233 1.454 1.00 0.00 O ATOM 294 CB ALA A 18 -10.317 -2.719 0.676 1.00 0.00 C ATOM 295 H ALA A 18 -9.633 -1.234 -1.147 1.00 0.00 H ATOM 296 HA ALA A 18 -12.081 -2.618 -0.553 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.946 -2.104 1.484 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.498 -2.975 0.017 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.753 -3.619 1.076 1.00 0.00 H ATOM 300 N PHE A 19 -11.602 0.295 0.803 1.00 0.00 N ATOM 301 CA PHE A 19 -12.244 1.335 1.646 1.00 0.00 C ATOM 302 C PHE A 19 -12.529 2.591 0.818 1.00 0.00 C ATOM 303 O PHE A 19 -12.252 3.694 1.244 1.00 0.00 O ATOM 304 CB PHE A 19 -11.237 1.635 2.750 1.00 0.00 C ATOM 305 CG PHE A 19 -11.716 1.022 4.042 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.420 -0.315 4.335 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.459 1.789 4.946 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.868 -0.884 5.532 1.00 0.00 C ATOM 309 CE2 PHE A 19 -12.907 1.221 6.144 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.612 -0.117 6.437 1.00 0.00 C ATOM 311 H PHE A 19 -10.826 0.527 0.257 1.00 0.00 H ATOM 312 HA PHE A 19 -13.145 0.953 2.071 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.278 1.218 2.485 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.148 2.703 2.872 1.00 0.00 H ATOM 315 HD1 PHE A 19 -10.847 -0.907 3.636 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.687 2.821 4.720 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.640 -1.915 5.759 1.00 0.00 H ATOM 318 HE2 PHE A 19 -13.480 1.813 6.841 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.957 -0.555 7.361 1.00 0.00 H HETATM 320 N NH2 A 20 -13.078 2.469 -0.360 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.264 3.267 -0.898 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.302 1.580 -0.708 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 3 HETATM 1 C ACE A 1 12.152 -0.902 -0.653 1.00 0.00 C HETATM 2 O ACE A 1 11.147 -0.225 -0.748 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.108 -0.737 0.516 1.00 0.00 C HETATM 4 H1 ACE A 1 14.106 -0.574 0.145 1.00 0.00 H HETATM 5 H2 ACE A 1 13.088 -1.633 1.114 1.00 0.00 H HETATM 6 H3 ACE A 1 12.797 0.102 1.117 1.00 0.00 H ATOM 7 N ASP A 2 12.423 -1.833 -1.517 1.00 0.00 N ATOM 8 CA ASP A 2 11.495 -2.068 -2.633 1.00 0.00 C ATOM 9 C ASP A 2 10.244 -2.616 -1.994 1.00 0.00 C ATOM 10 O ASP A 2 9.140 -2.270 -2.342 1.00 0.00 O ATOM 11 CB ASP A 2 12.168 -3.107 -3.526 1.00 0.00 C ATOM 12 CG ASP A 2 11.867 -2.790 -4.992 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.970 -2.000 -5.234 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.540 -3.341 -5.848 1.00 0.00 O ATOM 15 H ASP A 2 13.198 -2.401 -1.399 1.00 0.00 H ATOM 16 HA ASP A 2 11.300 -1.163 -3.173 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.235 -3.080 -3.362 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.788 -4.086 -3.286 1.00 0.00 H ATOM 19 N TRP A 3 10.451 -3.439 -1.001 1.00 0.00 N ATOM 20 CA TRP A 3 9.329 -4.021 -0.238 1.00 0.00 C ATOM 21 C TRP A 3 8.656 -2.917 0.585 1.00 0.00 C ATOM 22 O TRP A 3 7.556 -3.073 1.068 1.00 0.00 O ATOM 23 CB TRP A 3 9.991 -5.033 0.702 1.00 0.00 C ATOM 24 CG TRP A 3 10.975 -4.290 1.533 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.650 -3.321 2.411 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.423 -4.420 1.585 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.790 -2.791 2.933 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.919 -3.454 2.491 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.344 -5.258 0.936 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.283 -3.323 2.743 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.719 -5.135 1.192 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.187 -4.168 2.096 1.00 0.00 C ATOM 33 H TRP A 3 11.368 -3.649 -0.737 1.00 0.00 H ATOM 34 HA TRP A 3 8.644 -4.508 -0.885 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.242 -5.487 1.336 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.498 -5.792 0.127 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.652 -2.971 2.621 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.808 -2.051 3.554 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.992 -6.004 0.238 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.638 -2.578 3.441 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.421 -5.787 0.693 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.246 -4.078 2.291 1.00 0.00 H ATOM 43 N PHE A 4 9.348 -1.812 0.779 1.00 0.00 N ATOM 44 CA PHE A 4 8.802 -0.700 1.599 1.00 0.00 C ATOM 45 C PHE A 4 7.742 0.018 0.806 1.00 0.00 C ATOM 46 O PHE A 4 6.589 0.057 1.173 1.00 0.00 O ATOM 47 CB PHE A 4 9.991 0.220 1.858 1.00 0.00 C ATOM 48 CG PHE A 4 10.066 0.554 3.329 1.00 0.00 C ATOM 49 CD1 PHE A 4 10.032 -0.470 4.283 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.175 1.889 3.738 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.106 -0.160 5.646 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.250 2.198 5.102 1.00 0.00 C ATOM 53 CZ PHE A 4 10.216 1.174 6.056 1.00 0.00 C ATOM 54 H PHE A 4 10.239 -1.725 0.395 1.00 0.00 H ATOM 55 HA PHE A 4 8.411 -1.068 2.525 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.899 -0.279 1.556 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.870 1.128 1.290 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.947 -1.500 3.968 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.200 2.680 3.003 1.00 0.00 H ATOM 60 HE1 PHE A 4 10.080 -0.950 6.383 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.334 3.228 5.417 1.00 0.00 H ATOM 62 HZ PHE A 4 10.275 1.414 7.108 1.00 0.00 H ATOM 63 N LYS A 5 8.120 0.550 -0.307 1.00 0.00 N ATOM 64 CA LYS A 5 7.121 1.220 -1.153 1.00 0.00 C ATOM 65 C LYS A 5 6.279 0.135 -1.817 1.00 0.00 C ATOM 66 O LYS A 5 5.273 0.402 -2.445 1.00 0.00 O ATOM 67 CB LYS A 5 7.921 2.008 -2.183 1.00 0.00 C ATOM 68 CG LYS A 5 7.094 3.199 -2.666 1.00 0.00 C ATOM 69 CD LYS A 5 7.115 3.244 -4.194 1.00 0.00 C ATOM 70 CE LYS A 5 5.914 2.469 -4.743 1.00 0.00 C ATOM 71 NZ LYS A 5 6.127 2.407 -6.218 1.00 0.00 N ATOM 72 H LYS A 5 9.052 0.471 -0.598 1.00 0.00 H ATOM 73 HA LYS A 5 6.512 1.879 -0.567 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.834 2.365 -1.729 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.156 1.371 -3.020 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.074 3.094 -2.322 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.515 4.113 -2.275 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.065 4.271 -4.525 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.027 2.792 -4.554 1.00 0.00 H ATOM 80 HE2 LYS A 5 5.889 1.472 -4.323 1.00 0.00 H ATOM 81 HE3 LYS A 5 4.997 2.993 -4.523 1.00 0.00 H ATOM 82 HZ1 LYS A 5 7.062 2.792 -6.456 1.00 0.00 H ATOM 83 HZ2 LYS A 5 5.390 2.965 -6.697 1.00 0.00 H ATOM 84 HZ3 LYS A 5 6.071 1.418 -6.535 1.00 0.00 H ATOM 85 N ALA A 6 6.687 -1.103 -1.670 1.00 0.00 N ATOM 86 CA ALA A 6 5.917 -2.213 -2.288 1.00 0.00 C ATOM 87 C ALA A 6 4.736 -2.607 -1.402 1.00 0.00 C ATOM 88 O ALA A 6 3.704 -3.038 -1.878 1.00 0.00 O ATOM 89 CB ALA A 6 6.913 -3.352 -2.384 1.00 0.00 C ATOM 90 H ALA A 6 7.507 -1.305 -1.147 1.00 0.00 H ATOM 91 HA ALA A 6 5.586 -1.941 -3.267 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.515 -3.229 -3.274 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.392 -4.293 -2.423 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.548 -3.326 -1.519 1.00 0.00 H ATOM 95 N PHE A 7 4.879 -2.461 -0.114 1.00 0.00 N ATOM 96 CA PHE A 7 3.773 -2.828 0.800 1.00 0.00 C ATOM 97 C PHE A 7 2.929 -1.593 1.113 1.00 0.00 C ATOM 98 O PHE A 7 1.717 -1.654 1.172 1.00 0.00 O ATOM 99 CB PHE A 7 4.463 -3.407 2.051 1.00 0.00 C ATOM 100 CG PHE A 7 4.702 -2.339 3.102 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.622 -1.802 3.814 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.005 -1.899 3.376 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.842 -0.827 4.794 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.224 -0.927 4.359 1.00 0.00 C ATOM 105 CZ PHE A 7 5.143 -0.390 5.067 1.00 0.00 C ATOM 106 H PHE A 7 5.710 -2.115 0.248 1.00 0.00 H ATOM 107 HA PHE A 7 3.164 -3.577 0.339 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.841 -4.182 2.472 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.413 -3.835 1.762 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.619 -2.139 3.604 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.841 -2.309 2.833 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.007 -0.415 5.342 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.228 -0.589 4.570 1.00 0.00 H ATOM 114 HZ PHE A 7 5.312 0.360 5.825 1.00 0.00 H ATOM 115 N TYR A 8 3.560 -0.473 1.298 1.00 0.00 N ATOM 116 CA TYR A 8 2.806 0.771 1.589 1.00 0.00 C ATOM 117 C TYR A 8 2.020 1.197 0.349 1.00 0.00 C ATOM 118 O TYR A 8 0.981 1.821 0.443 1.00 0.00 O ATOM 119 CB TYR A 8 3.876 1.804 1.926 1.00 0.00 C ATOM 120 CG TYR A 8 3.308 2.856 2.849 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.363 3.773 2.373 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.734 2.919 4.181 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.844 4.753 3.229 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.217 3.899 5.036 1.00 0.00 C ATOM 125 CZ TYR A 8 2.273 4.816 4.561 1.00 0.00 C ATOM 126 OH TYR A 8 1.766 5.784 5.406 1.00 0.00 O ATOM 127 H TYR A 8 4.532 -0.448 1.234 1.00 0.00 H ATOM 128 HA TYR A 8 2.152 0.626 2.425 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.705 1.314 2.411 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.215 2.274 1.017 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.033 3.724 1.346 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.461 2.211 4.548 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.115 5.461 2.861 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.547 3.947 6.062 1.00 0.00 H ATOM 135 HH TYR A 8 2.498 6.158 5.903 1.00 0.00 H ATOM 136 N ASP A 9 2.506 0.861 -0.818 1.00 0.00 N ATOM 137 CA ASP A 9 1.781 1.245 -2.057 1.00 0.00 C ATOM 138 C ASP A 9 0.669 0.233 -2.341 1.00 0.00 C ATOM 139 O ASP A 9 -0.488 0.583 -2.460 1.00 0.00 O ATOM 140 CB ASP A 9 2.836 1.225 -3.162 1.00 0.00 C ATOM 141 CG ASP A 9 2.302 1.954 -4.396 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.619 1.321 -5.185 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.588 3.131 -4.534 1.00 0.00 O ATOM 144 H ASP A 9 3.342 0.353 -0.878 1.00 0.00 H ATOM 145 HA ASP A 9 1.377 2.232 -1.957 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.726 1.723 -2.810 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.069 0.204 -3.420 1.00 0.00 H ATOM 148 N LYS A 10 1.012 -1.023 -2.440 1.00 0.00 N ATOM 149 CA LYS A 10 -0.026 -2.058 -2.701 1.00 0.00 C ATOM 150 C LYS A 10 -1.118 -1.987 -1.631 1.00 0.00 C ATOM 151 O LYS A 10 -2.297 -2.051 -1.923 1.00 0.00 O ATOM 152 CB LYS A 10 0.722 -3.386 -2.620 1.00 0.00 C ATOM 153 CG LYS A 10 -0.037 -4.454 -3.409 1.00 0.00 C ATOM 154 CD LYS A 10 -0.786 -5.365 -2.434 1.00 0.00 C ATOM 155 CE LYS A 10 -1.896 -6.112 -3.176 1.00 0.00 C ATOM 156 NZ LYS A 10 -3.099 -5.243 -3.043 1.00 0.00 N ATOM 157 H LYS A 10 1.949 -1.287 -2.334 1.00 0.00 H ATOM 158 HA LYS A 10 -0.446 -1.933 -3.683 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.711 -3.264 -3.037 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.799 -3.690 -1.589 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.743 -3.977 -4.074 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.662 -5.043 -3.985 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.096 -6.079 -2.007 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.221 -4.769 -1.647 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.632 -6.237 -4.218 1.00 0.00 H ATOM 166 HE3 LYS A 10 -2.079 -7.070 -2.715 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -3.638 -5.524 -2.200 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -3.696 -5.348 -3.889 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -2.802 -4.251 -2.949 1.00 0.00 H ATOM 170 N VAL A 11 -0.735 -1.850 -0.390 1.00 0.00 N ATOM 171 CA VAL A 11 -1.749 -1.773 0.694 1.00 0.00 C ATOM 172 C VAL A 11 -2.628 -0.539 0.499 1.00 0.00 C ATOM 173 O VAL A 11 -3.835 -0.593 0.633 1.00 0.00 O ATOM 174 CB VAL A 11 -0.936 -1.667 1.985 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.404 -0.243 2.156 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.825 -2.029 3.175 1.00 0.00 C ATOM 177 H VAL A 11 0.218 -1.795 -0.172 1.00 0.00 H ATOM 178 HA VAL A 11 -2.349 -2.666 0.709 1.00 0.00 H ATOM 179 HB VAL A 11 -0.105 -2.349 1.934 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.219 0.013 1.310 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.178 -0.183 3.062 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.232 0.447 2.213 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.695 -1.393 3.180 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.271 -1.891 4.093 1.00 0.00 H ATOM 185 HG23 VAL A 11 -2.133 -3.062 3.093 1.00 0.00 H ATOM 186 N ALA A 12 -2.030 0.573 0.183 1.00 0.00 N ATOM 187 CA ALA A 12 -2.828 1.809 -0.022 1.00 0.00 C ATOM 188 C ALA A 12 -3.787 1.631 -1.194 1.00 0.00 C ATOM 189 O ALA A 12 -4.822 2.259 -1.256 1.00 0.00 O ATOM 190 CB ALA A 12 -1.813 2.908 -0.304 1.00 0.00 C ATOM 191 H ALA A 12 -1.056 0.590 0.081 1.00 0.00 H ATOM 192 HA ALA A 12 -3.378 2.043 0.865 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.952 2.484 -0.797 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.510 3.360 0.628 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.262 3.656 -0.940 1.00 0.00 H ATOM 196 N GLU A 13 -3.466 0.768 -2.115 1.00 0.00 N ATOM 197 CA GLU A 13 -4.388 0.549 -3.256 1.00 0.00 C ATOM 198 C GLU A 13 -5.613 -0.211 -2.756 1.00 0.00 C ATOM 199 O GLU A 13 -6.725 -0.009 -3.215 1.00 0.00 O ATOM 200 CB GLU A 13 -3.603 -0.287 -4.269 1.00 0.00 C ATOM 201 CG GLU A 13 -4.550 -0.781 -5.366 1.00 0.00 C ATOM 202 CD GLU A 13 -4.965 -2.225 -5.079 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.147 -2.549 -3.917 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.095 -2.984 -6.026 1.00 0.00 O ATOM 205 H GLU A 13 -2.636 0.259 -2.046 1.00 0.00 H ATOM 206 HA GLU A 13 -4.675 1.490 -3.686 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.826 0.321 -4.712 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.157 -1.135 -3.771 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.428 -0.153 -5.391 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.049 -0.736 -6.320 1.00 0.00 H ATOM 211 N LYS A 14 -5.421 -1.064 -1.790 1.00 0.00 N ATOM 212 CA LYS A 14 -6.559 -1.817 -1.235 1.00 0.00 C ATOM 213 C LYS A 14 -7.283 -0.922 -0.246 1.00 0.00 C ATOM 214 O LYS A 14 -8.447 -1.081 0.016 1.00 0.00 O ATOM 215 CB LYS A 14 -5.943 -3.025 -0.536 1.00 0.00 C ATOM 216 CG LYS A 14 -6.982 -4.142 -0.406 1.00 0.00 C ATOM 217 CD LYS A 14 -6.886 -4.764 0.987 1.00 0.00 C ATOM 218 CE LYS A 14 -6.051 -6.043 0.916 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.973 -7.074 0.362 1.00 0.00 N ATOM 220 H LYS A 14 -4.532 -1.190 -1.413 1.00 0.00 H ATOM 221 HA LYS A 14 -7.217 -2.131 -2.019 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.104 -3.382 -1.113 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.607 -2.734 0.448 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.972 -3.735 -0.554 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.790 -4.902 -1.151 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.415 -4.063 1.662 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.877 -5.002 1.347 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.202 -5.901 0.258 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.721 -6.334 1.901 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -6.598 -8.021 0.566 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.058 -6.946 -0.668 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.909 -6.973 0.802 1.00 0.00 H ATOM 233 N PHE A 15 -6.601 0.040 0.291 1.00 0.00 N ATOM 234 CA PHE A 15 -7.268 0.950 1.244 1.00 0.00 C ATOM 235 C PHE A 15 -8.148 1.918 0.470 1.00 0.00 C ATOM 236 O PHE A 15 -9.180 2.357 0.939 1.00 0.00 O ATOM 237 CB PHE A 15 -6.141 1.679 1.967 1.00 0.00 C ATOM 238 CG PHE A 15 -6.362 1.607 3.460 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.838 0.426 4.042 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.089 2.721 4.261 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.041 0.359 5.427 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.290 2.655 5.645 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.767 1.475 6.228 1.00 0.00 C ATOM 244 H PHE A 15 -5.662 0.173 0.054 1.00 0.00 H ATOM 245 HA PHE A 15 -7.853 0.387 1.935 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.199 1.214 1.721 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.126 2.712 1.656 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.050 -0.435 3.425 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.722 3.632 3.813 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.408 -0.552 5.877 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.080 3.516 6.263 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.923 1.425 7.295 1.00 0.00 H ATOM 253 N LYS A 16 -7.754 2.235 -0.729 1.00 0.00 N ATOM 254 CA LYS A 16 -8.568 3.156 -1.554 1.00 0.00 C ATOM 255 C LYS A 16 -9.753 2.393 -2.136 1.00 0.00 C ATOM 256 O LYS A 16 -10.803 2.948 -2.386 1.00 0.00 O ATOM 257 CB LYS A 16 -7.635 3.638 -2.659 1.00 0.00 C ATOM 258 CG LYS A 16 -7.349 5.129 -2.477 1.00 0.00 C ATOM 259 CD LYS A 16 -6.405 5.607 -3.583 1.00 0.00 C ATOM 260 CE LYS A 16 -7.091 5.449 -4.943 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.316 6.320 -5.873 1.00 0.00 N ATOM 262 H LYS A 16 -6.931 1.850 -1.090 1.00 0.00 H ATOM 263 HA LYS A 16 -8.903 3.982 -0.964 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.710 3.085 -2.610 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.104 3.477 -3.616 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.276 5.683 -2.529 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.885 5.293 -1.516 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.158 6.645 -3.421 1.00 0.00 H ATOM 269 HD3 LYS A 16 -5.503 5.014 -3.568 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.050 4.418 -5.267 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.115 5.787 -4.888 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.200 5.835 -6.785 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.380 6.519 -5.465 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.827 7.213 -6.021 1.00 0.00 H ATOM 275 N GLU A 17 -9.595 1.113 -2.334 1.00 0.00 N ATOM 276 CA GLU A 17 -10.714 0.306 -2.876 1.00 0.00 C ATOM 277 C GLU A 17 -11.455 -0.351 -1.716 1.00 0.00 C ATOM 278 O GLU A 17 -12.628 -0.121 -1.497 1.00 0.00 O ATOM 279 CB GLU A 17 -10.064 -0.745 -3.772 1.00 0.00 C ATOM 280 CG GLU A 17 -11.151 -1.497 -4.543 1.00 0.00 C ATOM 281 CD GLU A 17 -11.375 -2.871 -3.907 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.492 -3.705 -4.020 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.428 -3.067 -3.322 1.00 0.00 O ATOM 284 H GLU A 17 -8.745 0.681 -2.108 1.00 0.00 H ATOM 285 HA GLU A 17 -11.374 0.925 -3.449 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.399 -0.258 -4.471 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.506 -1.441 -3.166 1.00 0.00 H ATOM 288 HG2 GLU A 17 -12.070 -0.931 -4.513 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.841 -1.624 -5.570 1.00 0.00 H ATOM 290 N ALA A 18 -10.764 -1.154 -0.959 1.00 0.00 N ATOM 291 CA ALA A 18 -11.403 -1.818 0.208 1.00 0.00 C ATOM 292 C ALA A 18 -12.090 -0.763 1.083 1.00 0.00 C ATOM 293 O ALA A 18 -13.023 -1.055 1.805 1.00 0.00 O ATOM 294 CB ALA A 18 -10.248 -2.485 0.958 1.00 0.00 C ATOM 295 H ALA A 18 -9.818 -1.310 -1.152 1.00 0.00 H ATOM 296 HA ALA A 18 -12.113 -2.561 -0.120 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.761 -1.756 1.593 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.531 -2.868 0.244 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.625 -3.296 1.560 1.00 0.00 H ATOM 300 N PHE A 19 -11.643 0.467 1.016 1.00 0.00 N ATOM 301 CA PHE A 19 -12.279 1.532 1.835 1.00 0.00 C ATOM 302 C PHE A 19 -12.312 2.851 1.056 1.00 0.00 C ATOM 303 O PHE A 19 -11.342 3.229 0.428 1.00 0.00 O ATOM 304 CB PHE A 19 -11.403 1.668 3.078 1.00 0.00 C ATOM 305 CG PHE A 19 -11.619 0.483 3.994 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.904 -0.043 4.184 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.526 -0.087 4.658 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.094 -1.136 5.039 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.717 -1.180 5.511 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.000 -1.705 5.702 1.00 0.00 C ATOM 311 H PHE A 19 -10.897 0.690 0.427 1.00 0.00 H ATOM 312 HA PHE A 19 -13.269 1.239 2.112 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.367 1.708 2.780 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.664 2.575 3.599 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.749 0.394 3.674 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.535 0.316 4.511 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.084 -1.542 5.186 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.874 -1.619 6.023 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.148 -2.548 6.361 1.00 0.00 H HETATM 320 N NH2 A 20 -13.399 3.577 1.070 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.431 4.422 0.575 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.182 3.275 1.575 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 4 HETATM 1 C ACE A 1 12.203 -0.438 -1.074 1.00 0.00 C HETATM 2 O ACE A 1 11.206 0.245 -0.944 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.236 -0.549 0.034 1.00 0.00 C HETATM 4 H1 ACE A 1 13.168 0.316 0.673 1.00 0.00 H HETATM 5 H2 ACE A 1 14.220 -0.609 -0.401 1.00 0.00 H HETATM 6 H3 ACE A 1 13.042 -1.443 0.610 1.00 0.00 H ATOM 7 N ASP A 2 12.402 -1.146 -2.145 1.00 0.00 N ATOM 8 CA ASP A 2 11.405 -1.125 -3.225 1.00 0.00 C ATOM 9 C ASP A 2 10.260 -1.954 -2.704 1.00 0.00 C ATOM 10 O ASP A 2 9.104 -1.638 -2.871 1.00 0.00 O ATOM 11 CB ASP A 2 12.077 -1.788 -4.425 1.00 0.00 C ATOM 12 CG ASP A 2 11.247 -1.531 -5.684 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.322 -0.432 -6.205 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.550 -2.440 -6.105 1.00 0.00 O ATOM 15 H ASP A 2 13.175 -1.725 -2.211 1.00 0.00 H ATOM 16 HA ASP A 2 11.101 -0.122 -3.452 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.066 -1.373 -4.555 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.151 -2.850 -4.254 1.00 0.00 H ATOM 19 N TRP A 3 10.617 -3.000 -2.014 1.00 0.00 N ATOM 20 CA TRP A 3 9.620 -3.889 -1.390 1.00 0.00 C ATOM 21 C TRP A 3 8.978 -3.158 -0.203 1.00 0.00 C ATOM 22 O TRP A 3 7.905 -3.502 0.247 1.00 0.00 O ATOM 23 CB TRP A 3 10.444 -5.074 -0.890 1.00 0.00 C ATOM 24 CG TRP A 3 11.455 -4.520 0.047 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.161 -3.993 1.248 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.894 -4.403 -0.113 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.302 -3.494 1.809 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.414 -3.751 1.029 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.790 -4.785 -1.127 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.777 -3.485 1.161 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.162 -4.526 -0.995 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.655 -3.876 0.147 1.00 0.00 C ATOM 33 H TRP A 3 11.567 -3.183 -1.880 1.00 0.00 H ATOM 34 HA TRP A 3 8.899 -4.202 -2.102 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.804 -5.776 -0.375 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.936 -5.560 -1.718 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.171 -3.916 1.671 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.338 -3.032 2.658 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.419 -5.285 -2.011 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.150 -2.986 2.042 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.843 -4.827 -1.777 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.712 -3.681 0.242 1.00 0.00 H ATOM 43 N PHE A 4 9.656 -2.157 0.317 1.00 0.00 N ATOM 44 CA PHE A 4 9.128 -1.405 1.481 1.00 0.00 C ATOM 45 C PHE A 4 8.042 -0.479 0.996 1.00 0.00 C ATOM 46 O PHE A 4 6.893 -0.592 1.365 1.00 0.00 O ATOM 47 CB PHE A 4 10.313 -0.611 2.012 1.00 0.00 C ATOM 48 CG PHE A 4 10.468 -0.865 3.491 1.00 0.00 C ATOM 49 CD1 PHE A 4 10.525 -2.179 3.972 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.558 0.211 4.380 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.673 -2.416 5.344 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.705 -0.025 5.752 1.00 0.00 C ATOM 53 CZ PHE A 4 10.764 -1.338 6.234 1.00 0.00 C ATOM 54 H PHE A 4 10.520 -1.906 -0.060 1.00 0.00 H ATOM 55 HA PHE A 4 8.764 -2.072 2.231 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.209 -0.922 1.496 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.143 0.441 1.844 1.00 0.00 H ATOM 58 HD1 PHE A 4 10.455 -3.010 3.286 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.511 1.224 4.008 1.00 0.00 H ATOM 60 HE1 PHE A 4 10.717 -3.429 5.716 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.776 0.806 6.439 1.00 0.00 H ATOM 62 HZ PHE A 4 10.880 -1.521 7.292 1.00 0.00 H ATOM 63 N LYS A 5 8.394 0.407 0.122 1.00 0.00 N ATOM 64 CA LYS A 5 7.375 1.305 -0.444 1.00 0.00 C ATOM 65 C LYS A 5 6.429 0.450 -1.286 1.00 0.00 C ATOM 66 O LYS A 5 5.367 0.880 -1.686 1.00 0.00 O ATOM 67 CB LYS A 5 8.144 2.298 -1.313 1.00 0.00 C ATOM 68 CG LYS A 5 7.568 3.702 -1.115 1.00 0.00 C ATOM 69 CD LYS A 5 8.055 4.270 0.220 1.00 0.00 C ATOM 70 CE LYS A 5 9.177 5.283 -0.029 1.00 0.00 C ATOM 71 NZ LYS A 5 8.501 6.609 -0.055 1.00 0.00 N ATOM 72 H LYS A 5 9.322 0.448 -0.190 1.00 0.00 H ATOM 73 HA LYS A 5 6.847 1.819 0.335 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.185 2.291 -1.027 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.049 2.015 -2.349 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.896 4.341 -1.922 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.491 3.650 -1.111 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.233 4.758 0.723 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.428 3.466 0.837 1.00 0.00 H ATOM 80 HE2 LYS A 5 9.901 5.242 0.775 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.655 5.092 -0.977 1.00 0.00 H ATOM 82 HZ1 LYS A 5 7.939 6.731 0.810 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.878 6.663 -0.886 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.216 7.362 -0.109 1.00 0.00 H ATOM 85 N ALA A 6 6.820 -0.778 -1.552 1.00 0.00 N ATOM 86 CA ALA A 6 5.959 -1.676 -2.367 1.00 0.00 C ATOM 87 C ALA A 6 4.835 -2.271 -1.520 1.00 0.00 C ATOM 88 O ALA A 6 3.752 -2.527 -2.006 1.00 0.00 O ATOM 89 CB ALA A 6 6.896 -2.769 -2.846 1.00 0.00 C ATOM 90 H ALA A 6 7.689 -1.110 -1.213 1.00 0.00 H ATOM 91 HA ALA A 6 5.560 -1.149 -3.207 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.342 -3.676 -3.016 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.644 -2.935 -2.093 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.373 -2.456 -3.763 1.00 0.00 H ATOM 95 N PHE A 7 5.075 -2.505 -0.262 1.00 0.00 N ATOM 96 CA PHE A 7 4.006 -3.082 0.583 1.00 0.00 C ATOM 97 C PHE A 7 3.163 -1.962 1.185 1.00 0.00 C ATOM 98 O PHE A 7 1.953 -2.049 1.247 1.00 0.00 O ATOM 99 CB PHE A 7 4.723 -3.908 1.658 1.00 0.00 C ATOM 100 CG PHE A 7 5.212 -3.015 2.776 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.302 -2.478 3.692 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.578 -2.732 2.900 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.755 -1.659 4.732 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.032 -1.913 3.940 1.00 0.00 C ATOM 105 CZ PHE A 7 6.120 -1.376 4.856 1.00 0.00 C ATOM 106 H PHE A 7 5.948 -2.303 0.120 1.00 0.00 H ATOM 107 HA PHE A 7 3.387 -3.719 -0.015 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.037 -4.639 2.062 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.565 -4.417 1.215 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.251 -2.698 3.596 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.280 -3.148 2.195 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.051 -1.245 5.440 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.085 -1.694 4.034 1.00 0.00 H ATOM 114 HZ PHE A 7 6.471 -0.744 5.660 1.00 0.00 H ATOM 115 N TYR A 8 3.787 -0.900 1.610 1.00 0.00 N ATOM 116 CA TYR A 8 3.005 0.224 2.180 1.00 0.00 C ATOM 117 C TYR A 8 2.054 0.767 1.112 1.00 0.00 C ATOM 118 O TYR A 8 0.953 1.194 1.403 1.00 0.00 O ATOM 119 CB TYR A 8 4.032 1.278 2.581 1.00 0.00 C ATOM 120 CG TYR A 8 3.469 2.124 3.698 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.577 3.163 3.407 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.837 1.869 5.025 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.052 3.946 4.442 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.313 2.652 6.060 1.00 0.00 C ATOM 125 CZ TYR A 8 2.421 3.691 5.769 1.00 0.00 C ATOM 126 OH TYR A 8 1.903 4.464 6.790 1.00 0.00 O ATOM 127 H TYR A 8 4.758 -0.836 1.540 1.00 0.00 H ATOM 128 HA TYR A 8 2.457 -0.102 3.043 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.933 0.788 2.918 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.256 1.904 1.732 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.293 3.360 2.385 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.526 1.068 5.251 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.364 4.748 4.218 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.597 2.456 7.084 1.00 0.00 H ATOM 135 HH TYR A 8 0.971 4.251 6.880 1.00 0.00 H ATOM 136 N ASP A 9 2.462 0.736 -0.132 1.00 0.00 N ATOM 137 CA ASP A 9 1.566 1.232 -1.206 1.00 0.00 C ATOM 138 C ASP A 9 0.534 0.150 -1.526 1.00 0.00 C ATOM 139 O ASP A 9 -0.635 0.423 -1.702 1.00 0.00 O ATOM 140 CB ASP A 9 2.481 1.540 -2.406 1.00 0.00 C ATOM 141 CG ASP A 9 2.442 0.401 -3.434 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.852 -0.694 -3.092 1.00 0.00 O ATOM 143 OD2 ASP A 9 1.997 0.647 -4.544 1.00 0.00 O ATOM 144 H ASP A 9 3.343 0.372 -0.356 1.00 0.00 H ATOM 145 HA ASP A 9 1.074 2.131 -0.882 1.00 0.00 H ATOM 146 HB2 ASP A 9 2.151 2.454 -2.878 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.492 1.668 -2.054 1.00 0.00 H ATOM 148 N LYS A 10 0.965 -1.081 -1.589 1.00 0.00 N ATOM 149 CA LYS A 10 0.013 -2.188 -1.878 1.00 0.00 C ATOM 150 C LYS A 10 -1.163 -2.116 -0.901 1.00 0.00 C ATOM 151 O LYS A 10 -2.306 -2.010 -1.297 1.00 0.00 O ATOM 152 CB LYS A 10 0.818 -3.468 -1.661 1.00 0.00 C ATOM 153 CG LYS A 10 -0.053 -4.680 -1.987 1.00 0.00 C ATOM 154 CD LYS A 10 -0.140 -5.592 -0.763 1.00 0.00 C ATOM 155 CE LYS A 10 -1.448 -6.383 -0.812 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.032 -7.806 -0.936 1.00 0.00 N ATOM 157 H LYS A 10 1.914 -1.277 -1.434 1.00 0.00 H ATOM 158 HA LYS A 10 -0.333 -2.135 -2.897 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.685 -3.460 -2.307 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.135 -3.521 -0.630 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.044 -4.349 -2.261 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.383 -5.226 -2.810 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.698 -6.275 -0.762 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.117 -4.993 0.135 1.00 0.00 H ATOM 165 HE2 LYS A 10 -2.014 -6.231 0.099 1.00 0.00 H ATOM 166 HE3 LYS A 10 -2.031 -6.091 -1.671 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.874 -8.416 -0.914 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.402 -8.054 -0.145 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.531 -7.945 -1.837 1.00 0.00 H ATOM 170 N VAL A 11 -0.891 -2.159 0.378 1.00 0.00 N ATOM 171 CA VAL A 11 -2.001 -2.074 1.370 1.00 0.00 C ATOM 172 C VAL A 11 -2.866 -0.852 1.062 1.00 0.00 C ATOM 173 O VAL A 11 -4.080 -0.925 1.042 1.00 0.00 O ATOM 174 CB VAL A 11 -1.326 -1.936 2.740 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.706 -3.276 3.141 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.229 -0.866 2.685 1.00 0.00 C ATOM 177 H VAL A 11 0.036 -2.236 0.680 1.00 0.00 H ATOM 178 HA VAL A 11 -2.598 -2.973 1.342 1.00 0.00 H ATOM 179 HB VAL A 11 -2.066 -1.653 3.477 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.485 -3.953 3.454 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.012 -3.122 3.956 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.182 -3.697 2.296 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.636 -1.210 3.231 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.595 0.047 3.132 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.046 -0.677 1.659 1.00 0.00 H ATOM 186 N ALA A 12 -2.252 0.272 0.804 1.00 0.00 N ATOM 187 CA ALA A 12 -3.041 1.488 0.480 1.00 0.00 C ATOM 188 C ALA A 12 -3.841 1.256 -0.792 1.00 0.00 C ATOM 189 O ALA A 12 -4.822 1.920 -1.047 1.00 0.00 O ATOM 190 CB ALA A 12 -2.016 2.591 0.281 1.00 0.00 C ATOM 191 H ALA A 12 -1.272 0.313 0.814 1.00 0.00 H ATOM 192 HA ALA A 12 -3.697 1.738 1.288 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.116 2.343 0.820 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.417 3.522 0.654 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.794 2.687 -0.770 1.00 0.00 H ATOM 196 N GLU A 13 -3.440 0.305 -1.585 1.00 0.00 N ATOM 197 CA GLU A 13 -4.197 0.018 -2.826 1.00 0.00 C ATOM 198 C GLU A 13 -5.481 -0.711 -2.450 1.00 0.00 C ATOM 199 O GLU A 13 -6.513 -0.547 -3.074 1.00 0.00 O ATOM 200 CB GLU A 13 -3.288 -0.866 -3.674 1.00 0.00 C ATOM 201 CG GLU A 13 -2.985 -0.162 -4.997 1.00 0.00 C ATOM 202 CD GLU A 13 -1.726 -0.767 -5.620 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.510 -1.953 -5.437 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.000 -0.033 -6.269 1.00 0.00 O ATOM 205 H GLU A 13 -2.656 -0.224 -1.357 1.00 0.00 H ATOM 206 HA GLU A 13 -4.418 0.926 -3.342 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.368 -1.046 -3.142 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.784 -1.803 -3.872 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.820 -0.289 -5.672 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.825 0.891 -4.816 1.00 0.00 H ATOM 211 N LYS A 14 -5.438 -1.478 -1.397 1.00 0.00 N ATOM 212 CA LYS A 14 -6.653 -2.167 -0.949 1.00 0.00 C ATOM 213 C LYS A 14 -7.517 -1.125 -0.275 1.00 0.00 C ATOM 214 O LYS A 14 -8.722 -1.170 -0.325 1.00 0.00 O ATOM 215 CB LYS A 14 -6.186 -3.225 0.049 1.00 0.00 C ATOM 216 CG LYS A 14 -5.249 -4.214 -0.649 1.00 0.00 C ATOM 217 CD LYS A 14 -6.076 -5.203 -1.472 1.00 0.00 C ATOM 218 CE LYS A 14 -5.428 -6.590 -1.410 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.446 -7.515 -1.982 1.00 0.00 N ATOM 220 H LYS A 14 -4.619 -1.563 -0.881 1.00 0.00 H ATOM 221 HA LYS A 14 -7.163 -2.620 -1.778 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.662 -2.744 0.863 1.00 0.00 H ATOM 223 HB3 LYS A 14 -7.042 -3.757 0.436 1.00 0.00 H ATOM 224 HG2 LYS A 14 -4.577 -3.673 -1.301 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.677 -4.753 0.091 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.077 -5.254 -1.071 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.115 -4.873 -2.499 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.524 -6.608 -2.003 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.214 -6.861 -0.388 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.052 -6.995 -2.646 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.028 -7.907 -1.213 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.968 -8.288 -2.484 1.00 0.00 H ATOM 233 N PHE A 15 -6.884 -0.153 0.329 1.00 0.00 N ATOM 234 CA PHE A 15 -7.641 0.934 0.991 1.00 0.00 C ATOM 235 C PHE A 15 -8.275 1.810 -0.079 1.00 0.00 C ATOM 236 O PHE A 15 -9.316 2.403 0.117 1.00 0.00 O ATOM 237 CB PHE A 15 -6.607 1.719 1.792 1.00 0.00 C ATOM 238 CG PHE A 15 -6.571 1.212 3.214 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.121 -0.087 3.486 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.986 2.041 4.261 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.087 -0.554 4.806 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.952 1.575 5.580 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.504 0.277 5.853 1.00 0.00 C ATOM 244 H PHE A 15 -5.905 -0.131 0.322 1.00 0.00 H ATOM 245 HA PHE A 15 -8.386 0.529 1.639 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.636 1.597 1.341 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.877 2.764 1.793 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.800 -0.728 2.679 1.00 0.00 H ATOM 249 HD2 PHE A 15 -7.333 3.043 4.052 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.741 -1.554 5.016 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.274 2.216 6.387 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.477 -0.082 6.870 1.00 0.00 H ATOM 253 N LYS A 16 -7.656 1.876 -1.220 1.00 0.00 N ATOM 254 CA LYS A 16 -8.221 2.688 -2.322 1.00 0.00 C ATOM 255 C LYS A 16 -9.465 1.985 -2.857 1.00 0.00 C ATOM 256 O LYS A 16 -10.418 2.610 -3.279 1.00 0.00 O ATOM 257 CB LYS A 16 -7.121 2.738 -3.382 1.00 0.00 C ATOM 258 CG LYS A 16 -7.717 3.171 -4.722 1.00 0.00 C ATOM 259 CD LYS A 16 -6.634 3.843 -5.567 1.00 0.00 C ATOM 260 CE LYS A 16 -7.265 4.944 -6.421 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.188 4.230 -7.346 1.00 0.00 N ATOM 262 H LYS A 16 -6.828 1.377 -1.355 1.00 0.00 H ATOM 263 HA LYS A 16 -8.456 3.678 -1.977 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.362 3.446 -3.081 1.00 0.00 H ATOM 265 HB3 LYS A 16 -6.678 1.759 -3.487 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.096 2.303 -5.244 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.522 3.868 -4.549 1.00 0.00 H ATOM 268 HD2 LYS A 16 -5.888 4.275 -4.916 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.172 3.110 -6.211 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.814 5.635 -5.796 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.506 5.466 -6.985 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.906 3.719 -6.795 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.646 3.554 -7.924 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.658 4.918 -7.969 1.00 0.00 H ATOM 275 N GLU A 17 -9.463 0.679 -2.824 1.00 0.00 N ATOM 276 CA GLU A 17 -10.641 -0.083 -3.308 1.00 0.00 C ATOM 277 C GLU A 17 -11.477 -0.565 -2.121 1.00 0.00 C ATOM 278 O GLU A 17 -12.575 -1.062 -2.277 1.00 0.00 O ATOM 279 CB GLU A 17 -10.066 -1.261 -4.088 1.00 0.00 C ATOM 280 CG GLU A 17 -10.329 -1.059 -5.583 1.00 0.00 C ATOM 281 CD GLU A 17 -10.718 -2.394 -6.218 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.042 -3.309 -5.478 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.688 -2.480 -7.435 1.00 0.00 O ATOM 284 H GLU A 17 -8.689 0.201 -2.466 1.00 0.00 H ATOM 285 HA GLU A 17 -11.229 0.528 -3.957 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.001 -1.318 -3.913 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.539 -2.172 -3.760 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.130 -0.349 -5.713 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.434 -0.686 -6.057 1.00 0.00 H ATOM 290 N ALA A 18 -10.960 -0.417 -0.933 1.00 0.00 N ATOM 291 CA ALA A 18 -11.705 -0.854 0.274 1.00 0.00 C ATOM 292 C ALA A 18 -12.517 0.318 0.827 1.00 0.00 C ATOM 293 O ALA A 18 -13.483 0.140 1.543 1.00 0.00 O ATOM 294 CB ALA A 18 -10.623 -1.277 1.267 1.00 0.00 C ATOM 295 H ALA A 18 -10.080 -0.015 -0.834 1.00 0.00 H ATOM 296 HA ALA A 18 -12.340 -1.687 0.040 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.899 -0.482 1.369 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.125 -2.164 0.899 1.00 0.00 H ATOM 299 HB3 ALA A 18 -11.069 -1.485 2.226 1.00 0.00 H ATOM 300 N PHE A 19 -12.127 1.517 0.496 1.00 0.00 N ATOM 301 CA PHE A 19 -12.863 2.708 0.991 1.00 0.00 C ATOM 302 C PHE A 19 -13.568 3.416 -0.168 1.00 0.00 C ATOM 303 O PHE A 19 -14.197 4.439 0.017 1.00 0.00 O ATOM 304 CB PHE A 19 -11.799 3.614 1.605 1.00 0.00 C ATOM 305 CG PHE A 19 -11.456 3.123 2.992 1.00 0.00 C ATOM 306 CD1 PHE A 19 -10.510 2.106 3.160 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.080 3.689 4.111 1.00 0.00 C ATOM 308 CE1 PHE A 19 -10.188 1.653 4.445 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.757 3.238 5.396 1.00 0.00 C ATOM 310 CZ PHE A 19 -10.812 2.220 5.563 1.00 0.00 C ATOM 311 H PHE A 19 -11.350 1.634 -0.079 1.00 0.00 H ATOM 312 HA PHE A 19 -13.568 2.417 1.738 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.914 3.598 0.988 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.180 4.622 1.665 1.00 0.00 H ATOM 315 HD1 PHE A 19 -10.030 1.667 2.298 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.810 4.476 3.982 1.00 0.00 H ATOM 317 HE1 PHE A 19 -9.459 0.867 4.574 1.00 0.00 H ATOM 318 HE2 PHE A 19 -12.238 3.674 6.259 1.00 0.00 H ATOM 319 HZ PHE A 19 -10.562 1.871 6.555 1.00 0.00 H HETATM 320 N NH2 A 20 -13.486 2.911 -1.369 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.932 3.357 -2.119 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.979 2.086 -1.520 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 5 HETATM 1 C ACE A 1 12.403 -0.741 -0.542 1.00 0.00 C HETATM 2 O ACE A 1 11.380 -0.164 -0.223 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.543 -0.934 0.446 1.00 0.00 C HETATM 4 H1 ACE A 1 13.694 -1.993 0.611 1.00 0.00 H HETATM 5 H2 ACE A 1 13.292 -0.457 1.379 1.00 0.00 H HETATM 6 H3 ACE A 1 14.442 -0.499 0.043 1.00 0.00 H ATOM 7 N ASP A 2 12.545 -1.257 -1.726 1.00 0.00 N ATOM 8 CA ASP A 2 11.453 -1.141 -2.701 1.00 0.00 C ATOM 9 C ASP A 2 10.324 -1.982 -2.153 1.00 0.00 C ATOM 10 O ASP A 2 9.169 -1.675 -2.314 1.00 0.00 O ATOM 11 CB ASP A 2 12.008 -1.715 -4.009 1.00 0.00 C ATOM 12 CG ASP A 2 10.861 -2.241 -4.878 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.262 -1.444 -5.580 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.604 -3.433 -4.825 1.00 0.00 O ATOM 15 H ASP A 2 13.345 -1.752 -1.955 1.00 0.00 H ATOM 16 HA ASP A 2 11.154 -0.114 -2.823 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.534 -0.938 -4.544 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.688 -2.522 -3.786 1.00 0.00 H ATOM 19 N TRP A 3 10.686 -3.037 -1.468 1.00 0.00 N ATOM 20 CA TRP A 3 9.680 -3.931 -0.850 1.00 0.00 C ATOM 21 C TRP A 3 8.925 -3.175 0.255 1.00 0.00 C ATOM 22 O TRP A 3 7.838 -3.549 0.643 1.00 0.00 O ATOM 23 CB TRP A 3 10.494 -5.097 -0.258 1.00 0.00 C ATOM 24 CG TRP A 3 11.051 -4.661 1.052 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.693 -3.495 1.245 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.015 -5.330 2.346 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.011 -3.369 2.568 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.638 -4.485 3.295 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.505 -6.563 2.786 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.752 -4.852 4.636 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.623 -6.939 4.136 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.243 -6.084 5.058 1.00 0.00 C ATOM 33 H TRP A 3 11.634 -3.226 -1.345 1.00 0.00 H ATOM 34 HA TRP A 3 9.009 -4.294 -1.593 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.850 -5.952 -0.113 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.300 -5.355 -0.927 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.891 -2.757 0.487 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.456 -2.597 2.955 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.025 -7.228 2.083 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.231 -4.191 5.342 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.230 -7.890 4.465 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.330 -6.380 6.093 1.00 0.00 H ATOM 43 N PHE A 4 9.501 -2.110 0.758 1.00 0.00 N ATOM 44 CA PHE A 4 8.829 -1.328 1.826 1.00 0.00 C ATOM 45 C PHE A 4 7.849 -0.385 1.165 1.00 0.00 C ATOM 46 O PHE A 4 6.653 -0.478 1.352 1.00 0.00 O ATOM 47 CB PHE A 4 9.944 -0.560 2.533 1.00 0.00 C ATOM 48 CG PHE A 4 9.425 -0.023 3.848 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.071 -0.906 4.875 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.298 1.359 4.038 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.589 -0.408 6.091 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.816 1.857 5.254 1.00 0.00 C ATOM 53 CZ PHE A 4 8.461 0.974 6.282 1.00 0.00 C ATOM 54 H PHE A 4 10.366 -1.820 0.420 1.00 0.00 H ATOM 55 HA PHE A 4 8.332 -1.984 2.514 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.775 -1.223 2.717 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.264 0.260 1.910 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.169 -1.972 4.728 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.572 2.040 3.245 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.316 -1.089 6.885 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.718 2.922 5.401 1.00 0.00 H ATOM 62 HZ PHE A 4 8.090 1.357 7.219 1.00 0.00 H ATOM 63 N LYS A 5 8.342 0.484 0.332 1.00 0.00 N ATOM 64 CA LYS A 5 7.418 1.373 -0.398 1.00 0.00 C ATOM 65 C LYS A 5 6.515 0.473 -1.234 1.00 0.00 C ATOM 66 O LYS A 5 5.460 0.870 -1.690 1.00 0.00 O ATOM 67 CB LYS A 5 8.301 2.263 -1.280 1.00 0.00 C ATOM 68 CG LYS A 5 8.851 1.452 -2.456 1.00 0.00 C ATOM 69 CD LYS A 5 10.196 2.037 -2.896 1.00 0.00 C ATOM 70 CE LYS A 5 10.044 3.541 -3.142 1.00 0.00 C ATOM 71 NZ LYS A 5 10.992 4.184 -2.189 1.00 0.00 N ATOM 72 H LYS A 5 9.304 0.509 0.153 1.00 0.00 H ATOM 73 HA LYS A 5 6.839 1.968 0.289 1.00 0.00 H ATOM 74 HB2 LYS A 5 7.713 3.088 -1.659 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.122 2.648 -0.696 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.988 0.424 -2.152 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.157 1.494 -3.281 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.932 1.871 -2.122 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.518 1.557 -3.808 1.00 0.00 H ATOM 80 HE2 LYS A 5 10.312 3.782 -4.162 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.036 3.857 -2.931 1.00 0.00 H ATOM 82 HZ1 LYS A 5 11.870 3.629 -2.144 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.557 4.224 -1.244 1.00 0.00 H ATOM 84 HZ3 LYS A 5 11.209 5.147 -2.511 1.00 0.00 H ATOM 85 N ALA A 6 6.925 -0.766 -1.414 1.00 0.00 N ATOM 86 CA ALA A 6 6.096 -1.722 -2.191 1.00 0.00 C ATOM 87 C ALA A 6 4.953 -2.232 -1.313 1.00 0.00 C ATOM 88 O ALA A 6 3.908 -2.623 -1.796 1.00 0.00 O ATOM 89 CB ALA A 6 7.041 -2.860 -2.551 1.00 0.00 C ATOM 90 H ALA A 6 7.777 -1.071 -1.020 1.00 0.00 H ATOM 91 HA ALA A 6 5.724 -1.260 -3.081 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.475 -3.747 -2.775 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.699 -3.048 -1.720 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.629 -2.576 -3.415 1.00 0.00 H ATOM 95 N PHE A 7 5.145 -2.220 -0.019 1.00 0.00 N ATOM 96 CA PHE A 7 4.077 -2.691 0.897 1.00 0.00 C ATOM 97 C PHE A 7 3.023 -1.602 1.056 1.00 0.00 C ATOM 98 O PHE A 7 1.846 -1.824 0.854 1.00 0.00 O ATOM 99 CB PHE A 7 4.767 -2.940 2.239 1.00 0.00 C ATOM 100 CG PHE A 7 5.583 -4.210 2.189 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.120 -5.327 1.481 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.809 -4.270 2.865 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.881 -6.500 1.449 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.570 -5.443 2.832 1.00 0.00 C ATOM 105 CZ PHE A 7 7.107 -6.558 2.124 1.00 0.00 C ATOM 106 H PHE A 7 5.988 -1.894 0.348 1.00 0.00 H ATOM 107 HA PHE A 7 3.640 -3.591 0.530 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.416 -2.109 2.463 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.018 -3.028 3.011 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.178 -5.285 0.961 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.169 -3.410 3.410 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.524 -7.361 0.905 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.515 -5.489 3.353 1.00 0.00 H ATOM 114 HZ PHE A 7 7.695 -7.465 2.099 1.00 0.00 H ATOM 115 N TYR A 8 3.446 -0.425 1.419 1.00 0.00 N ATOM 116 CA TYR A 8 2.478 0.690 1.598 1.00 0.00 C ATOM 117 C TYR A 8 1.807 1.009 0.264 1.00 0.00 C ATOM 118 O TYR A 8 0.718 1.545 0.217 1.00 0.00 O ATOM 119 CB TYR A 8 3.309 1.879 2.081 1.00 0.00 C ATOM 120 CG TYR A 8 2.498 3.146 1.941 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.637 3.545 2.971 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.602 3.919 0.779 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.882 4.717 2.838 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.847 5.091 0.647 1.00 0.00 C ATOM 125 CZ TYR A 8 0.988 5.490 1.677 1.00 0.00 C ATOM 126 OH TYR A 8 0.243 6.645 1.545 1.00 0.00 O ATOM 127 H TYR A 8 4.401 -0.276 1.575 1.00 0.00 H ATOM 128 HA TYR A 8 1.744 0.430 2.337 1.00 0.00 H ATOM 129 HB2 TYR A 8 3.575 1.733 3.119 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.207 1.959 1.487 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.556 2.950 3.869 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.266 3.613 -0.017 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.217 5.025 3.634 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.929 5.688 -0.250 1.00 0.00 H ATOM 135 HH TYR A 8 0.837 7.394 1.643 1.00 0.00 H ATOM 136 N ASP A 9 2.450 0.682 -0.821 1.00 0.00 N ATOM 137 CA ASP A 9 1.852 0.965 -2.152 1.00 0.00 C ATOM 138 C ASP A 9 0.683 0.015 -2.425 1.00 0.00 C ATOM 139 O ASP A 9 -0.451 0.432 -2.576 1.00 0.00 O ATOM 140 CB ASP A 9 2.981 0.725 -3.151 1.00 0.00 C ATOM 141 CG ASP A 9 3.589 2.066 -3.569 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.321 3.050 -2.900 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.314 2.084 -4.551 1.00 0.00 O ATOM 144 H ASP A 9 3.326 0.250 -0.759 1.00 0.00 H ATOM 145 HA ASP A 9 1.532 1.986 -2.207 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.741 0.111 -2.691 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.588 0.224 -4.021 1.00 0.00 H ATOM 148 N LYS A 10 0.950 -1.260 -2.499 1.00 0.00 N ATOM 149 CA LYS A 10 -0.140 -2.237 -2.773 1.00 0.00 C ATOM 150 C LYS A 10 -1.238 -2.147 -1.707 1.00 0.00 C ATOM 151 O LYS A 10 -2.412 -2.105 -2.017 1.00 0.00 O ATOM 152 CB LYS A 10 0.546 -3.612 -2.755 1.00 0.00 C ATOM 153 CG LYS A 10 0.595 -4.174 -1.327 1.00 0.00 C ATOM 154 CD LYS A 10 1.138 -5.605 -1.355 1.00 0.00 C ATOM 155 CE LYS A 10 2.396 -5.664 -2.227 1.00 0.00 C ATOM 156 NZ LYS A 10 2.766 -7.109 -2.283 1.00 0.00 N ATOM 157 H LYS A 10 1.870 -1.574 -2.382 1.00 0.00 H ATOM 158 HA LYS A 10 -0.557 -2.057 -3.751 1.00 0.00 H ATOM 159 HB2 LYS A 10 -0.003 -4.292 -3.386 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.553 -3.510 -3.129 1.00 0.00 H ATOM 161 HG2 LYS A 10 1.236 -3.556 -0.717 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.401 -4.184 -0.912 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.383 -5.914 -0.348 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.389 -6.266 -1.762 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.182 -5.289 -3.217 1.00 0.00 H ATOM 166 HE3 LYS A 10 3.194 -5.096 -1.773 1.00 0.00 H ATOM 167 HZ1 LYS A 10 3.677 -7.252 -1.804 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.847 -7.405 -3.278 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.035 -7.679 -1.811 1.00 0.00 H ATOM 170 N VAL A 11 -0.871 -2.130 -0.457 1.00 0.00 N ATOM 171 CA VAL A 11 -1.907 -2.059 0.610 1.00 0.00 C ATOM 172 C VAL A 11 -2.788 -0.830 0.396 1.00 0.00 C ATOM 173 O VAL A 11 -4.001 -0.906 0.451 1.00 0.00 O ATOM 174 CB VAL A 11 -1.137 -1.963 1.927 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.208 -3.170 2.063 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.306 -0.680 1.962 1.00 0.00 C ATOM 177 H VAL A 11 0.078 -2.175 -0.224 1.00 0.00 H ATOM 178 HA VAL A 11 -2.508 -2.954 0.602 1.00 0.00 H ATOM 179 HB VAL A 11 -1.838 -1.958 2.747 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.728 -3.970 2.567 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.664 -2.890 2.637 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.099 -3.502 1.081 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.953 0.164 2.152 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.193 -0.546 1.014 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.427 -0.755 2.750 1.00 0.00 H ATOM 186 N ALA A 12 -2.192 0.299 0.138 1.00 0.00 N ATOM 187 CA ALA A 12 -2.996 1.528 -0.091 1.00 0.00 C ATOM 188 C ALA A 12 -3.957 1.310 -1.251 1.00 0.00 C ATOM 189 O ALA A 12 -4.997 1.927 -1.324 1.00 0.00 O ATOM 190 CB ALA A 12 -1.987 2.618 -0.415 1.00 0.00 C ATOM 191 H ALA A 12 -1.217 0.337 0.090 1.00 0.00 H ATOM 192 HA ALA A 12 -3.543 1.787 0.791 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.138 2.525 0.244 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.450 3.584 -0.275 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.664 2.515 -1.439 1.00 0.00 H ATOM 196 N GLU A 13 -3.630 0.425 -2.147 1.00 0.00 N ATOM 197 CA GLU A 13 -4.551 0.155 -3.277 1.00 0.00 C ATOM 198 C GLU A 13 -5.737 -0.656 -2.753 1.00 0.00 C ATOM 199 O GLU A 13 -6.861 -0.521 -3.209 1.00 0.00 O ATOM 200 CB GLU A 13 -3.734 -0.654 -4.279 1.00 0.00 C ATOM 201 CG GLU A 13 -3.814 0.004 -5.659 1.00 0.00 C ATOM 202 CD GLU A 13 -2.825 1.169 -5.730 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.075 1.344 -4.783 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.834 1.868 -6.731 1.00 0.00 O ATOM 205 H GLU A 13 -2.793 -0.071 -2.067 1.00 0.00 H ATOM 206 HA GLU A 13 -4.881 1.071 -3.717 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.705 -0.687 -3.954 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.129 -1.655 -4.336 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.567 -0.725 -6.418 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.814 0.373 -5.826 1.00 0.00 H ATOM 211 N LYS A 14 -5.499 -1.465 -1.754 1.00 0.00 N ATOM 212 CA LYS A 14 -6.594 -2.247 -1.167 1.00 0.00 C ATOM 213 C LYS A 14 -7.402 -1.300 -0.309 1.00 0.00 C ATOM 214 O LYS A 14 -8.585 -1.451 -0.149 1.00 0.00 O ATOM 215 CB LYS A 14 -5.917 -3.327 -0.322 1.00 0.00 C ATOM 216 CG LYS A 14 -6.974 -4.281 0.235 1.00 0.00 C ATOM 217 CD LYS A 14 -6.302 -5.573 0.704 1.00 0.00 C ATOM 218 CE LYS A 14 -5.868 -6.399 -0.510 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.709 -7.212 -0.039 1.00 0.00 N ATOM 220 H LYS A 14 -4.612 -1.525 -1.369 1.00 0.00 H ATOM 221 HA LYS A 14 -7.199 -2.691 -1.934 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.221 -3.879 -0.937 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.386 -2.863 0.496 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.476 -3.814 1.070 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.695 -4.512 -0.536 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.436 -5.329 1.303 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.999 -6.147 1.296 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.674 -7.042 -0.832 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.559 -5.749 -1.314 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.557 -7.055 0.978 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -3.855 -6.931 -0.563 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.903 -8.219 -0.205 1.00 0.00 H ATOM 233 N PHE A 15 -6.753 -0.293 0.214 1.00 0.00 N ATOM 234 CA PHE A 15 -7.462 0.709 1.042 1.00 0.00 C ATOM 235 C PHE A 15 -8.175 1.692 0.122 1.00 0.00 C ATOM 236 O PHE A 15 -9.124 2.346 0.503 1.00 0.00 O ATOM 237 CB PHE A 15 -6.372 1.405 1.857 1.00 0.00 C ATOM 238 CG PHE A 15 -5.676 0.394 2.738 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.385 -0.700 3.250 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.318 0.551 3.042 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.736 -1.636 4.064 1.00 0.00 C ATOM 242 CE2 PHE A 15 -3.670 -0.387 3.856 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.380 -1.480 4.367 1.00 0.00 C ATOM 244 H PHE A 15 -5.798 -0.187 0.039 1.00 0.00 H ATOM 245 HA PHE A 15 -8.161 0.227 1.688 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.654 1.853 1.186 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.819 2.172 2.473 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.431 -0.823 3.017 1.00 0.00 H ATOM 249 HD2 PHE A 15 -3.771 1.394 2.649 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.284 -2.480 4.457 1.00 0.00 H ATOM 251 HE2 PHE A 15 -2.623 -0.265 4.092 1.00 0.00 H ATOM 252 HZ PHE A 15 -3.879 -2.202 4.995 1.00 0.00 H ATOM 253 N LYS A 16 -7.729 1.777 -1.099 1.00 0.00 N ATOM 254 CA LYS A 16 -8.382 2.688 -2.068 1.00 0.00 C ATOM 255 C LYS A 16 -9.741 2.107 -2.439 1.00 0.00 C ATOM 256 O LYS A 16 -10.706 2.819 -2.640 1.00 0.00 O ATOM 257 CB LYS A 16 -7.454 2.717 -3.283 1.00 0.00 C ATOM 258 CG LYS A 16 -8.002 3.692 -4.328 1.00 0.00 C ATOM 259 CD LYS A 16 -6.926 4.722 -4.681 1.00 0.00 C ATOM 260 CE LYS A 16 -6.457 4.503 -6.122 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.493 3.366 -6.052 1.00 0.00 N ATOM 262 H LYS A 16 -6.975 1.225 -1.381 1.00 0.00 H ATOM 263 HA LYS A 16 -8.486 3.672 -1.651 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.468 3.037 -2.973 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.393 1.729 -3.713 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.284 3.146 -5.216 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.868 4.201 -3.928 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.337 5.717 -4.584 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.089 4.611 -4.011 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.297 4.248 -6.755 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.961 5.385 -6.495 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.934 2.514 -6.450 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.230 3.191 -5.060 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -4.643 3.601 -6.602 1.00 0.00 H ATOM 275 N GLU A 17 -9.825 0.805 -2.508 1.00 0.00 N ATOM 276 CA GLU A 17 -11.121 0.162 -2.840 1.00 0.00 C ATOM 277 C GLU A 17 -11.806 -0.291 -1.549 1.00 0.00 C ATOM 278 O GLU A 17 -13.017 -0.370 -1.462 1.00 0.00 O ATOM 279 CB GLU A 17 -10.768 -1.042 -3.713 1.00 0.00 C ATOM 280 CG GLU A 17 -12.053 -1.683 -4.244 1.00 0.00 C ATOM 281 CD GLU A 17 -12.772 -2.413 -3.107 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.100 -3.077 -2.336 1.00 0.00 O ATOM 283 OE2 GLU A 17 -13.983 -2.294 -3.028 1.00 0.00 O ATOM 284 H GLU A 17 -9.035 0.253 -2.327 1.00 0.00 H ATOM 285 HA GLU A 17 -11.742 0.844 -3.383 1.00 0.00 H ATOM 286 HB2 GLU A 17 -10.159 -0.715 -4.543 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.223 -1.765 -3.127 1.00 0.00 H ATOM 288 HG2 GLU A 17 -12.700 -0.914 -4.644 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.807 -2.388 -5.024 1.00 0.00 H ATOM 290 N ALA A 18 -11.027 -0.585 -0.546 1.00 0.00 N ATOM 291 CA ALA A 18 -11.595 -1.032 0.752 1.00 0.00 C ATOM 292 C ALA A 18 -12.201 0.162 1.492 1.00 0.00 C ATOM 293 O ALA A 18 -13.034 0.010 2.364 1.00 0.00 O ATOM 294 CB ALA A 18 -10.398 -1.593 1.521 1.00 0.00 C ATOM 295 H ALA A 18 -10.063 -0.507 -0.647 1.00 0.00 H ATOM 296 HA ALA A 18 -12.329 -1.800 0.596 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.015 -2.464 1.006 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.697 -1.867 2.518 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.621 -0.844 1.570 1.00 0.00 H ATOM 300 N PHE A 19 -11.786 1.346 1.142 1.00 0.00 N ATOM 301 CA PHE A 19 -12.327 2.557 1.808 1.00 0.00 C ATOM 302 C PHE A 19 -12.723 3.601 0.761 1.00 0.00 C ATOM 303 O PHE A 19 -13.802 3.546 0.202 1.00 0.00 O ATOM 304 CB PHE A 19 -11.187 3.074 2.679 1.00 0.00 C ATOM 305 CG PHE A 19 -11.248 2.407 4.033 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.078 2.925 5.034 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.475 1.266 4.283 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.135 2.303 6.287 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.531 0.645 5.535 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.361 1.162 6.537 1.00 0.00 C ATOM 311 H PHE A 19 -11.119 1.440 0.440 1.00 0.00 H ATOM 312 HA PHE A 19 -13.164 2.298 2.418 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.244 2.847 2.207 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.285 4.141 2.801 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.674 3.804 4.839 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.835 0.868 3.509 1.00 0.00 H ATOM 317 HE1 PHE A 19 -12.774 2.702 7.059 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.935 -0.235 5.729 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.405 0.683 7.504 1.00 0.00 H HETATM 320 N NH2 A 20 -11.884 4.556 0.462 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.123 5.223 -0.215 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.016 4.603 0.912 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 6 HETATM 1 C ACE A 1 12.021 -1.012 -0.132 1.00 0.00 C HETATM 2 O ACE A 1 11.015 -0.334 -0.058 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.966 -1.154 1.052 1.00 0.00 C HETATM 4 H1 ACE A 1 13.970 -1.307 0.692 1.00 0.00 H HETATM 5 H2 ACE A 1 12.661 -2.005 1.646 1.00 0.00 H HETATM 6 H3 ACE A 1 12.922 -0.262 1.654 1.00 0.00 H ATOM 7 N ASP A 2 12.304 -1.683 -1.210 1.00 0.00 N ATOM 8 CA ASP A 2 11.389 -1.618 -2.358 1.00 0.00 C ATOM 9 C ASP A 2 10.141 -2.330 -1.903 1.00 0.00 C ATOM 10 O ASP A 2 9.038 -1.947 -2.209 1.00 0.00 O ATOM 11 CB ASP A 2 12.086 -2.379 -3.485 1.00 0.00 C ATOM 12 CG ASP A 2 12.368 -3.812 -3.030 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.636 -3.997 -1.855 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.308 -4.702 -3.864 1.00 0.00 O ATOM 15 H ASP A 2 13.080 -2.258 -1.244 1.00 0.00 H ATOM 16 HA ASP A 2 11.187 -0.598 -2.638 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.448 -2.395 -4.358 1.00 0.00 H ATOM 18 HB3 ASP A 2 13.018 -1.891 -3.729 1.00 0.00 H ATOM 19 N TRP A 3 10.341 -3.355 -1.116 1.00 0.00 N ATOM 20 CA TRP A 3 9.206 -4.116 -0.559 1.00 0.00 C ATOM 21 C TRP A 3 8.445 -3.219 0.433 1.00 0.00 C ATOM 22 O TRP A 3 7.343 -3.518 0.846 1.00 0.00 O ATOM 23 CB TRP A 3 9.848 -5.318 0.156 1.00 0.00 C ATOM 24 CG TRP A 3 10.291 -4.876 1.506 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.908 -3.705 1.746 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.153 -5.542 2.792 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.116 -3.576 3.090 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.690 -4.693 3.787 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.616 -6.778 3.189 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.693 -5.055 5.133 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.622 -7.151 4.543 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.159 -6.290 5.513 1.00 0.00 C ATOM 33 H TRP A 3 11.252 -3.601 -0.870 1.00 0.00 H ATOM 34 HA TRP A 3 8.571 -4.450 -1.344 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.122 -6.114 0.253 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.699 -5.669 -0.409 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.166 -2.971 1.003 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.524 -2.800 3.511 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.200 -7.448 2.449 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.109 -4.389 5.873 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.211 -8.104 4.841 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.162 -6.583 6.552 1.00 0.00 H ATOM 43 N PHE A 4 9.045 -2.112 0.812 1.00 0.00 N ATOM 44 CA PHE A 4 8.397 -1.180 1.766 1.00 0.00 C ATOM 45 C PHE A 4 7.500 -0.257 0.977 1.00 0.00 C ATOM 46 O PHE A 4 6.294 -0.283 1.105 1.00 0.00 O ATOM 47 CB PHE A 4 9.542 -0.412 2.418 1.00 0.00 C ATOM 48 CG PHE A 4 9.496 -0.615 3.913 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.270 -0.581 4.588 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.682 -0.841 4.623 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.229 -0.774 5.975 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.642 -1.033 6.009 1.00 0.00 C ATOM 53 CZ PHE A 4 9.416 -1.000 6.685 1.00 0.00 C ATOM 54 H PHE A 4 9.922 -1.891 0.456 1.00 0.00 H ATOM 55 HA PHE A 4 7.843 -1.719 2.504 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.481 -0.779 2.035 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.444 0.639 2.195 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.355 -0.406 4.041 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.628 -0.866 4.102 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.284 -0.749 6.496 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.556 -1.207 6.556 1.00 0.00 H ATOM 62 HZ PHE A 4 9.385 -1.148 7.754 1.00 0.00 H ATOM 63 N LYS A 5 8.072 0.518 0.103 1.00 0.00 N ATOM 64 CA LYS A 5 7.221 1.375 -0.739 1.00 0.00 C ATOM 65 C LYS A 5 6.356 0.439 -1.580 1.00 0.00 C ATOM 66 O LYS A 5 5.355 0.831 -2.143 1.00 0.00 O ATOM 67 CB LYS A 5 8.171 2.200 -1.613 1.00 0.00 C ATOM 68 CG LYS A 5 7.419 2.695 -2.851 1.00 0.00 C ATOM 69 CD LYS A 5 7.825 4.139 -3.158 1.00 0.00 C ATOM 70 CE LYS A 5 6.624 4.907 -3.719 1.00 0.00 C ATOM 71 NZ LYS A 5 5.844 5.326 -2.522 1.00 0.00 N ATOM 72 H LYS A 5 9.041 0.489 -0.030 1.00 0.00 H ATOM 73 HA LYS A 5 6.611 2.017 -0.129 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.532 3.047 -1.047 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.004 1.587 -1.919 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.664 2.064 -3.695 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.356 2.653 -2.668 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.164 4.618 -2.250 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.621 4.143 -3.885 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.959 5.773 -4.273 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.024 4.267 -4.345 1.00 0.00 H ATOM 82 HZ1 LYS A 5 5.284 6.171 -2.750 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.499 5.542 -1.742 1.00 0.00 H ATOM 84 HZ3 LYS A 5 5.207 4.556 -2.238 1.00 0.00 H ATOM 85 N ALA A 6 6.732 -0.822 -1.639 1.00 0.00 N ATOM 86 CA ALA A 6 5.927 -1.803 -2.409 1.00 0.00 C ATOM 87 C ALA A 6 4.678 -2.157 -1.609 1.00 0.00 C ATOM 88 O ALA A 6 3.634 -2.456 -2.154 1.00 0.00 O ATOM 89 CB ALA A 6 6.828 -3.018 -2.560 1.00 0.00 C ATOM 90 H ALA A 6 7.539 -1.127 -1.156 1.00 0.00 H ATOM 91 HA ALA A 6 5.668 -1.414 -3.371 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.501 -2.865 -3.393 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.229 -3.896 -2.733 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.400 -3.140 -1.658 1.00 0.00 H ATOM 95 N PHE A 7 4.782 -2.106 -0.308 1.00 0.00 N ATOM 96 CA PHE A 7 3.616 -2.418 0.547 1.00 0.00 C ATOM 97 C PHE A 7 2.683 -1.214 0.592 1.00 0.00 C ATOM 98 O PHE A 7 1.500 -1.330 0.382 1.00 0.00 O ATOM 99 CB PHE A 7 4.199 -2.704 1.930 1.00 0.00 C ATOM 100 CG PHE A 7 4.783 -4.103 1.980 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.792 -4.914 0.834 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.323 -4.589 3.179 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.335 -6.201 0.891 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.868 -5.877 3.232 1.00 0.00 C ATOM 105 CZ PHE A 7 5.874 -6.683 2.088 1.00 0.00 C ATOM 106 H PHE A 7 5.628 -1.850 0.104 1.00 0.00 H ATOM 107 HA PHE A 7 3.099 -3.277 0.177 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.976 -1.986 2.140 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.418 -2.615 2.671 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.379 -4.544 -0.092 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.318 -3.970 4.063 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.339 -6.824 0.009 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.283 -6.250 4.155 1.00 0.00 H ATOM 114 HZ PHE A 7 6.294 -7.677 2.131 1.00 0.00 H ATOM 115 N TYR A 8 3.203 -0.052 0.848 1.00 0.00 N ATOM 116 CA TYR A 8 2.318 1.139 0.885 1.00 0.00 C ATOM 117 C TYR A 8 1.665 1.336 -0.479 1.00 0.00 C ATOM 118 O TYR A 8 0.591 1.884 -0.589 1.00 0.00 O ATOM 119 CB TYR A 8 3.226 2.313 1.227 1.00 0.00 C ATOM 120 CG TYR A 8 3.275 2.475 2.724 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.157 2.958 3.414 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.436 2.134 3.422 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.201 3.099 4.807 1.00 0.00 C ATOM 124 CE2 TYR A 8 4.483 2.277 4.812 1.00 0.00 C ATOM 125 CZ TYR A 8 3.365 2.759 5.507 1.00 0.00 C ATOM 126 OH TYR A 8 3.410 2.897 6.880 1.00 0.00 O ATOM 127 H TYR A 8 4.164 0.038 1.008 1.00 0.00 H ATOM 128 HA TYR A 8 1.572 1.021 1.647 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.219 2.122 0.850 1.00 0.00 H ATOM 130 HB3 TYR A 8 2.834 3.214 0.780 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.260 3.221 2.874 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.299 1.763 2.888 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.337 3.468 5.339 1.00 0.00 H ATOM 134 HE2 TYR A 8 5.381 2.014 5.349 1.00 0.00 H ATOM 135 HH TYR A 8 3.280 2.029 7.269 1.00 0.00 H ATOM 136 N ASP A 9 2.301 0.887 -1.524 1.00 0.00 N ATOM 137 CA ASP A 9 1.705 1.051 -2.872 1.00 0.00 C ATOM 138 C ASP A 9 0.507 0.114 -3.040 1.00 0.00 C ATOM 139 O ASP A 9 -0.614 0.551 -3.208 1.00 0.00 O ATOM 140 CB ASP A 9 2.818 0.685 -3.853 1.00 0.00 C ATOM 141 CG ASP A 9 2.524 1.328 -5.208 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.524 0.969 -5.807 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.300 2.172 -5.622 1.00 0.00 O ATOM 144 H ASP A 9 3.165 0.443 -1.419 1.00 0.00 H ATOM 145 HA ASP A 9 1.409 2.070 -3.024 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.760 1.048 -3.475 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.861 -0.387 -3.965 1.00 0.00 H ATOM 148 N LYS A 10 0.735 -1.170 -3.004 1.00 0.00 N ATOM 149 CA LYS A 10 -0.394 -2.124 -3.170 1.00 0.00 C ATOM 150 C LYS A 10 -1.298 -2.123 -1.931 1.00 0.00 C ATOM 151 O LYS A 10 -2.506 -2.165 -2.042 1.00 0.00 O ATOM 152 CB LYS A 10 0.263 -3.487 -3.376 1.00 0.00 C ATOM 153 CG LYS A 10 0.621 -3.652 -4.855 1.00 0.00 C ATOM 154 CD LYS A 10 0.138 -5.017 -5.354 1.00 0.00 C ATOM 155 CE LYS A 10 1.075 -5.528 -6.453 1.00 0.00 C ATOM 156 NZ LYS A 10 1.176 -4.408 -7.431 1.00 0.00 N ATOM 157 H LYS A 10 1.645 -1.505 -2.875 1.00 0.00 H ATOM 158 HA LYS A 10 -0.963 -1.868 -4.042 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.158 -3.548 -2.777 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.424 -4.266 -3.083 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.141 -2.871 -5.429 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.692 -3.583 -4.978 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.133 -5.716 -4.531 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.861 -4.922 -5.751 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.047 -5.759 -6.039 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.652 -6.399 -6.930 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.996 -3.815 -7.196 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.309 -3.834 -7.391 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.293 -4.793 -8.390 1.00 0.00 H ATOM 170 N VAL A 11 -0.741 -2.071 -0.750 1.00 0.00 N ATOM 171 CA VAL A 11 -1.612 -2.066 0.458 1.00 0.00 C ATOM 172 C VAL A 11 -2.458 -0.787 0.480 1.00 0.00 C ATOM 173 O VAL A 11 -3.668 -0.840 0.580 1.00 0.00 O ATOM 174 CB VAL A 11 -0.671 -2.175 1.668 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.371 -0.795 2.266 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.339 -3.045 2.733 1.00 0.00 C ATOM 177 H VAL A 11 0.229 -2.037 -0.660 1.00 0.00 H ATOM 178 HA VAL A 11 -2.255 -2.927 0.432 1.00 0.00 H ATOM 179 HB VAL A 11 0.249 -2.641 1.358 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.191 -0.915 3.181 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.300 -0.288 2.480 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.204 -0.215 1.566 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.803 -2.946 3.666 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.322 -4.078 2.415 1.00 0.00 H ATOM 185 HG23 VAL A 11 -2.362 -2.726 2.868 1.00 0.00 H ATOM 186 N ALA A 12 -1.845 0.361 0.353 1.00 0.00 N ATOM 187 CA ALA A 12 -2.647 1.613 0.333 1.00 0.00 C ATOM 188 C ALA A 12 -3.607 1.551 -0.844 1.00 0.00 C ATOM 189 O ALA A 12 -4.651 2.169 -0.837 1.00 0.00 O ATOM 190 CB ALA A 12 -1.646 2.746 0.186 1.00 0.00 C ATOM 191 H ALA A 12 -0.876 0.397 0.247 1.00 0.00 H ATOM 192 HA ALA A 12 -3.197 1.724 1.247 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.123 3.679 0.439 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.294 2.782 -0.832 1.00 0.00 H ATOM 195 HB3 ALA A 12 -0.815 2.574 0.854 1.00 0.00 H ATOM 196 N GLU A 13 -3.286 0.767 -1.840 1.00 0.00 N ATOM 197 CA GLU A 13 -4.220 0.623 -2.980 1.00 0.00 C ATOM 198 C GLU A 13 -5.408 -0.196 -2.481 1.00 0.00 C ATOM 199 O GLU A 13 -6.508 -0.105 -2.994 1.00 0.00 O ATOM 200 CB GLU A 13 -3.453 -0.119 -4.076 1.00 0.00 C ATOM 201 CG GLU A 13 -4.389 -0.376 -5.258 1.00 0.00 C ATOM 202 CD GLU A 13 -4.786 -1.852 -5.284 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.072 -2.386 -4.224 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.795 -2.425 -6.362 1.00 0.00 O ATOM 205 H GLU A 13 -2.459 0.252 -1.812 1.00 0.00 H ATOM 206 HA GLU A 13 -4.537 1.591 -3.328 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.616 0.485 -4.400 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.094 -1.058 -3.694 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.275 0.233 -5.154 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.886 -0.124 -6.179 1.00 0.00 H ATOM 211 N LYS A 14 -5.194 -0.962 -1.435 1.00 0.00 N ATOM 212 CA LYS A 14 -6.285 -1.746 -0.836 1.00 0.00 C ATOM 213 C LYS A 14 -7.041 -0.803 0.079 1.00 0.00 C ATOM 214 O LYS A 14 -8.212 -0.942 0.307 1.00 0.00 O ATOM 215 CB LYS A 14 -5.602 -2.856 -0.040 1.00 0.00 C ATOM 216 CG LYS A 14 -5.854 -4.202 -0.720 1.00 0.00 C ATOM 217 CD LYS A 14 -6.944 -4.962 0.041 1.00 0.00 C ATOM 218 CE LYS A 14 -6.419 -5.372 1.419 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.170 -6.135 1.147 1.00 0.00 N ATOM 220 H LYS A 14 -4.322 -0.983 -1.017 1.00 0.00 H ATOM 221 HA LYS A 14 -6.922 -2.156 -1.590 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.541 -2.665 0.000 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.006 -2.879 0.958 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.173 -4.035 -1.738 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.944 -4.782 -0.717 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.811 -4.327 0.159 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.220 -5.846 -0.515 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.205 -4.496 2.014 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.135 -6.004 1.923 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.365 -5.478 1.105 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.260 -6.633 0.237 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.010 -6.824 1.907 1.00 0.00 H ATOM 233 N PHE A 15 -6.371 0.198 0.575 1.00 0.00 N ATOM 234 CA PHE A 15 -7.065 1.182 1.429 1.00 0.00 C ATOM 235 C PHE A 15 -7.968 2.000 0.517 1.00 0.00 C ATOM 236 O PHE A 15 -9.032 2.451 0.896 1.00 0.00 O ATOM 237 CB PHE A 15 -5.957 2.040 2.046 1.00 0.00 C ATOM 238 CG PHE A 15 -6.566 3.253 2.704 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.379 3.101 3.832 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.322 4.529 2.184 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.950 4.226 4.440 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.891 5.654 2.792 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.705 5.502 3.921 1.00 0.00 C ATOM 244 H PHE A 15 -5.428 0.318 0.356 1.00 0.00 H ATOM 245 HA PHE A 15 -7.636 0.684 2.186 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.422 1.460 2.785 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.272 2.356 1.273 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.566 2.117 4.233 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.691 4.646 1.313 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.577 4.108 5.311 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.702 6.640 2.391 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.146 6.369 4.389 1.00 0.00 H ATOM 253 N LYS A 16 -7.551 2.145 -0.710 1.00 0.00 N ATOM 254 CA LYS A 16 -8.372 2.881 -1.700 1.00 0.00 C ATOM 255 C LYS A 16 -9.489 1.958 -2.182 1.00 0.00 C ATOM 256 O LYS A 16 -10.569 2.389 -2.534 1.00 0.00 O ATOM 257 CB LYS A 16 -7.418 3.216 -2.846 1.00 0.00 C ATOM 258 CG LYS A 16 -6.822 4.608 -2.631 1.00 0.00 C ATOM 259 CD LYS A 16 -5.659 4.832 -3.606 1.00 0.00 C ATOM 260 CE LYS A 16 -6.076 4.428 -5.024 1.00 0.00 C ATOM 261 NZ LYS A 16 -4.806 4.395 -5.807 1.00 0.00 N ATOM 262 H LYS A 16 -6.706 1.741 -0.984 1.00 0.00 H ATOM 263 HA LYS A 16 -8.771 3.776 -1.266 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.626 2.484 -2.877 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.962 3.199 -3.778 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.585 5.352 -2.803 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.460 4.691 -1.619 1.00 0.00 H ATOM 268 HD2 LYS A 16 -5.382 5.876 -3.598 1.00 0.00 H ATOM 269 HD3 LYS A 16 -4.813 4.234 -3.299 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.540 3.450 -5.015 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.747 5.161 -5.443 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -4.061 4.904 -5.290 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -4.958 4.848 -6.732 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -4.512 3.408 -5.949 1.00 0.00 H ATOM 275 N GLU A 17 -9.231 0.677 -2.163 1.00 0.00 N ATOM 276 CA GLU A 17 -10.256 -0.311 -2.579 1.00 0.00 C ATOM 277 C GLU A 17 -11.079 -0.665 -1.349 1.00 0.00 C ATOM 278 O GLU A 17 -12.232 -0.300 -1.222 1.00 0.00 O ATOM 279 CB GLU A 17 -9.460 -1.518 -3.065 1.00 0.00 C ATOM 280 CG GLU A 17 -10.164 -2.161 -4.259 1.00 0.00 C ATOM 281 CD GLU A 17 -9.296 -3.295 -4.808 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.113 -3.067 -5.005 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.828 -4.373 -5.020 1.00 0.00 O ATOM 284 H GLU A 17 -8.362 0.365 -1.849 1.00 0.00 H ATOM 285 HA GLU A 17 -10.869 0.080 -3.362 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.474 -1.196 -3.361 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.380 -2.239 -2.268 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.119 -2.557 -3.943 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.319 -1.421 -5.029 1.00 0.00 H ATOM 290 N ALA A 18 -10.461 -1.342 -0.423 1.00 0.00 N ATOM 291 CA ALA A 18 -11.140 -1.701 0.846 1.00 0.00 C ATOM 292 C ALA A 18 -12.015 -0.524 1.296 1.00 0.00 C ATOM 293 O ALA A 18 -13.054 -0.701 1.899 1.00 0.00 O ATOM 294 CB ALA A 18 -9.983 -1.942 1.827 1.00 0.00 C ATOM 295 H ALA A 18 -9.528 -1.590 -0.555 1.00 0.00 H ATOM 296 HA ALA A 18 -11.727 -2.598 0.727 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.308 -2.682 1.413 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.368 -2.293 2.769 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.443 -1.017 1.981 1.00 0.00 H ATOM 300 N PHE A 19 -11.603 0.680 0.981 1.00 0.00 N ATOM 301 CA PHE A 19 -12.405 1.878 1.356 1.00 0.00 C ATOM 302 C PHE A 19 -12.118 3.030 0.393 1.00 0.00 C ATOM 303 O PHE A 19 -11.460 3.990 0.746 1.00 0.00 O ATOM 304 CB PHE A 19 -11.960 2.254 2.763 1.00 0.00 C ATOM 305 CG PHE A 19 -12.970 1.748 3.763 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.341 1.869 3.502 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.535 1.154 4.953 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.276 1.395 4.431 1.00 0.00 C ATOM 309 CE2 PHE A 19 -13.467 0.681 5.882 1.00 0.00 C ATOM 310 CZ PHE A 19 -14.838 0.802 5.621 1.00 0.00 C ATOM 311 H PHE A 19 -10.774 0.795 0.482 1.00 0.00 H ATOM 312 HA PHE A 19 -13.446 1.638 1.354 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.996 1.813 2.962 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.891 3.329 2.835 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.678 2.328 2.583 1.00 0.00 H ATOM 316 HD2 PHE A 19 -11.478 1.062 5.154 1.00 0.00 H ATOM 317 HE1 PHE A 19 -16.333 1.489 4.231 1.00 0.00 H ATOM 318 HE2 PHE A 19 -13.130 0.223 6.799 1.00 0.00 H ATOM 319 HZ PHE A 19 -15.558 0.436 6.338 1.00 0.00 H HETATM 320 N NH2 A 20 -12.589 2.979 -0.820 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.416 3.713 -1.446 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.119 2.205 -1.106 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 7 HETATM 1 C ACE A 1 12.251 -1.120 -0.770 1.00 0.00 C HETATM 2 O ACE A 1 11.271 -0.406 -0.726 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.314 -1.075 0.320 1.00 0.00 C HETATM 4 H1 ACE A 1 13.017 -1.729 1.130 1.00 0.00 H HETATM 5 H2 ACE A 1 13.408 -0.067 0.687 1.00 0.00 H HETATM 6 H3 ACE A 1 14.255 -1.409 -0.084 1.00 0.00 H ATOM 7 N ASP A 2 12.406 -1.990 -1.722 1.00 0.00 N ATOM 8 CA ASP A 2 11.373 -2.106 -2.762 1.00 0.00 C ATOM 9 C ASP A 2 10.179 -2.712 -2.067 1.00 0.00 C ATOM 10 O ASP A 2 9.046 -2.412 -2.358 1.00 0.00 O ATOM 11 CB ASP A 2 11.945 -3.051 -3.817 1.00 0.00 C ATOM 12 CG ASP A 2 13.067 -2.345 -4.581 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.951 -1.150 -4.793 1.00 0.00 O ATOM 14 OD2 ASP A 2 14.023 -3.012 -4.941 1.00 0.00 O ATOM 15 H ASP A 2 13.164 -2.589 -1.722 1.00 0.00 H ATOM 16 HA ASP A 2 11.139 -1.148 -3.186 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.338 -3.934 -3.334 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.165 -3.332 -4.507 1.00 0.00 H ATOM 19 N TRP A 3 10.465 -3.547 -1.103 1.00 0.00 N ATOM 20 CA TRP A 3 9.400 -4.188 -0.306 1.00 0.00 C ATOM 21 C TRP A 3 8.745 -3.135 0.613 1.00 0.00 C ATOM 22 O TRP A 3 7.687 -3.353 1.165 1.00 0.00 O ATOM 23 CB TRP A 3 10.133 -5.263 0.523 1.00 0.00 C ATOM 24 CG TRP A 3 10.689 -4.606 1.737 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.334 -3.427 1.718 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.650 -5.032 3.129 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.637 -3.060 2.998 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.267 -4.029 3.913 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.140 -6.167 3.782 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.375 -4.145 5.297 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.253 -6.292 5.176 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.868 -5.283 5.932 1.00 0.00 C ATOM 33 H TRP A 3 11.399 -3.734 -0.890 1.00 0.00 H ATOM 34 HA TRP A 3 8.684 -4.642 -0.946 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.440 -6.038 0.810 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.936 -5.687 -0.060 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.536 -2.840 0.841 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.071 -2.227 3.240 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.665 -6.948 3.208 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.850 -3.365 5.873 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.864 -7.170 5.669 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.951 -5.386 7.004 1.00 0.00 H ATOM 43 N PHE A 4 9.388 -2.001 0.780 1.00 0.00 N ATOM 44 CA PHE A 4 8.838 -0.936 1.658 1.00 0.00 C ATOM 45 C PHE A 4 7.836 -0.137 0.858 1.00 0.00 C ATOM 46 O PHE A 4 6.667 -0.092 1.170 1.00 0.00 O ATOM 47 CB PHE A 4 10.039 -0.077 2.058 1.00 0.00 C ATOM 48 CG PHE A 4 9.556 1.254 2.578 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.288 2.298 1.685 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.374 1.443 3.952 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.837 3.533 2.168 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.924 2.678 4.435 1.00 0.00 C ATOM 53 CZ PHE A 4 8.655 3.723 3.543 1.00 0.00 C ATOM 54 H PHE A 4 10.234 -1.850 0.326 1.00 0.00 H ATOM 55 HA PHE A 4 8.383 -1.368 2.527 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.601 -0.582 2.830 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.671 0.083 1.200 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.427 2.152 0.625 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.582 0.637 4.641 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.631 4.339 1.480 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.785 2.825 5.497 1.00 0.00 H ATOM 62 HZ PHE A 4 8.307 4.674 3.917 1.00 0.00 H ATOM 63 N LYS A 5 8.278 0.448 -0.212 1.00 0.00 N ATOM 64 CA LYS A 5 7.335 1.183 -1.075 1.00 0.00 C ATOM 65 C LYS A 5 6.388 0.148 -1.681 1.00 0.00 C ATOM 66 O LYS A 5 5.357 0.470 -2.241 1.00 0.00 O ATOM 67 CB LYS A 5 8.208 1.843 -2.146 1.00 0.00 C ATOM 68 CG LYS A 5 7.333 2.399 -3.274 1.00 0.00 C ATOM 69 CD LYS A 5 6.920 3.832 -2.940 1.00 0.00 C ATOM 70 CE LYS A 5 7.479 4.785 -3.999 1.00 0.00 C ATOM 71 NZ LYS A 5 6.975 4.264 -5.304 1.00 0.00 N ATOM 72 H LYS A 5 9.216 0.361 -0.469 1.00 0.00 H ATOM 73 HA LYS A 5 6.796 1.925 -0.508 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.772 2.649 -1.699 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.890 1.110 -2.551 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.894 2.392 -4.198 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.452 1.789 -3.385 1.00 0.00 H ATOM 78 HD2 LYS A 5 5.842 3.901 -2.924 1.00 0.00 H ATOM 79 HD3 LYS A 5 7.312 4.102 -1.971 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.114 5.789 -3.827 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.558 4.770 -3.986 1.00 0.00 H ATOM 82 HZ1 LYS A 5 7.769 3.881 -5.854 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.527 5.039 -5.835 1.00 0.00 H ATOM 84 HZ3 LYS A 5 6.279 3.511 -5.136 1.00 0.00 H ATOM 85 N ALA A 6 6.740 -1.113 -1.556 1.00 0.00 N ATOM 86 CA ALA A 6 5.882 -2.189 -2.110 1.00 0.00 C ATOM 87 C ALA A 6 4.674 -2.432 -1.203 1.00 0.00 C ATOM 88 O ALA A 6 3.572 -2.640 -1.667 1.00 0.00 O ATOM 89 CB ALA A 6 6.787 -3.411 -2.148 1.00 0.00 C ATOM 90 H ALA A 6 7.575 -1.353 -1.088 1.00 0.00 H ATOM 91 HA ALA A 6 5.569 -1.943 -3.103 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.345 -3.414 -3.075 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.195 -4.307 -2.079 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.474 -3.363 -1.320 1.00 0.00 H ATOM 95 N PHE A 7 4.870 -2.411 0.090 1.00 0.00 N ATOM 96 CA PHE A 7 3.727 -2.643 1.011 1.00 0.00 C ATOM 97 C PHE A 7 2.925 -1.353 1.193 1.00 0.00 C ATOM 98 O PHE A 7 1.710 -1.366 1.263 1.00 0.00 O ATOM 99 CB PHE A 7 4.353 -3.124 2.333 1.00 0.00 C ATOM 100 CG PHE A 7 4.869 -1.958 3.155 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.973 -1.062 3.749 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.248 -1.785 3.335 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.452 0.008 4.516 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.727 -0.716 4.102 1.00 0.00 C ATOM 105 CZ PHE A 7 5.829 0.180 4.692 1.00 0.00 C ATOM 106 H PHE A 7 5.760 -2.245 0.450 1.00 0.00 H ATOM 107 HA PHE A 7 3.094 -3.411 0.610 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.608 -3.656 2.906 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.173 -3.793 2.112 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.914 -1.193 3.611 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.944 -2.477 2.885 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.759 0.697 4.973 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.790 -0.583 4.238 1.00 0.00 H ATOM 114 HZ PHE A 7 6.199 1.005 5.283 1.00 0.00 H ATOM 115 N TYR A 8 3.595 -0.239 1.256 1.00 0.00 N ATOM 116 CA TYR A 8 2.885 1.055 1.422 1.00 0.00 C ATOM 117 C TYR A 8 2.040 1.347 0.182 1.00 0.00 C ATOM 118 O TYR A 8 1.027 2.013 0.251 1.00 0.00 O ATOM 119 CB TYR A 8 3.993 2.093 1.575 1.00 0.00 C ATOM 120 CG TYR A 8 3.408 3.364 2.137 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.226 3.497 3.518 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.046 4.408 1.278 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.680 4.674 4.041 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.500 5.586 1.802 1.00 0.00 C ATOM 125 CZ TYR A 8 2.318 5.719 3.183 1.00 0.00 C ATOM 126 OH TYR A 8 1.779 6.880 3.697 1.00 0.00 O ATOM 127 H TYR A 8 4.566 -0.252 1.190 1.00 0.00 H ATOM 128 HA TYR A 8 2.273 1.038 2.304 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.749 1.713 2.248 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.434 2.293 0.612 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.507 2.691 4.179 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.186 4.305 0.212 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.539 4.776 5.107 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.220 6.392 1.139 1.00 0.00 H ATOM 135 HH TYR A 8 1.982 7.595 3.088 1.00 0.00 H ATOM 136 N ASP A 9 2.451 0.848 -0.952 1.00 0.00 N ATOM 137 CA ASP A 9 1.673 1.090 -2.194 1.00 0.00 C ATOM 138 C ASP A 9 0.479 0.138 -2.257 1.00 0.00 C ATOM 139 O ASP A 9 -0.661 0.551 -2.206 1.00 0.00 O ATOM 140 CB ASP A 9 2.647 0.807 -3.334 1.00 0.00 C ATOM 141 CG ASP A 9 3.338 2.105 -3.752 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.503 2.965 -2.903 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.691 2.218 -4.915 1.00 0.00 O ATOM 144 H ASP A 9 3.268 0.313 -0.986 1.00 0.00 H ATOM 145 HA ASP A 9 1.349 2.110 -2.237 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.386 0.094 -3.003 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.104 0.403 -4.175 1.00 0.00 H ATOM 148 N LYS A 10 0.737 -1.136 -2.366 1.00 0.00 N ATOM 149 CA LYS A 10 -0.376 -2.123 -2.431 1.00 0.00 C ATOM 150 C LYS A 10 -1.386 -1.855 -1.309 1.00 0.00 C ATOM 151 O LYS A 10 -2.572 -2.057 -1.470 1.00 0.00 O ATOM 152 CB LYS A 10 0.307 -3.488 -2.250 1.00 0.00 C ATOM 153 CG LYS A 10 -0.657 -4.492 -1.606 1.00 0.00 C ATOM 154 CD LYS A 10 -0.527 -5.847 -2.301 1.00 0.00 C ATOM 155 CE LYS A 10 -1.836 -6.627 -2.142 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.854 -7.603 -3.270 1.00 0.00 N ATOM 157 H LYS A 10 1.667 -1.444 -2.404 1.00 0.00 H ATOM 158 HA LYS A 10 -0.862 -2.080 -3.393 1.00 0.00 H ATOM 159 HB2 LYS A 10 0.619 -3.862 -3.214 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.175 -3.371 -1.616 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.415 -4.599 -0.558 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.671 -4.134 -1.706 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.321 -5.696 -3.351 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.279 -6.406 -1.852 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.848 -7.146 -1.194 1.00 0.00 H ATOM 166 HE3 LYS A 10 -2.682 -5.960 -2.217 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -2.771 -7.553 -3.756 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.709 -8.563 -2.897 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -1.095 -7.374 -3.944 1.00 0.00 H ATOM 170 N VAL A 11 -0.924 -1.413 -0.174 1.00 0.00 N ATOM 171 CA VAL A 11 -1.859 -1.149 0.951 1.00 0.00 C ATOM 172 C VAL A 11 -2.733 0.072 0.664 1.00 0.00 C ATOM 173 O VAL A 11 -3.926 0.058 0.891 1.00 0.00 O ATOM 174 CB VAL A 11 -0.969 -0.908 2.155 1.00 0.00 C ATOM 175 CG1 VAL A 11 -1.783 -0.276 3.284 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.382 -2.240 2.629 1.00 0.00 C ATOM 177 H VAL A 11 0.036 -1.266 -0.056 1.00 0.00 H ATOM 178 HA VAL A 11 -2.462 -2.001 1.127 1.00 0.00 H ATOM 179 HB VAL A 11 -0.181 -0.252 1.867 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.732 0.801 3.206 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.382 -0.587 4.237 1.00 0.00 H ATOM 182 HG13 VAL A 11 -2.812 -0.594 3.206 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.247 -2.896 1.782 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.057 -2.698 3.336 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.572 -2.064 3.105 1.00 0.00 H ATOM 186 N ALA A 12 -2.155 1.132 0.171 1.00 0.00 N ATOM 187 CA ALA A 12 -2.963 2.344 -0.119 1.00 0.00 C ATOM 188 C ALA A 12 -3.936 2.079 -1.263 1.00 0.00 C ATOM 189 O ALA A 12 -4.960 2.722 -1.382 1.00 0.00 O ATOM 190 CB ALA A 12 -1.954 3.416 -0.505 1.00 0.00 C ATOM 191 H ALA A 12 -1.193 1.131 -0.003 1.00 0.00 H ATOM 192 HA ALA A 12 -3.499 2.648 0.755 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.821 4.095 0.324 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.321 3.960 -1.362 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.012 2.950 -0.746 1.00 0.00 H ATOM 196 N GLU A 13 -3.635 1.130 -2.099 1.00 0.00 N ATOM 197 CA GLU A 13 -4.555 0.825 -3.219 1.00 0.00 C ATOM 198 C GLU A 13 -5.686 -0.060 -2.711 1.00 0.00 C ATOM 199 O GLU A 13 -6.786 -0.051 -3.230 1.00 0.00 O ATOM 200 CB GLU A 13 -3.708 0.087 -4.255 1.00 0.00 C ATOM 201 CG GLU A 13 -4.504 -0.064 -5.554 1.00 0.00 C ATOM 202 CD GLU A 13 -4.572 -1.543 -5.943 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.532 -2.103 -6.250 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.663 -2.088 -5.930 1.00 0.00 O ATOM 205 H GLU A 13 -2.814 0.615 -1.984 1.00 0.00 H ATOM 206 HA GLU A 13 -4.942 1.731 -3.634 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.807 0.649 -4.448 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.450 -0.890 -3.877 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.504 0.317 -5.409 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.017 0.492 -6.341 1.00 0.00 H ATOM 211 N LYS A 14 -5.425 -0.811 -1.681 1.00 0.00 N ATOM 212 CA LYS A 14 -6.474 -1.683 -1.120 1.00 0.00 C ATOM 213 C LYS A 14 -7.285 -0.891 -0.111 1.00 0.00 C ATOM 214 O LYS A 14 -8.412 -1.208 0.185 1.00 0.00 O ATOM 215 CB LYS A 14 -5.726 -2.836 -0.452 1.00 0.00 C ATOM 216 CG LYS A 14 -6.730 -3.822 0.148 1.00 0.00 C ATOM 217 CD LYS A 14 -6.943 -4.987 -0.822 1.00 0.00 C ATOM 218 CE LYS A 14 -6.274 -6.250 -0.264 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.389 -7.192 0.052 1.00 0.00 N ATOM 220 H LYS A 14 -4.544 -0.787 -1.267 1.00 0.00 H ATOM 221 HA LYS A 14 -7.104 -2.047 -1.903 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.118 -3.342 -1.188 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.094 -2.448 0.333 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.347 -4.198 1.086 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.670 -3.321 0.316 1.00 0.00 H ATOM 226 HD2 LYS A 14 -8.001 -5.160 -0.947 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.504 -4.744 -1.778 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.614 -6.681 -1.005 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.723 -6.015 0.635 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.158 -8.136 -0.318 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -8.270 -6.854 -0.384 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.512 -7.249 1.083 1.00 0.00 H ATOM 233 N PHE A 15 -6.727 0.161 0.403 1.00 0.00 N ATOM 234 CA PHE A 15 -7.487 0.978 1.368 1.00 0.00 C ATOM 235 C PHE A 15 -8.388 1.927 0.594 1.00 0.00 C ATOM 236 O PHE A 15 -9.461 2.289 1.033 1.00 0.00 O ATOM 237 CB PHE A 15 -6.441 1.737 2.176 1.00 0.00 C ATOM 238 CG PHE A 15 -6.317 1.116 3.546 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.202 1.488 4.565 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.319 0.166 3.799 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.089 0.912 5.836 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.206 -0.410 5.070 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.092 -0.037 6.088 1.00 0.00 C ATOM 244 H PHE A 15 -5.823 0.422 0.139 1.00 0.00 H ATOM 245 HA PHE A 15 -8.065 0.349 2.006 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.490 1.686 1.669 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.745 2.767 2.276 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.972 2.221 4.371 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.636 -0.122 3.013 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.773 1.199 6.622 1.00 0.00 H ATOM 251 HE2 PHE A 15 -4.436 -1.142 5.265 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.004 -0.482 7.069 1.00 0.00 H ATOM 253 N LYS A 16 -7.969 2.306 -0.577 1.00 0.00 N ATOM 254 CA LYS A 16 -8.805 3.208 -1.401 1.00 0.00 C ATOM 255 C LYS A 16 -9.803 2.371 -2.196 1.00 0.00 C ATOM 256 O LYS A 16 -10.842 2.845 -2.612 1.00 0.00 O ATOM 257 CB LYS A 16 -7.832 3.928 -2.328 1.00 0.00 C ATOM 258 CG LYS A 16 -7.369 5.231 -1.671 1.00 0.00 C ATOM 259 CD LYS A 16 -7.488 6.379 -2.675 1.00 0.00 C ATOM 260 CE LYS A 16 -6.093 6.792 -3.154 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.079 8.279 -3.065 1.00 0.00 N ATOM 262 H LYS A 16 -7.115 1.978 -0.921 1.00 0.00 H ATOM 263 HA LYS A 16 -9.313 3.912 -0.778 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.980 3.294 -2.514 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.328 4.154 -3.259 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.987 5.439 -0.809 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.340 5.133 -1.360 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.077 6.054 -3.521 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.969 7.221 -2.203 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.335 6.366 -2.511 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.939 6.482 -4.176 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.173 8.640 -3.423 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.200 8.568 -2.072 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.856 8.668 -3.637 1.00 0.00 H ATOM 275 N GLU A 17 -9.495 1.119 -2.394 1.00 0.00 N ATOM 276 CA GLU A 17 -10.421 0.233 -3.140 1.00 0.00 C ATOM 277 C GLU A 17 -11.209 -0.620 -2.149 1.00 0.00 C ATOM 278 O GLU A 17 -12.424 -0.624 -2.143 1.00 0.00 O ATOM 279 CB GLU A 17 -9.525 -0.639 -4.022 1.00 0.00 C ATOM 280 CG GLU A 17 -10.319 -1.848 -4.519 1.00 0.00 C ATOM 281 CD GLU A 17 -10.253 -1.912 -6.047 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.292 -2.466 -6.556 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.164 -1.407 -6.683 1.00 0.00 O ATOM 284 H GLU A 17 -8.659 0.758 -2.038 1.00 0.00 H ATOM 285 HA GLU A 17 -11.082 0.818 -3.742 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.181 -0.061 -4.867 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.677 -0.980 -3.448 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.900 -2.751 -4.102 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.349 -1.753 -4.210 1.00 0.00 H ATOM 290 N ALA A 18 -10.522 -1.331 -1.302 1.00 0.00 N ATOM 291 CA ALA A 18 -11.216 -2.173 -0.297 1.00 0.00 C ATOM 292 C ALA A 18 -11.827 -1.283 0.784 1.00 0.00 C ATOM 293 O ALA A 18 -12.704 -1.692 1.520 1.00 0.00 O ATOM 294 CB ALA A 18 -10.121 -3.057 0.293 1.00 0.00 C ATOM 295 H ALA A 18 -9.547 -1.305 -1.323 1.00 0.00 H ATOM 296 HA ALA A 18 -11.969 -2.778 -0.767 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.546 -3.994 0.612 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.675 -2.556 1.139 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.365 -3.240 -0.457 1.00 0.00 H ATOM 300 N PHE A 19 -11.370 -0.064 0.883 1.00 0.00 N ATOM 301 CA PHE A 19 -11.921 0.854 1.914 1.00 0.00 C ATOM 302 C PHE A 19 -12.377 2.166 1.270 1.00 0.00 C ATOM 303 O PHE A 19 -12.782 3.087 1.950 1.00 0.00 O ATOM 304 CB PHE A 19 -10.772 1.105 2.885 1.00 0.00 C ATOM 305 CG PHE A 19 -11.045 0.399 4.191 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.202 -0.991 4.213 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.138 1.135 5.378 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.455 -1.647 5.423 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.390 0.479 6.589 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.549 -0.912 6.611 1.00 0.00 C ATOM 311 H PHE A 19 -10.667 0.247 0.282 1.00 0.00 H ATOM 312 HA PHE A 19 -12.732 0.386 2.426 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.856 0.730 2.457 1.00 0.00 H ATOM 314 HB3 PHE A 19 -10.681 2.165 3.062 1.00 0.00 H ATOM 315 HD1 PHE A 19 -11.129 -1.556 3.296 1.00 0.00 H ATOM 316 HD2 PHE A 19 -11.017 2.209 5.361 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.576 -2.719 5.439 1.00 0.00 H ATOM 318 HE2 PHE A 19 -11.462 1.044 7.506 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.743 -1.420 7.545 1.00 0.00 H HETATM 320 N NH2 A 20 -12.327 2.292 -0.027 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.612 3.129 -0.449 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.001 1.552 -0.580 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 8 HETATM 1 C ACE A 1 12.185 -0.498 -0.747 1.00 0.00 C HETATM 2 O ACE A 1 11.117 0.063 -0.610 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.255 -0.434 0.334 1.00 0.00 C HETATM 4 H1 ACE A 1 12.845 -0.817 1.259 1.00 0.00 H HETATM 5 H2 ACE A 1 13.568 0.587 0.472 1.00 0.00 H HETATM 6 H3 ACE A 1 14.098 -1.039 0.038 1.00 0.00 H ATOM 7 N ASP A 2 12.440 -1.216 -1.801 1.00 0.00 N ATOM 8 CA ASP A 2 11.413 -1.351 -2.845 1.00 0.00 C ATOM 9 C ASP A 2 10.293 -2.131 -2.206 1.00 0.00 C ATOM 10 O ASP A 2 9.132 -1.918 -2.464 1.00 0.00 O ATOM 11 CB ASP A 2 12.067 -2.146 -3.970 1.00 0.00 C ATOM 12 CG ASP A 2 11.931 -1.381 -5.288 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.291 -0.343 -5.284 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.468 -1.847 -6.279 1.00 0.00 O ATOM 15 H ASP A 2 13.275 -1.697 -1.877 1.00 0.00 H ATOM 16 HA ASP A 2 11.082 -0.392 -3.192 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.111 -2.292 -3.744 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.579 -3.104 -4.060 1.00 0.00 H ATOM 19 N TRP A 3 10.673 -3.021 -1.328 1.00 0.00 N ATOM 20 CA TRP A 3 9.691 -3.838 -0.590 1.00 0.00 C ATOM 21 C TRP A 3 8.915 -2.938 0.393 1.00 0.00 C ATOM 22 O TRP A 3 7.853 -3.285 0.859 1.00 0.00 O ATOM 23 CB TRP A 3 10.546 -4.867 0.173 1.00 0.00 C ATOM 24 CG TRP A 3 11.019 -4.232 1.435 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.612 -3.028 1.490 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.935 -4.715 2.804 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.837 -2.699 2.797 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.470 -3.719 3.654 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.447 -5.896 3.389 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.518 -3.885 5.037 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.499 -6.071 4.781 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.034 -5.068 5.603 1.00 0.00 C ATOM 33 H TRP A 3 11.625 -3.133 -1.141 1.00 0.00 H ATOM 34 HA TRP A 3 9.036 -4.333 -1.267 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.950 -5.738 0.405 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.395 -5.155 -0.429 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.826 -2.395 0.646 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.220 -1.859 3.093 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.034 -6.672 2.763 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.931 -3.109 5.665 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.126 -6.984 5.222 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.072 -5.209 6.672 1.00 0.00 H ATOM 43 N PHE A 4 9.464 -1.787 0.709 1.00 0.00 N ATOM 44 CA PHE A 4 8.811 -0.855 1.663 1.00 0.00 C ATOM 45 C PHE A 4 7.706 -0.126 0.937 1.00 0.00 C ATOM 46 O PHE A 4 6.549 -0.220 1.281 1.00 0.00 O ATOM 47 CB PHE A 4 9.923 0.110 2.076 1.00 0.00 C ATOM 48 CG PHE A 4 9.631 0.712 3.430 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.518 -0.110 4.559 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.489 2.099 3.559 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.262 0.456 5.814 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.232 2.665 4.814 1.00 0.00 C ATOM 53 CZ PHE A 4 9.118 1.843 5.941 1.00 0.00 C ATOM 54 H PHE A 4 10.316 -1.533 0.313 1.00 0.00 H ATOM 55 HA PHE A 4 8.437 -1.385 2.515 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.858 -0.427 2.121 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.997 0.898 1.343 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.629 -1.179 4.461 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.578 2.733 2.689 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.174 -0.178 6.685 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.121 3.735 4.912 1.00 0.00 H ATOM 62 HZ PHE A 4 8.922 2.280 6.910 1.00 0.00 H ATOM 63 N LYS A 5 8.053 0.562 -0.105 1.00 0.00 N ATOM 64 CA LYS A 5 7.015 1.248 -0.897 1.00 0.00 C ATOM 65 C LYS A 5 6.209 0.174 -1.625 1.00 0.00 C ATOM 66 O LYS A 5 5.175 0.436 -2.208 1.00 0.00 O ATOM 67 CB LYS A 5 7.772 2.126 -1.885 1.00 0.00 C ATOM 68 CG LYS A 5 7.452 3.598 -1.613 1.00 0.00 C ATOM 69 CD LYS A 5 8.720 4.319 -1.154 1.00 0.00 C ATOM 70 CE LYS A 5 9.492 4.820 -2.376 1.00 0.00 C ATOM 71 NZ LYS A 5 9.975 6.175 -1.994 1.00 0.00 N ATOM 72 H LYS A 5 8.988 0.589 -0.386 1.00 0.00 H ATOM 73 HA LYS A 5 6.388 1.845 -0.267 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.833 1.960 -1.772 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.469 1.875 -2.889 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.083 4.058 -2.516 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.702 3.666 -0.839 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.450 5.158 -0.528 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.342 3.636 -0.594 1.00 0.00 H ATOM 80 HE2 LYS A 5 10.325 4.166 -2.588 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.837 4.889 -3.232 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.695 6.491 -2.671 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.386 6.138 -1.039 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.178 6.842 -2.004 1.00 0.00 H ATOM 85 N ALA A 6 6.691 -1.049 -1.585 1.00 0.00 N ATOM 86 CA ALA A 6 5.978 -2.160 -2.267 1.00 0.00 C ATOM 87 C ALA A 6 4.804 -2.657 -1.417 1.00 0.00 C ATOM 88 O ALA A 6 3.762 -3.008 -1.935 1.00 0.00 O ATOM 89 CB ALA A 6 7.031 -3.244 -2.421 1.00 0.00 C ATOM 90 H ALA A 6 7.532 -1.237 -1.102 1.00 0.00 H ATOM 91 HA ALA A 6 5.641 -1.847 -3.234 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.558 -4.211 -2.444 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.708 -3.190 -1.588 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.581 -3.083 -3.339 1.00 0.00 H ATOM 95 N PHE A 7 4.955 -2.693 -0.116 1.00 0.00 N ATOM 96 CA PHE A 7 3.834 -3.168 0.733 1.00 0.00 C ATOM 97 C PHE A 7 2.972 -1.984 1.172 1.00 0.00 C ATOM 98 O PHE A 7 1.767 -2.088 1.270 1.00 0.00 O ATOM 99 CB PHE A 7 4.479 -3.916 1.921 1.00 0.00 C ATOM 100 CG PHE A 7 5.074 -2.967 2.947 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.258 -2.072 3.652 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.451 -3.001 3.208 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.817 -1.212 4.605 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.007 -2.143 4.161 1.00 0.00 C ATOM 105 CZ PHE A 7 6.192 -1.247 4.858 1.00 0.00 C ATOM 106 H PHE A 7 5.790 -2.410 0.293 1.00 0.00 H ATOM 107 HA PHE A 7 3.236 -3.852 0.163 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.730 -4.523 2.402 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.262 -4.558 1.544 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.200 -2.045 3.464 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.085 -3.691 2.675 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.187 -0.520 5.144 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.067 -2.173 4.359 1.00 0.00 H ATOM 114 HZ PHE A 7 6.623 -0.584 5.594 1.00 0.00 H ATOM 115 N TYR A 8 3.571 -0.854 1.412 1.00 0.00 N ATOM 116 CA TYR A 8 2.777 0.334 1.817 1.00 0.00 C ATOM 117 C TYR A 8 1.953 0.814 0.621 1.00 0.00 C ATOM 118 O TYR A 8 0.881 1.365 0.770 1.00 0.00 O ATOM 119 CB TYR A 8 3.806 1.382 2.231 1.00 0.00 C ATOM 120 CG TYR A 8 3.129 2.469 3.033 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.294 3.392 2.393 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.336 2.555 4.417 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.667 4.403 3.133 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.709 3.567 5.156 1.00 0.00 C ATOM 125 CZ TYR A 8 1.874 4.490 4.513 1.00 0.00 C ATOM 126 OH TYR A 8 1.256 5.486 5.241 1.00 0.00 O ATOM 127 H TYR A 8 4.534 -0.783 1.312 1.00 0.00 H ATOM 128 HA TYR A 8 2.139 0.092 2.645 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.570 0.913 2.834 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.255 1.812 1.350 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.133 3.326 1.327 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.981 1.844 4.912 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.023 5.114 2.638 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.869 3.635 6.223 1.00 0.00 H ATOM 135 HH TYR A 8 1.371 6.314 4.768 1.00 0.00 H ATOM 136 N ASP A 9 2.446 0.585 -0.570 1.00 0.00 N ATOM 137 CA ASP A 9 1.694 1.001 -1.782 1.00 0.00 C ATOM 138 C ASP A 9 0.603 -0.028 -2.070 1.00 0.00 C ATOM 139 O ASP A 9 -0.560 0.297 -2.172 1.00 0.00 O ATOM 140 CB ASP A 9 2.727 1.026 -2.909 1.00 0.00 C ATOM 141 CG ASP A 9 2.065 1.531 -4.192 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.377 2.537 -4.126 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.259 0.904 -5.221 1.00 0.00 O ATOM 144 H ASP A 9 3.302 0.125 -0.666 1.00 0.00 H ATOM 145 HA ASP A 9 1.273 1.978 -1.642 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.540 1.685 -2.638 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.106 0.030 -3.069 1.00 0.00 H ATOM 148 N LYS A 10 0.975 -1.274 -2.179 1.00 0.00 N ATOM 149 CA LYS A 10 -0.037 -2.336 -2.437 1.00 0.00 C ATOM 150 C LYS A 10 -1.169 -2.212 -1.412 1.00 0.00 C ATOM 151 O LYS A 10 -2.334 -2.114 -1.754 1.00 0.00 O ATOM 152 CB LYS A 10 0.731 -3.648 -2.246 1.00 0.00 C ATOM 153 CG LYS A 10 -0.243 -4.828 -2.207 1.00 0.00 C ATOM 154 CD LYS A 10 0.328 -5.926 -1.306 1.00 0.00 C ATOM 155 CE LYS A 10 1.543 -6.563 -1.983 1.00 0.00 C ATOM 156 NZ LYS A 10 2.627 -6.503 -0.964 1.00 0.00 N ATOM 157 H LYS A 10 1.920 -1.512 -2.078 1.00 0.00 H ATOM 158 HA LYS A 10 -0.418 -2.267 -3.442 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.422 -3.780 -3.067 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.281 -3.610 -1.317 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.195 -4.500 -1.817 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.376 -5.218 -3.204 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.625 -5.495 -0.360 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.425 -6.682 -1.137 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.329 -7.589 -2.249 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.827 -5.997 -2.858 1.00 0.00 H ATOM 167 HZ1 LYS A 10 3.198 -5.648 -1.113 1.00 0.00 H ATOM 168 HZ2 LYS A 10 3.233 -7.346 -1.054 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.209 -6.477 -0.012 1.00 0.00 H ATOM 170 N VAL A 11 -0.829 -2.201 -0.154 1.00 0.00 N ATOM 171 CA VAL A 11 -1.869 -2.070 0.899 1.00 0.00 C ATOM 172 C VAL A 11 -2.704 -0.814 0.648 1.00 0.00 C ATOM 173 O VAL A 11 -3.908 -0.800 0.831 1.00 0.00 O ATOM 174 CB VAL A 11 -1.086 -1.955 2.193 1.00 0.00 C ATOM 175 CG1 VAL A 11 -2.044 -1.801 3.374 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.234 -3.211 2.386 1.00 0.00 C ATOM 177 H VAL A 11 0.116 -2.270 0.099 1.00 0.00 H ATOM 178 HA VAL A 11 -2.485 -2.934 0.930 1.00 0.00 H ATOM 179 HB VAL A 11 -0.456 -1.100 2.130 1.00 0.00 H ATOM 180 HG11 VAL A 11 -2.734 -2.629 3.390 1.00 0.00 H ATOM 181 HG12 VAL A 11 -2.592 -0.876 3.275 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.478 -1.784 4.293 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.796 -3.948 2.938 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.662 -2.957 2.934 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.038 -3.612 1.421 1.00 0.00 H ATOM 186 N ALA A 12 -2.070 0.241 0.218 1.00 0.00 N ATOM 187 CA ALA A 12 -2.816 1.494 -0.055 1.00 0.00 C ATOM 188 C ALA A 12 -3.750 1.302 -1.243 1.00 0.00 C ATOM 189 O ALA A 12 -4.745 1.984 -1.374 1.00 0.00 O ATOM 190 CB ALA A 12 -1.750 2.534 -0.367 1.00 0.00 C ATOM 191 H ALA A 12 -1.104 0.206 0.072 1.00 0.00 H ATOM 192 HA ALA A 12 -3.371 1.790 0.806 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.179 3.313 -0.980 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.935 2.064 -0.893 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.388 2.960 0.557 1.00 0.00 H ATOM 196 N GLU A 13 -3.453 0.372 -2.103 1.00 0.00 N ATOM 197 CA GLU A 13 -4.350 0.142 -3.260 1.00 0.00 C ATOM 198 C GLU A 13 -5.651 -0.468 -2.753 1.00 0.00 C ATOM 199 O GLU A 13 -6.728 -0.186 -3.250 1.00 0.00 O ATOM 200 CB GLU A 13 -3.604 -0.834 -4.170 1.00 0.00 C ATOM 201 CG GLU A 13 -4.251 -0.834 -5.558 1.00 0.00 C ATOM 202 CD GLU A 13 -4.376 -2.271 -6.068 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.361 -2.836 -6.442 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.484 -2.781 -6.079 1.00 0.00 O ATOM 205 H GLU A 13 -2.656 -0.176 -1.980 1.00 0.00 H ATOM 206 HA GLU A 13 -4.537 1.062 -3.775 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.571 -0.527 -4.254 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.653 -1.827 -3.751 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.234 -0.388 -5.495 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.640 -0.263 -6.241 1.00 0.00 H ATOM 211 N LYS A 14 -5.564 -1.277 -1.735 1.00 0.00 N ATOM 212 CA LYS A 14 -6.784 -1.879 -1.174 1.00 0.00 C ATOM 213 C LYS A 14 -7.419 -0.880 -0.224 1.00 0.00 C ATOM 214 O LYS A 14 -8.587 -0.936 0.064 1.00 0.00 O ATOM 215 CB LYS A 14 -6.317 -3.134 -0.440 1.00 0.00 C ATOM 216 CG LYS A 14 -6.057 -4.247 -1.460 1.00 0.00 C ATOM 217 CD LYS A 14 -7.342 -5.048 -1.688 1.00 0.00 C ATOM 218 CE LYS A 14 -6.991 -6.522 -1.910 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.860 -7.272 -0.962 1.00 0.00 N ATOM 220 H LYS A 14 -4.700 -1.466 -1.328 1.00 0.00 H ATOM 221 HA LYS A 14 -7.465 -2.138 -1.958 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.407 -2.918 0.098 1.00 0.00 H ATOM 223 HB3 LYS A 14 -7.081 -3.453 0.252 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.735 -3.811 -2.394 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.287 -4.906 -1.086 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.984 -4.955 -0.824 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.854 -4.668 -2.560 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.205 -6.810 -2.929 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.953 -6.700 -1.677 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.656 -6.971 0.011 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.675 -8.292 -1.056 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -8.859 -7.080 -1.180 1.00 0.00 H ATOM 233 N PHE A 15 -6.657 0.060 0.253 1.00 0.00 N ATOM 234 CA PHE A 15 -7.244 1.068 1.164 1.00 0.00 C ATOM 235 C PHE A 15 -8.059 2.059 0.344 1.00 0.00 C ATOM 236 O PHE A 15 -9.056 2.592 0.794 1.00 0.00 O ATOM 237 CB PHE A 15 -6.049 1.740 1.841 1.00 0.00 C ATOM 238 CG PHE A 15 -6.484 2.462 3.099 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.500 1.935 3.909 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.855 3.660 3.461 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.886 2.610 5.076 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.241 4.332 4.626 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.256 3.808 5.434 1.00 0.00 C ATOM 244 H PHE A 15 -5.711 0.109 0.001 1.00 0.00 H ATOM 245 HA PHE A 15 -7.863 0.585 1.884 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.319 0.989 2.097 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.607 2.449 1.158 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.989 1.012 3.637 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.071 4.066 2.838 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.669 2.205 5.700 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.755 5.258 4.903 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.554 4.327 6.334 1.00 0.00 H ATOM 253 N LYS A 16 -7.657 2.283 -0.874 1.00 0.00 N ATOM 254 CA LYS A 16 -8.412 3.211 -1.747 1.00 0.00 C ATOM 255 C LYS A 16 -9.631 2.484 -2.299 1.00 0.00 C ATOM 256 O LYS A 16 -10.655 3.076 -2.571 1.00 0.00 O ATOM 257 CB LYS A 16 -7.448 3.586 -2.873 1.00 0.00 C ATOM 258 CG LYS A 16 -6.226 4.296 -2.286 1.00 0.00 C ATOM 259 CD LYS A 16 -6.577 5.757 -1.996 1.00 0.00 C ATOM 260 CE LYS A 16 -6.107 6.638 -3.156 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.343 6.942 -3.930 1.00 0.00 N ATOM 262 H LYS A 16 -6.871 1.820 -1.220 1.00 0.00 H ATOM 263 HA LYS A 16 -8.705 4.085 -1.198 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.132 2.689 -3.388 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.947 4.244 -3.568 1.00 0.00 H ATOM 266 HG2 LYS A 16 -5.932 3.807 -1.369 1.00 0.00 H ATOM 267 HG3 LYS A 16 -5.412 4.257 -2.993 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.647 5.854 -1.879 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.086 6.072 -1.088 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.662 7.549 -2.779 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.405 6.103 -3.776 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.110 7.574 -4.722 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.036 7.405 -3.308 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.746 6.058 -4.301 1.00 0.00 H ATOM 275 N GLU A 17 -9.528 1.192 -2.443 1.00 0.00 N ATOM 276 CA GLU A 17 -10.681 0.411 -2.953 1.00 0.00 C ATOM 277 C GLU A 17 -11.501 -0.092 -1.769 1.00 0.00 C ATOM 278 O GLU A 17 -12.654 0.249 -1.603 1.00 0.00 O ATOM 279 CB GLU A 17 -10.071 -0.755 -3.725 1.00 0.00 C ATOM 280 CG GLU A 17 -9.761 -0.313 -5.155 1.00 0.00 C ATOM 281 CD GLU A 17 -9.944 -1.499 -6.103 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.216 -2.466 -5.957 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.810 -1.418 -6.959 1.00 0.00 O ATOM 284 H GLU A 17 -8.696 0.734 -2.197 1.00 0.00 H ATOM 285 HA GLU A 17 -11.279 1.013 -3.603 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.162 -1.072 -3.238 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.774 -1.573 -3.750 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.432 0.485 -5.439 1.00 0.00 H ATOM 289 HG3 GLU A 17 -8.741 0.037 -5.211 1.00 0.00 H ATOM 290 N ALA A 18 -10.899 -0.891 -0.935 1.00 0.00 N ATOM 291 CA ALA A 18 -11.617 -1.414 0.258 1.00 0.00 C ATOM 292 C ALA A 18 -12.259 -0.252 1.025 1.00 0.00 C ATOM 293 O ALA A 18 -13.235 -0.426 1.726 1.00 0.00 O ATOM 294 CB ALA A 18 -10.533 -2.090 1.099 1.00 0.00 C ATOM 295 H ALA A 18 -9.966 -1.138 -1.089 1.00 0.00 H ATOM 296 HA ALA A 18 -12.364 -2.134 -0.036 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.864 -2.640 0.449 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.987 -2.768 1.803 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.969 -1.338 1.633 1.00 0.00 H ATOM 300 N PHE A 19 -11.722 0.936 0.893 1.00 0.00 N ATOM 301 CA PHE A 19 -12.309 2.098 1.608 1.00 0.00 C ATOM 302 C PHE A 19 -12.408 3.308 0.674 1.00 0.00 C ATOM 303 O PHE A 19 -12.252 3.187 -0.525 1.00 0.00 O ATOM 304 CB PHE A 19 -11.350 2.386 2.759 1.00 0.00 C ATOM 305 CG PHE A 19 -11.711 1.528 3.948 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.229 0.217 4.040 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.525 2.046 4.964 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.561 -0.577 5.145 1.00 0.00 C ATOM 309 CE2 PHE A 19 -12.858 1.251 6.069 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.376 -0.061 6.158 1.00 0.00 C ATOM 311 H PHE A 19 -10.940 1.064 0.323 1.00 0.00 H ATOM 312 HA PHE A 19 -13.272 1.842 1.992 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.341 2.165 2.449 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.425 3.428 3.032 1.00 0.00 H ATOM 315 HD1 PHE A 19 -10.600 -0.182 3.258 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.899 3.056 4.894 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.189 -1.589 5.214 1.00 0.00 H ATOM 318 HE2 PHE A 19 -13.487 1.649 6.852 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.632 -0.673 7.011 1.00 0.00 H HETATM 320 N NH2 A 20 -12.665 4.485 1.180 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.734 5.266 0.593 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.790 4.587 2.147 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 9 HETATM 1 C ACE A 1 12.433 -0.797 -0.782 1.00 0.00 C HETATM 2 O ACE A 1 11.434 -0.184 -0.456 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.609 -0.957 0.169 1.00 0.00 C HETATM 4 H1 ACE A 1 13.410 -0.414 1.078 1.00 0.00 H HETATM 5 H2 ACE A 1 14.502 -0.577 -0.298 1.00 0.00 H HETATM 6 H3 ACE A 1 13.738 -2.007 0.396 1.00 0.00 H ATOM 7 N ASP A 2 12.520 -1.381 -1.940 1.00 0.00 N ATOM 8 CA ASP A 2 11.389 -1.301 -2.873 1.00 0.00 C ATOM 9 C ASP A 2 10.280 -2.112 -2.246 1.00 0.00 C ATOM 10 O ASP A 2 9.121 -1.815 -2.387 1.00 0.00 O ATOM 11 CB ASP A 2 11.880 -1.939 -4.174 1.00 0.00 C ATOM 12 CG ASP A 2 13.205 -1.299 -4.590 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.212 -0.102 -4.831 1.00 0.00 O ATOM 14 OD2 ASP A 2 14.189 -2.014 -4.662 1.00 0.00 O ATOM 15 H ASP A 2 13.301 -1.904 -2.170 1.00 0.00 H ATOM 16 HA ASP A 2 11.090 -0.280 -3.031 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.023 -2.999 -4.023 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.146 -1.782 -4.950 1.00 0.00 H ATOM 19 N TRP A 3 10.667 -3.130 -1.519 1.00 0.00 N ATOM 20 CA TRP A 3 9.685 -3.994 -0.822 1.00 0.00 C ATOM 21 C TRP A 3 8.950 -3.177 0.254 1.00 0.00 C ATOM 22 O TRP A 3 7.872 -3.526 0.690 1.00 0.00 O ATOM 23 CB TRP A 3 10.528 -5.108 -0.176 1.00 0.00 C ATOM 24 CG TRP A 3 11.107 -4.582 1.094 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.766 -3.415 1.191 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.074 -5.151 2.433 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.101 -3.196 2.498 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.720 -4.247 3.311 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.552 -6.340 2.971 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.843 -4.514 4.675 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.677 -6.614 4.343 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.321 -5.703 5.193 1.00 0.00 C ATOM 33 H TRP A 3 11.619 -3.312 -1.419 1.00 0.00 H ATOM 34 HA TRP A 3 9.001 -4.410 -1.523 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.902 -5.963 0.034 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.325 -5.397 -0.845 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.966 -2.740 0.379 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.560 -2.403 2.822 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.054 -7.047 2.324 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.340 -3.808 5.325 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.275 -7.533 4.745 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.415 -5.920 6.247 1.00 0.00 H ATOM 43 N PHE A 4 9.541 -2.088 0.680 1.00 0.00 N ATOM 44 CA PHE A 4 8.903 -1.242 1.718 1.00 0.00 C ATOM 45 C PHE A 4 7.899 -0.347 1.028 1.00 0.00 C ATOM 46 O PHE A 4 6.709 -0.424 1.262 1.00 0.00 O ATOM 47 CB PHE A 4 10.037 -0.420 2.330 1.00 0.00 C ATOM 48 CG PHE A 4 9.468 0.561 3.327 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.614 0.112 4.341 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.795 1.920 3.236 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.086 1.022 5.265 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.266 2.829 4.160 1.00 0.00 C ATOM 53 CZ PHE A 4 8.411 2.380 5.175 1.00 0.00 C ATOM 54 H PHE A 4 10.401 -1.823 0.308 1.00 0.00 H ATOM 55 HA PHE A 4 8.432 -1.851 2.465 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.731 -1.081 2.830 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.553 0.119 1.551 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.362 -0.936 4.411 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.453 2.266 2.455 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.426 0.675 6.047 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.517 3.877 4.091 1.00 0.00 H ATOM 62 HZ PHE A 4 8.004 3.081 5.887 1.00 0.00 H ATOM 63 N LYS A 5 8.365 0.458 0.122 1.00 0.00 N ATOM 64 CA LYS A 5 7.424 1.301 -0.639 1.00 0.00 C ATOM 65 C LYS A 5 6.503 0.355 -1.406 1.00 0.00 C ATOM 66 O LYS A 5 5.444 0.730 -1.871 1.00 0.00 O ATOM 67 CB LYS A 5 8.290 2.122 -1.597 1.00 0.00 C ATOM 68 CG LYS A 5 7.420 2.671 -2.729 1.00 0.00 C ATOM 69 CD LYS A 5 8.031 3.970 -3.257 1.00 0.00 C ATOM 70 CE LYS A 5 7.937 3.995 -4.785 1.00 0.00 C ATOM 71 NZ LYS A 5 8.356 5.370 -5.173 1.00 0.00 N ATOM 72 H LYS A 5 9.323 0.468 -0.088 1.00 0.00 H ATOM 73 HA LYS A 5 6.865 1.943 0.019 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.743 2.942 -1.059 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.063 1.493 -2.013 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.369 1.945 -3.528 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.427 2.869 -2.357 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.491 4.814 -2.849 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.067 4.029 -2.961 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.605 3.260 -5.213 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.922 3.814 -5.103 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.201 5.642 -4.632 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.584 6.038 -4.971 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.576 5.393 -6.189 1.00 0.00 H ATOM 85 N ALA A 6 6.907 -0.892 -1.520 1.00 0.00 N ATOM 86 CA ALA A 6 6.068 -1.888 -2.235 1.00 0.00 C ATOM 87 C ALA A 6 4.928 -2.346 -1.328 1.00 0.00 C ATOM 88 O ALA A 6 3.878 -2.752 -1.785 1.00 0.00 O ATOM 89 CB ALA A 6 7.008 -3.044 -2.543 1.00 0.00 C ATOM 90 H ALA A 6 7.764 -1.175 -1.121 1.00 0.00 H ATOM 91 HA ALA A 6 5.690 -1.474 -3.146 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.586 -2.809 -3.428 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.439 -3.942 -2.712 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.677 -3.186 -1.709 1.00 0.00 H ATOM 95 N PHE A 7 5.128 -2.276 -0.040 1.00 0.00 N ATOM 96 CA PHE A 7 4.064 -2.696 0.903 1.00 0.00 C ATOM 97 C PHE A 7 3.065 -1.560 1.081 1.00 0.00 C ATOM 98 O PHE A 7 1.881 -1.726 0.885 1.00 0.00 O ATOM 99 CB PHE A 7 4.785 -2.985 2.220 1.00 0.00 C ATOM 100 CG PHE A 7 5.717 -4.166 2.061 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.665 -4.963 0.909 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.634 -4.467 3.076 1.00 0.00 C ATOM 103 CE1 PHE A 7 6.526 -6.057 0.774 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.496 -5.560 2.939 1.00 0.00 C ATOM 105 CZ PHE A 7 7.441 -6.356 1.789 1.00 0.00 C ATOM 106 H PHE A 7 5.975 -1.941 0.306 1.00 0.00 H ATOM 107 HA PHE A 7 3.575 -3.579 0.547 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.355 -2.116 2.512 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.055 -3.206 2.983 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.962 -4.733 0.124 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.678 -3.854 3.963 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.483 -6.670 -0.114 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.201 -5.790 3.724 1.00 0.00 H ATOM 114 HZ PHE A 7 8.107 -7.201 1.685 1.00 0.00 H ATOM 115 N TYR A 8 3.541 -0.404 1.446 1.00 0.00 N ATOM 116 CA TYR A 8 2.626 0.753 1.635 1.00 0.00 C ATOM 117 C TYR A 8 1.892 1.055 0.327 1.00 0.00 C ATOM 118 O TYR A 8 0.814 1.615 0.322 1.00 0.00 O ATOM 119 CB TYR A 8 3.533 1.919 2.024 1.00 0.00 C ATOM 120 CG TYR A 8 2.701 3.163 2.221 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.713 3.194 3.213 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.916 4.285 1.412 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.942 4.348 3.396 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.145 5.438 1.595 1.00 0.00 C ATOM 125 CZ TYR A 8 1.157 5.470 2.587 1.00 0.00 C ATOM 126 OH TYR A 8 0.396 6.607 2.767 1.00 0.00 O ATOM 127 H TYR A 8 4.504 -0.295 1.594 1.00 0.00 H ATOM 128 HA TYR A 8 1.924 0.553 2.426 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.050 1.682 2.943 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.255 2.091 1.240 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.547 2.329 3.837 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.679 4.261 0.648 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.179 4.372 4.161 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.311 6.305 0.972 1.00 0.00 H ATOM 135 HH TYR A 8 0.696 7.041 3.569 1.00 0.00 H ATOM 136 N ASP A 9 2.470 0.684 -0.784 1.00 0.00 N ATOM 137 CA ASP A 9 1.809 0.948 -2.090 1.00 0.00 C ATOM 138 C ASP A 9 0.654 -0.033 -2.307 1.00 0.00 C ATOM 139 O ASP A 9 -0.470 0.359 -2.546 1.00 0.00 O ATOM 140 CB ASP A 9 2.901 0.732 -3.136 1.00 0.00 C ATOM 141 CG ASP A 9 2.299 0.849 -4.537 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.131 1.967 -4.996 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.013 -0.181 -5.126 1.00 0.00 O ATOM 144 H ASP A 9 3.338 0.234 -0.759 1.00 0.00 H ATOM 145 HA ASP A 9 1.458 1.962 -2.130 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.673 1.478 -3.012 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.330 -0.252 -3.012 1.00 0.00 H ATOM 148 N LYS A 10 0.926 -1.307 -2.229 1.00 0.00 N ATOM 149 CA LYS A 10 -0.151 -2.315 -2.435 1.00 0.00 C ATOM 150 C LYS A 10 -1.230 -2.181 -1.356 1.00 0.00 C ATOM 151 O LYS A 10 -2.409 -2.141 -1.647 1.00 0.00 O ATOM 152 CB LYS A 10 0.549 -3.670 -2.325 1.00 0.00 C ATOM 153 CG LYS A 10 1.696 -3.736 -3.334 1.00 0.00 C ATOM 154 CD LYS A 10 1.350 -4.738 -4.436 1.00 0.00 C ATOM 155 CE LYS A 10 1.569 -4.090 -5.804 1.00 0.00 C ATOM 156 NZ LYS A 10 2.634 -4.906 -6.451 1.00 0.00 N ATOM 157 H LYS A 10 1.839 -1.601 -2.040 1.00 0.00 H ATOM 158 HA LYS A 10 -0.582 -2.206 -3.415 1.00 0.00 H ATOM 159 HB2 LYS A 10 0.939 -3.792 -1.325 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.158 -4.457 -2.534 1.00 0.00 H ATOM 161 HG2 LYS A 10 1.850 -2.760 -3.769 1.00 0.00 H ATOM 162 HG3 LYS A 10 2.598 -4.054 -2.833 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.983 -5.609 -4.344 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.316 -5.034 -4.342 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.659 -4.125 -6.387 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.905 -3.070 -5.689 1.00 0.00 H ATOM 167 HZ1 LYS A 10 2.541 -5.897 -6.152 1.00 0.00 H ATOM 168 HZ2 LYS A 10 3.567 -4.544 -6.167 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.538 -4.848 -7.484 1.00 0.00 H ATOM 170 N VAL A 11 -0.839 -2.123 -0.112 1.00 0.00 N ATOM 171 CA VAL A 11 -1.848 -2.003 0.979 1.00 0.00 C ATOM 172 C VAL A 11 -2.717 -0.757 0.775 1.00 0.00 C ATOM 173 O VAL A 11 -3.929 -0.813 0.872 1.00 0.00 O ATOM 174 CB VAL A 11 -1.032 -1.898 2.271 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.213 -3.177 2.464 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.083 -0.699 2.187 1.00 0.00 C ATOM 177 H VAL A 11 0.115 -2.164 0.106 1.00 0.00 H ATOM 178 HA VAL A 11 -2.465 -2.886 1.010 1.00 0.00 H ATOM 179 HB VAL A 11 -1.702 -1.771 3.109 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.242 -3.470 3.502 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.811 -2.997 2.170 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.629 -3.967 1.855 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.791 -0.891 2.792 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.587 0.184 2.552 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.215 -0.546 1.163 1.00 0.00 H ATOM 186 N ALA A 12 -2.116 0.365 0.488 1.00 0.00 N ATOM 187 CA ALA A 12 -2.917 1.601 0.276 1.00 0.00 C ATOM 188 C ALA A 12 -3.803 1.447 -0.952 1.00 0.00 C ATOM 189 O ALA A 12 -4.816 2.100 -1.080 1.00 0.00 O ATOM 190 CB ALA A 12 -1.895 2.708 0.069 1.00 0.00 C ATOM 191 H ALA A 12 -1.145 0.396 0.410 1.00 0.00 H ATOM 192 HA ALA A 12 -3.514 1.812 1.137 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.229 2.436 -0.733 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.331 2.846 0.980 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.409 3.624 -0.181 1.00 0.00 H ATOM 196 N GLU A 13 -3.439 0.580 -1.849 1.00 0.00 N ATOM 197 CA GLU A 13 -4.280 0.383 -3.052 1.00 0.00 C ATOM 198 C GLU A 13 -5.535 -0.386 -2.659 1.00 0.00 C ATOM 199 O GLU A 13 -6.602 -0.200 -3.217 1.00 0.00 O ATOM 200 CB GLU A 13 -3.422 -0.425 -4.023 1.00 0.00 C ATOM 201 CG GLU A 13 -2.242 0.427 -4.492 1.00 0.00 C ATOM 202 CD GLU A 13 -2.577 1.064 -5.842 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.231 2.094 -5.842 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.174 0.511 -6.852 1.00 0.00 O ATOM 205 H GLU A 13 -2.625 0.055 -1.727 1.00 0.00 H ATOM 206 HA GLU A 13 -4.540 1.328 -3.479 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.055 -1.311 -3.526 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.019 -0.711 -4.876 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.046 1.202 -3.766 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.367 -0.197 -4.598 1.00 0.00 H ATOM 211 N LYS A 14 -5.427 -1.225 -1.669 1.00 0.00 N ATOM 212 CA LYS A 14 -6.608 -1.972 -1.218 1.00 0.00 C ATOM 213 C LYS A 14 -7.420 -1.050 -0.337 1.00 0.00 C ATOM 214 O LYS A 14 -8.617 -1.153 -0.262 1.00 0.00 O ATOM 215 CB LYS A 14 -6.065 -3.161 -0.424 1.00 0.00 C ATOM 216 CG LYS A 14 -7.223 -3.879 0.273 1.00 0.00 C ATOM 217 CD LYS A 14 -6.796 -5.302 0.640 1.00 0.00 C ATOM 218 CE LYS A 14 -6.693 -5.428 2.162 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.463 -6.236 2.398 1.00 0.00 N ATOM 220 H LYS A 14 -4.583 -1.337 -1.205 1.00 0.00 H ATOM 221 HA LYS A 14 -7.184 -2.306 -2.058 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.568 -3.845 -1.095 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.364 -2.809 0.318 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.493 -3.341 1.169 1.00 0.00 H ATOM 225 HG3 LYS A 14 -8.073 -3.921 -0.391 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.527 -6.005 0.268 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.833 -5.515 0.197 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.597 -4.450 2.614 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.554 -5.944 2.556 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.658 -7.234 2.187 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.173 -6.141 3.393 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.700 -5.895 1.780 1.00 0.00 H ATOM 233 N PHE A 15 -6.766 -0.123 0.308 1.00 0.00 N ATOM 234 CA PHE A 15 -7.502 0.834 1.167 1.00 0.00 C ATOM 235 C PHE A 15 -8.285 1.788 0.280 1.00 0.00 C ATOM 236 O PHE A 15 -9.354 2.251 0.628 1.00 0.00 O ATOM 237 CB PHE A 15 -6.432 1.576 1.962 1.00 0.00 C ATOM 238 CG PHE A 15 -6.108 0.802 3.218 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.944 -0.588 3.160 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.971 1.473 4.438 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.644 -1.305 4.324 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.672 0.755 5.603 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.508 -0.635 5.545 1.00 0.00 C ATOM 244 H PHE A 15 -5.795 -0.045 0.204 1.00 0.00 H ATOM 245 HA PHE A 15 -8.159 0.309 1.827 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.542 1.675 1.360 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.800 2.555 2.230 1.00 0.00 H ATOM 248 HD1 PHE A 15 -6.050 -1.105 2.218 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.098 2.545 4.483 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.518 -2.377 4.280 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.566 1.272 6.545 1.00 0.00 H ATOM 252 HZ PHE A 15 -5.277 -1.189 6.443 1.00 0.00 H ATOM 253 N LYS A 16 -7.767 2.062 -0.881 1.00 0.00 N ATOM 254 CA LYS A 16 -8.486 2.959 -1.815 1.00 0.00 C ATOM 255 C LYS A 16 -9.669 2.197 -2.405 1.00 0.00 C ATOM 256 O LYS A 16 -10.693 2.763 -2.731 1.00 0.00 O ATOM 257 CB LYS A 16 -7.470 3.316 -2.899 1.00 0.00 C ATOM 258 CG LYS A 16 -6.315 4.104 -2.276 1.00 0.00 C ATOM 259 CD LYS A 16 -6.290 5.520 -2.857 1.00 0.00 C ATOM 260 CE LYS A 16 -5.197 6.338 -2.166 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.914 7.476 -1.527 1.00 0.00 N ATOM 262 H LYS A 16 -6.917 1.659 -1.145 1.00 0.00 H ATOM 263 HA LYS A 16 -8.817 3.845 -1.306 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.089 2.410 -3.345 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.948 3.919 -3.655 1.00 0.00 H ATOM 266 HG2 LYS A 16 -6.451 4.156 -1.206 1.00 0.00 H ATOM 267 HG3 LYS A 16 -5.381 3.610 -2.498 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.088 5.471 -3.918 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.248 5.994 -2.695 1.00 0.00 H ATOM 270 HE2 LYS A 16 -4.696 5.737 -1.418 1.00 0.00 H ATOM 271 HE3 LYS A 16 -4.488 6.709 -2.890 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.365 7.152 -0.647 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.642 7.836 -2.178 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.238 8.235 -1.309 1.00 0.00 H ATOM 275 N GLU A 17 -9.533 0.903 -2.524 1.00 0.00 N ATOM 276 CA GLU A 17 -10.642 0.082 -3.071 1.00 0.00 C ATOM 277 C GLU A 17 -11.397 -0.599 -1.926 1.00 0.00 C ATOM 278 O GLU A 17 -12.427 -1.214 -2.122 1.00 0.00 O ATOM 279 CB GLU A 17 -9.968 -0.954 -3.967 1.00 0.00 C ATOM 280 CG GLU A 17 -9.315 -0.251 -5.159 1.00 0.00 C ATOM 281 CD GLU A 17 -8.023 -0.978 -5.536 1.00 0.00 C ATOM 282 OE1 GLU A 17 -7.672 -1.919 -4.845 1.00 0.00 O ATOM 283 OE2 GLU A 17 -7.407 -0.580 -6.512 1.00 0.00 O ATOM 284 H GLU A 17 -8.702 0.471 -2.241 1.00 0.00 H ATOM 285 HA GLU A 17 -11.303 0.693 -3.648 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.214 -1.482 -3.402 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.707 -1.654 -4.326 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.994 -0.262 -5.999 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.087 0.770 -4.894 1.00 0.00 H ATOM 290 N ALA A 18 -10.884 -0.495 -0.730 1.00 0.00 N ATOM 291 CA ALA A 18 -11.550 -1.128 0.437 1.00 0.00 C ATOM 292 C ALA A 18 -12.532 -0.144 1.074 1.00 0.00 C ATOM 293 O ALA A 18 -13.459 -0.529 1.757 1.00 0.00 O ATOM 294 CB ALA A 18 -10.409 -1.456 1.404 1.00 0.00 C ATOM 295 H ALA A 18 -10.057 0.000 -0.599 1.00 0.00 H ATOM 296 HA ALA A 18 -12.050 -2.027 0.137 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.851 -2.303 1.027 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.809 -1.691 2.375 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.749 -0.603 1.481 1.00 0.00 H ATOM 300 N PHE A 19 -12.332 1.125 0.851 1.00 0.00 N ATOM 301 CA PHE A 19 -13.244 2.139 1.436 1.00 0.00 C ATOM 302 C PHE A 19 -13.934 2.937 0.326 1.00 0.00 C ATOM 303 O PHE A 19 -15.034 2.618 -0.081 1.00 0.00 O ATOM 304 CB PHE A 19 -12.345 3.046 2.273 1.00 0.00 C ATOM 305 CG PHE A 19 -11.802 2.269 3.447 1.00 0.00 C ATOM 306 CD1 PHE A 19 -10.918 1.204 3.234 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.181 2.613 4.750 1.00 0.00 C ATOM 308 CE1 PHE A 19 -10.415 0.483 4.323 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.678 1.892 5.840 1.00 0.00 C ATOM 310 CZ PHE A 19 -10.795 0.827 5.626 1.00 0.00 C ATOM 311 H PHE A 19 -11.581 1.410 0.300 1.00 0.00 H ATOM 312 HA PHE A 19 -13.968 1.663 2.063 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.527 3.400 1.664 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.919 3.886 2.632 1.00 0.00 H ATOM 315 HD1 PHE A 19 -10.626 0.938 2.229 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.863 3.435 4.915 1.00 0.00 H ATOM 317 HE1 PHE A 19 -9.733 -0.338 4.158 1.00 0.00 H ATOM 318 HE2 PHE A 19 -11.970 2.158 6.845 1.00 0.00 H ATOM 319 HZ PHE A 19 -10.406 0.271 6.466 1.00 0.00 H HETATM 320 N NH2 A 20 -13.329 3.975 -0.184 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.761 4.494 -0.894 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.442 4.235 0.142 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 10 HETATM 1 C ACE A 1 11.769 -2.084 -0.636 1.00 0.00 C HETATM 2 O ACE A 1 11.043 -1.114 -0.539 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.994 -2.247 0.245 1.00 0.00 C HETATM 4 H1 ACE A 1 13.734 -1.517 -0.029 1.00 0.00 H HETATM 5 H2 ACE A 1 13.393 -3.242 0.113 1.00 0.00 H HETATM 6 H3 ACE A 1 12.707 -2.112 1.278 1.00 0.00 H ATOM 7 N ASP A 2 11.502 -3.050 -1.463 1.00 0.00 N ATOM 8 CA ASP A 2 10.295 -2.976 -2.310 1.00 0.00 C ATOM 9 C ASP A 2 9.079 -3.175 -1.409 1.00 0.00 C ATOM 10 O ASP A 2 7.952 -3.132 -1.835 1.00 0.00 O ATOM 11 CB ASP A 2 10.430 -4.120 -3.315 1.00 0.00 C ATOM 12 CG ASP A 2 11.674 -3.895 -4.174 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.765 -4.072 -3.659 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.514 -3.547 -5.332 1.00 0.00 O ATOM 15 H ASP A 2 12.074 -3.836 -1.495 1.00 0.00 H ATOM 16 HA ASP A 2 10.246 -2.031 -2.818 1.00 0.00 H ATOM 17 HB2 ASP A 2 10.520 -5.056 -2.784 1.00 0.00 H ATOM 18 HB3 ASP A 2 9.557 -4.145 -3.950 1.00 0.00 H ATOM 19 N TRP A 3 9.309 -3.406 -0.151 1.00 0.00 N ATOM 20 CA TRP A 3 8.189 -3.615 0.786 1.00 0.00 C ATOM 21 C TRP A 3 7.886 -2.272 1.409 1.00 0.00 C ATOM 22 O TRP A 3 6.770 -1.955 1.770 1.00 0.00 O ATOM 23 CB TRP A 3 8.697 -4.661 1.780 1.00 0.00 C ATOM 24 CG TRP A 3 9.537 -5.603 0.991 1.00 0.00 C ATOM 25 CD1 TRP A 3 9.273 -5.953 -0.285 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.765 -6.267 1.357 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.281 -6.747 -0.748 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.223 -7.001 0.238 1.00 0.00 C ATOM 29 CE3 TRP A 3 11.517 -6.301 2.534 1.00 0.00 C ATOM 30 CZ2 TRP A 3 12.401 -7.741 0.291 1.00 0.00 C ATOM 31 CZ3 TRP A 3 12.701 -7.051 2.598 1.00 0.00 C ATOM 32 CH2 TRP A 3 13.144 -7.770 1.477 1.00 0.00 C ATOM 33 H TRP A 3 10.218 -3.456 0.183 1.00 0.00 H ATOM 34 HA TRP A 3 7.353 -3.992 0.255 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.289 -4.185 2.549 1.00 0.00 H ATOM 36 HB3 TRP A 3 7.866 -5.190 2.221 1.00 0.00 H ATOM 37 HD1 TRP A 3 8.425 -5.618 -0.864 1.00 0.00 H ATOM 38 HE1 TRP A 3 10.329 -7.106 -1.651 1.00 0.00 H ATOM 39 HE3 TRP A 3 11.176 -5.748 3.396 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.739 -8.285 -0.574 1.00 0.00 H ATOM 41 HZ3 TRP A 3 13.275 -7.074 3.512 1.00 0.00 H ATOM 42 HH2 TRP A 3 14.056 -8.347 1.529 1.00 0.00 H ATOM 43 N PHE A 4 8.874 -1.437 1.459 1.00 0.00 N ATOM 44 CA PHE A 4 8.636 -0.085 1.969 1.00 0.00 C ATOM 45 C PHE A 4 7.897 0.680 0.873 1.00 0.00 C ATOM 46 O PHE A 4 6.918 1.356 1.114 1.00 0.00 O ATOM 47 CB PHE A 4 10.016 0.509 2.220 1.00 0.00 C ATOM 48 CG PHE A 4 10.276 0.558 3.704 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.826 -0.481 4.527 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.967 1.641 4.258 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.068 -0.437 5.905 1.00 0.00 C ATOM 52 CE2 PHE A 4 11.210 1.686 5.636 1.00 0.00 C ATOM 53 CZ PHE A 4 10.760 0.646 6.460 1.00 0.00 C ATOM 54 H PHE A 4 9.754 -1.687 1.110 1.00 0.00 H ATOM 55 HA PHE A 4 8.073 -0.120 2.873 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.765 -0.104 1.742 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.054 1.510 1.817 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.293 -1.317 4.099 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.314 2.441 3.621 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.721 -1.239 6.540 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.744 2.522 6.062 1.00 0.00 H ATOM 62 HZ PHE A 4 10.947 0.681 7.523 1.00 0.00 H ATOM 63 N LYS A 5 8.366 0.561 -0.346 1.00 0.00 N ATOM 64 CA LYS A 5 7.717 1.274 -1.473 1.00 0.00 C ATOM 65 C LYS A 5 6.683 0.404 -2.212 1.00 0.00 C ATOM 66 O LYS A 5 5.605 0.877 -2.521 1.00 0.00 O ATOM 67 CB LYS A 5 8.860 1.677 -2.410 1.00 0.00 C ATOM 68 CG LYS A 5 9.443 0.438 -3.096 1.00 0.00 C ATOM 69 CD LYS A 5 10.525 0.869 -4.087 1.00 0.00 C ATOM 70 CE LYS A 5 9.865 1.508 -5.312 1.00 0.00 C ATOM 71 NZ LYS A 5 10.956 2.263 -5.987 1.00 0.00 N ATOM 72 H LYS A 5 9.149 0.007 -0.513 1.00 0.00 H ATOM 73 HA LYS A 5 7.243 2.161 -1.099 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.484 2.358 -3.160 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.636 2.165 -1.839 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.873 -0.217 -2.353 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.662 -0.082 -3.628 1.00 0.00 H ATOM 78 HD2 LYS A 5 11.181 1.587 -3.616 1.00 0.00 H ATOM 79 HD3 LYS A 5 11.095 0.007 -4.397 1.00 0.00 H ATOM 80 HE2 LYS A 5 9.473 0.741 -5.969 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.081 2.183 -5.008 1.00 0.00 H ATOM 82 HZ1 LYS A 5 11.751 1.623 -6.185 1.00 0.00 H ATOM 83 HZ2 LYS A 5 11.277 3.034 -5.366 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.602 2.661 -6.880 1.00 0.00 H ATOM 85 N ALA A 6 6.968 -0.843 -2.528 1.00 0.00 N ATOM 86 CA ALA A 6 5.939 -1.627 -3.268 1.00 0.00 C ATOM 87 C ALA A 6 4.839 -2.109 -2.323 1.00 0.00 C ATOM 88 O ALA A 6 3.742 -2.412 -2.747 1.00 0.00 O ATOM 89 CB ALA A 6 6.664 -2.801 -3.916 1.00 0.00 C ATOM 90 H ALA A 6 7.838 -1.252 -2.299 1.00 0.00 H ATOM 91 HA ALA A 6 5.513 -1.015 -4.037 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.495 -3.694 -3.334 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.723 -2.590 -3.957 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.286 -2.944 -4.918 1.00 0.00 H ATOM 95 N PHE A 7 5.105 -2.171 -1.045 1.00 0.00 N ATOM 96 CA PHE A 7 4.047 -2.616 -0.105 1.00 0.00 C ATOM 97 C PHE A 7 3.336 -1.399 0.489 1.00 0.00 C ATOM 98 O PHE A 7 2.129 -1.392 0.626 1.00 0.00 O ATOM 99 CB PHE A 7 4.761 -3.425 0.968 1.00 0.00 C ATOM 100 CG PHE A 7 4.372 -4.881 0.862 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.079 -5.438 -0.389 1.00 0.00 C ATOM 102 CD2 PHE A 7 4.315 -5.675 2.013 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.726 -6.790 -0.488 1.00 0.00 C ATOM 104 CE2 PHE A 7 3.961 -7.026 1.915 1.00 0.00 C ATOM 105 CZ PHE A 7 3.667 -7.584 0.664 1.00 0.00 C ATOM 106 H PHE A 7 5.985 -1.916 -0.707 1.00 0.00 H ATOM 107 HA PHE A 7 3.347 -3.236 -0.620 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.817 -3.338 0.823 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.493 -3.050 1.942 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.122 -4.827 -1.278 1.00 0.00 H ATOM 111 HD2 PHE A 7 4.541 -5.245 2.976 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.499 -7.220 -1.453 1.00 0.00 H ATOM 113 HE2 PHE A 7 3.916 -7.639 2.803 1.00 0.00 H ATOM 114 HZ PHE A 7 3.396 -8.626 0.588 1.00 0.00 H ATOM 115 N TYR A 8 4.054 -0.352 0.824 1.00 0.00 N ATOM 116 CA TYR A 8 3.366 0.846 1.374 1.00 0.00 C ATOM 117 C TYR A 8 2.390 1.369 0.317 1.00 0.00 C ATOM 118 O TYR A 8 1.339 1.899 0.626 1.00 0.00 O ATOM 119 CB TYR A 8 4.474 1.859 1.659 1.00 0.00 C ATOM 120 CG TYR A 8 3.896 3.084 2.337 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.726 2.985 3.101 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.541 4.322 2.207 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.200 4.119 3.731 1.00 0.00 C ATOM 124 CE2 TYR A 8 4.017 5.454 2.839 1.00 0.00 C ATOM 125 CZ TYR A 8 2.846 5.354 3.601 1.00 0.00 C ATOM 126 OH TYR A 8 2.333 6.473 4.225 1.00 0.00 O ATOM 127 H TYR A 8 5.030 -0.348 0.698 1.00 0.00 H ATOM 128 HA TYR A 8 2.848 0.591 2.281 1.00 0.00 H ATOM 129 HB2 TYR A 8 5.210 1.407 2.307 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.943 2.149 0.731 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.225 2.034 3.202 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.444 4.402 1.619 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.298 4.042 4.317 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.514 6.408 2.738 1.00 0.00 H ATOM 135 HH TYR A 8 3.057 6.925 4.662 1.00 0.00 H ATOM 136 N ASP A 9 2.725 1.196 -0.936 1.00 0.00 N ATOM 137 CA ASP A 9 1.819 1.649 -2.022 1.00 0.00 C ATOM 138 C ASP A 9 0.696 0.626 -2.202 1.00 0.00 C ATOM 139 O ASP A 9 -0.465 0.971 -2.306 1.00 0.00 O ATOM 140 CB ASP A 9 2.689 1.719 -3.276 1.00 0.00 C ATOM 141 CG ASP A 9 3.521 3.003 -3.256 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.310 3.809 -2.365 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.357 3.159 -4.131 1.00 0.00 O ATOM 144 H ASP A 9 3.567 0.750 -1.161 1.00 0.00 H ATOM 145 HA ASP A 9 1.421 2.618 -1.796 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.346 0.863 -3.305 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.055 1.718 -4.151 1.00 0.00 H ATOM 148 N LYS A 10 1.038 -0.635 -2.231 1.00 0.00 N ATOM 149 CA LYS A 10 -0.003 -1.690 -2.394 1.00 0.00 C ATOM 150 C LYS A 10 -1.134 -1.472 -1.386 1.00 0.00 C ATOM 151 O LYS A 10 -2.297 -1.449 -1.738 1.00 0.00 O ATOM 152 CB LYS A 10 0.716 -3.008 -2.102 1.00 0.00 C ATOM 153 CG LYS A 10 -0.306 -4.146 -2.063 1.00 0.00 C ATOM 154 CD LYS A 10 0.368 -5.425 -1.563 1.00 0.00 C ATOM 155 CE LYS A 10 0.123 -5.579 -0.057 1.00 0.00 C ATOM 156 NZ LYS A 10 0.551 -6.971 0.271 1.00 0.00 N ATOM 157 H LYS A 10 1.981 -0.888 -2.140 1.00 0.00 H ATOM 158 HA LYS A 10 -0.386 -1.693 -3.401 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.445 -3.201 -2.877 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.214 -2.942 -1.146 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.115 -3.880 -1.397 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.697 -4.312 -3.055 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.046 -6.276 -2.084 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.430 -5.369 -1.750 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.717 -4.861 0.493 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.924 -5.453 0.167 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.415 -6.942 0.851 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.739 -7.497 -0.607 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.203 -7.449 0.804 1.00 0.00 H ATOM 170 N VAL A 11 -0.802 -1.322 -0.133 1.00 0.00 N ATOM 171 CA VAL A 11 -1.861 -1.115 0.895 1.00 0.00 C ATOM 172 C VAL A 11 -2.680 0.140 0.585 1.00 0.00 C ATOM 173 O VAL A 11 -3.891 0.094 0.539 1.00 0.00 O ATOM 174 CB VAL A 11 -1.125 -0.976 2.229 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.523 -2.328 2.617 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.006 0.060 2.103 1.00 0.00 C ATOM 177 H VAL A 11 0.139 -1.356 0.132 1.00 0.00 H ATOM 178 HA VAL A 11 -2.509 -1.974 0.928 1.00 0.00 H ATOM 179 HB VAL A 11 -1.824 -0.663 2.993 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.194 -2.843 1.728 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.271 -2.924 3.121 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.317 -2.174 3.277 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.248 0.194 1.066 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.863 -0.284 2.645 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.338 1.001 2.517 1.00 0.00 H ATOM 186 N ALA A 12 -2.046 1.262 0.365 1.00 0.00 N ATOM 187 CA ALA A 12 -2.831 2.493 0.056 1.00 0.00 C ATOM 188 C ALA A 12 -3.867 2.192 -1.021 1.00 0.00 C ATOM 189 O ALA A 12 -4.957 2.730 -1.016 1.00 0.00 O ATOM 190 CB ALA A 12 -1.812 3.515 -0.437 1.00 0.00 C ATOM 191 H ALA A 12 -1.065 1.296 0.399 1.00 0.00 H ATOM 192 HA ALA A 12 -3.319 2.859 0.937 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.294 4.474 -0.547 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.416 3.196 -1.390 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.010 3.594 0.282 1.00 0.00 H ATOM 196 N GLU A 13 -3.547 1.321 -1.933 1.00 0.00 N ATOM 197 CA GLU A 13 -4.525 0.978 -2.990 1.00 0.00 C ATOM 198 C GLU A 13 -5.537 -0.016 -2.433 1.00 0.00 C ATOM 199 O GLU A 13 -6.637 -0.147 -2.932 1.00 0.00 O ATOM 200 CB GLU A 13 -3.707 0.360 -4.119 1.00 0.00 C ATOM 201 CG GLU A 13 -3.946 1.145 -5.412 1.00 0.00 C ATOM 202 CD GLU A 13 -2.603 1.581 -6.001 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.654 1.690 -5.241 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.546 1.800 -7.199 1.00 0.00 O ATOM 205 H GLU A 13 -2.674 0.887 -1.916 1.00 0.00 H ATOM 206 HA GLU A 13 -5.019 1.861 -3.334 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.659 0.398 -3.862 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.010 -0.664 -4.262 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.466 0.520 -6.122 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.543 2.019 -5.198 1.00 0.00 H ATOM 211 N LYS A 14 -5.182 -0.701 -1.381 1.00 0.00 N ATOM 212 CA LYS A 14 -6.126 -1.659 -0.777 1.00 0.00 C ATOM 213 C LYS A 14 -7.053 -0.898 0.152 1.00 0.00 C ATOM 214 O LYS A 14 -8.178 -1.278 0.376 1.00 0.00 O ATOM 215 CB LYS A 14 -5.258 -2.658 -0.004 1.00 0.00 C ATOM 216 CG LYS A 14 -6.129 -3.452 0.975 1.00 0.00 C ATOM 217 CD LYS A 14 -5.581 -3.293 2.395 1.00 0.00 C ATOM 218 CE LYS A 14 -6.442 -4.103 3.370 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.012 -3.657 4.725 1.00 0.00 N ATOM 220 H LYS A 14 -4.309 -0.569 -0.979 1.00 0.00 H ATOM 221 HA LYS A 14 -6.684 -2.154 -1.542 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.788 -3.337 -0.699 1.00 0.00 H ATOM 223 HB3 LYS A 14 -4.498 -2.123 0.546 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.143 -3.085 0.935 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.114 -4.496 0.702 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.562 -3.652 2.430 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.606 -2.251 2.677 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.489 -3.887 3.214 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.250 -5.158 3.252 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -6.732 -3.929 5.424 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.898 -2.623 4.729 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.108 -4.108 4.968 1.00 0.00 H ATOM 233 N PHE A 15 -6.603 0.201 0.670 1.00 0.00 N ATOM 234 CA PHE A 15 -7.482 0.994 1.548 1.00 0.00 C ATOM 235 C PHE A 15 -8.402 1.818 0.666 1.00 0.00 C ATOM 236 O PHE A 15 -9.539 2.087 0.999 1.00 0.00 O ATOM 237 CB PHE A 15 -6.554 1.889 2.367 1.00 0.00 C ATOM 238 CG PHE A 15 -5.974 1.105 3.517 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.732 0.889 4.674 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.672 0.596 3.429 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.189 0.164 5.743 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.130 -0.130 4.496 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.888 -0.345 5.654 1.00 0.00 C ATOM 244 H PHE A 15 -5.704 0.517 0.460 1.00 0.00 H ATOM 245 HA PHE A 15 -8.047 0.347 2.187 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.756 2.249 1.737 1.00 0.00 H ATOM 247 HB3 PHE A 15 -7.116 2.727 2.752 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.736 1.281 4.742 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.088 0.763 2.537 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.773 -0.003 6.636 1.00 0.00 H ATOM 251 HE2 PHE A 15 -3.126 -0.521 4.427 1.00 0.00 H ATOM 252 HZ PHE A 15 -4.467 -0.904 6.478 1.00 0.00 H ATOM 253 N LYS A 16 -7.915 2.198 -0.481 1.00 0.00 N ATOM 254 CA LYS A 16 -8.752 2.989 -1.414 1.00 0.00 C ATOM 255 C LYS A 16 -9.631 2.036 -2.228 1.00 0.00 C ATOM 256 O LYS A 16 -10.662 2.412 -2.749 1.00 0.00 O ATOM 257 CB LYS A 16 -7.752 3.765 -2.292 1.00 0.00 C ATOM 258 CG LYS A 16 -7.549 3.070 -3.643 1.00 0.00 C ATOM 259 CD LYS A 16 -8.739 3.381 -4.554 1.00 0.00 C ATOM 260 CE LYS A 16 -8.233 3.948 -5.883 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.324 5.064 -5.503 1.00 0.00 N ATOM 262 H LYS A 16 -6.999 1.945 -0.732 1.00 0.00 H ATOM 263 HA LYS A 16 -9.362 3.674 -0.857 1.00 0.00 H ATOM 264 HB2 LYS A 16 -8.128 4.764 -2.459 1.00 0.00 H ATOM 265 HB3 LYS A 16 -6.803 3.825 -1.778 1.00 0.00 H ATOM 266 HG2 LYS A 16 -6.640 3.431 -4.101 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.481 2.003 -3.495 1.00 0.00 H ATOM 268 HD2 LYS A 16 -9.299 2.475 -4.738 1.00 0.00 H ATOM 269 HD3 LYS A 16 -9.378 4.108 -4.075 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.693 3.189 -6.433 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.057 4.326 -6.469 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.575 5.411 -4.556 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.417 5.837 -6.193 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.341 4.723 -5.494 1.00 0.00 H ATOM 275 N GLU A 17 -9.232 0.798 -2.318 1.00 0.00 N ATOM 276 CA GLU A 17 -10.037 -0.195 -3.068 1.00 0.00 C ATOM 277 C GLU A 17 -10.843 -1.031 -2.079 1.00 0.00 C ATOM 278 O GLU A 17 -12.057 -1.060 -2.116 1.00 0.00 O ATOM 279 CB GLU A 17 -9.023 -1.063 -3.809 1.00 0.00 C ATOM 280 CG GLU A 17 -8.332 -0.229 -4.889 1.00 0.00 C ATOM 281 CD GLU A 17 -9.037 -0.447 -6.229 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.232 -0.696 -6.212 1.00 0.00 O ATOM 283 OE2 GLU A 17 -8.372 -0.362 -7.247 1.00 0.00 O ATOM 284 H GLU A 17 -8.410 0.519 -1.875 1.00 0.00 H ATOM 285 HA GLU A 17 -10.682 0.299 -3.763 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.288 -1.432 -3.111 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.533 -1.895 -4.271 1.00 0.00 H ATOM 288 HG2 GLU A 17 -8.379 0.816 -4.621 1.00 0.00 H ATOM 289 HG3 GLU A 17 -7.300 -0.533 -4.974 1.00 0.00 H ATOM 290 N ALA A 18 -10.170 -1.697 -1.182 1.00 0.00 N ATOM 291 CA ALA A 18 -10.883 -2.516 -0.174 1.00 0.00 C ATOM 292 C ALA A 18 -11.724 -1.595 0.711 1.00 0.00 C ATOM 293 O ALA A 18 -12.686 -2.011 1.326 1.00 0.00 O ATOM 294 CB ALA A 18 -9.773 -3.195 0.629 1.00 0.00 C ATOM 295 H ALA A 18 -9.194 -1.646 -1.164 1.00 0.00 H ATOM 296 HA ALA A 18 -11.503 -3.254 -0.654 1.00 0.00 H ATOM 297 HB1 ALA A 18 -8.895 -3.297 0.005 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.101 -4.170 0.950 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.530 -2.590 1.491 1.00 0.00 H ATOM 300 N PHE A 19 -11.373 -0.335 0.766 1.00 0.00 N ATOM 301 CA PHE A 19 -12.150 0.623 1.591 1.00 0.00 C ATOM 302 C PHE A 19 -12.513 1.857 0.763 1.00 0.00 C ATOM 303 O PHE A 19 -11.747 2.293 -0.073 1.00 0.00 O ATOM 304 CB PHE A 19 -11.229 1.005 2.743 1.00 0.00 C ATOM 305 CG PHE A 19 -11.793 0.461 4.031 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.100 0.786 4.415 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.011 -0.372 4.838 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.625 0.278 5.609 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.537 -0.882 6.032 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.844 -0.557 6.418 1.00 0.00 C ATOM 311 H PHE A 19 -10.605 -0.018 0.255 1.00 0.00 H ATOM 312 HA PHE A 19 -13.029 0.150 1.969 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.248 0.589 2.573 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.163 2.079 2.806 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.701 1.431 3.792 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.004 -0.623 4.541 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.631 0.528 5.906 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.934 -1.525 6.655 1.00 0.00 H ATOM 319 HZ PHE A 19 -13.248 -0.949 7.338 1.00 0.00 H HETATM 320 N NH2 A 20 -13.660 2.446 0.964 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.903 3.237 0.440 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.279 2.096 1.638 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 11 HETATM 1 C ACE A 1 12.002 -0.060 -0.358 1.00 0.00 C HETATM 2 O ACE A 1 11.020 0.651 -0.396 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.896 -0.112 0.868 1.00 0.00 C HETATM 4 H1 ACE A 1 12.412 0.403 1.682 1.00 0.00 H HETATM 5 H2 ACE A 1 13.838 0.356 0.646 1.00 0.00 H HETATM 6 H3 ACE A 1 13.059 -1.144 1.141 1.00 0.00 H ATOM 7 N ASP A 2 12.298 -0.858 -1.337 1.00 0.00 N ATOM 8 CA ASP A 2 11.427 -0.908 -2.519 1.00 0.00 C ATOM 9 C ASP A 2 10.336 -1.866 -2.114 1.00 0.00 C ATOM 10 O ASP A 2 9.165 -1.648 -2.332 1.00 0.00 O ATOM 11 CB ASP A 2 12.291 -1.458 -3.661 1.00 0.00 C ATOM 12 CG ASP A 2 12.483 -2.967 -3.493 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.599 -3.706 -3.896 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.509 -3.358 -2.965 1.00 0.00 O ATOM 15 H ASP A 2 13.049 -1.464 -1.264 1.00 0.00 H ATOM 16 HA ASP A 2 11.034 0.064 -2.752 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.803 -1.259 -4.604 1.00 0.00 H ATOM 18 HB3 ASP A 2 13.255 -0.971 -3.645 1.00 0.00 H ATOM 19 N TRP A 3 10.752 -2.897 -1.431 1.00 0.00 N ATOM 20 CA TRP A 3 9.804 -3.877 -0.888 1.00 0.00 C ATOM 21 C TRP A 3 9.023 -3.175 0.232 1.00 0.00 C ATOM 22 O TRP A 3 7.917 -3.541 0.576 1.00 0.00 O ATOM 23 CB TRP A 3 10.689 -4.979 -0.311 1.00 0.00 C ATOM 24 CG TRP A 3 11.518 -4.338 0.738 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.053 -3.972 1.946 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.920 -3.949 0.699 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.049 -3.338 2.633 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.235 -3.322 1.926 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.936 -4.074 -0.266 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.513 -2.832 2.189 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.225 -3.583 -0.004 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.514 -2.966 1.222 1.00 0.00 C ATOM 33 H TRP A 3 11.704 -2.993 -1.231 1.00 0.00 H ATOM 34 HA TRP A 3 9.169 -4.248 -1.648 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.075 -5.759 0.122 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.324 -5.391 -1.080 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.040 -4.107 2.295 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.945 -2.955 3.515 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.722 -4.546 -1.214 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.730 -2.359 3.134 1.00 0.00 H ATOM 41 HZ3 TRP A 3 16.000 -3.683 -0.749 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.507 -2.590 1.418 1.00 0.00 H ATOM 43 N PHE A 4 9.622 -2.144 0.796 1.00 0.00 N ATOM 44 CA PHE A 4 8.959 -1.379 1.881 1.00 0.00 C ATOM 45 C PHE A 4 7.853 -0.568 1.243 1.00 0.00 C ATOM 46 O PHE A 4 6.691 -0.687 1.577 1.00 0.00 O ATOM 47 CB PHE A 4 10.053 -0.471 2.455 1.00 0.00 C ATOM 48 CG PHE A 4 9.468 0.437 3.512 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.564 1.442 3.151 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.832 0.273 4.853 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.023 2.283 4.131 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.289 1.113 5.834 1.00 0.00 C ATOM 53 CZ PHE A 4 8.384 2.117 5.473 1.00 0.00 C ATOM 54 H PHE A 4 10.508 -1.873 0.491 1.00 0.00 H ATOM 55 HA PHE A 4 8.576 -2.040 2.636 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.827 -1.082 2.897 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.475 0.128 1.662 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.287 1.570 2.115 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.530 -0.502 5.131 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.324 3.059 3.852 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.569 0.986 6.870 1.00 0.00 H ATOM 62 HZ PHE A 4 7.965 2.764 6.230 1.00 0.00 H ATOM 63 N LYS A 5 8.212 0.215 0.268 1.00 0.00 N ATOM 64 CA LYS A 5 7.195 0.988 -0.463 1.00 0.00 C ATOM 65 C LYS A 5 6.411 0.011 -1.340 1.00 0.00 C ATOM 66 O LYS A 5 5.435 0.366 -1.972 1.00 0.00 O ATOM 67 CB LYS A 5 7.975 1.984 -1.313 1.00 0.00 C ATOM 68 CG LYS A 5 7.560 3.408 -0.942 1.00 0.00 C ATOM 69 CD LYS A 5 7.952 3.690 0.507 1.00 0.00 C ATOM 70 CE LYS A 5 8.428 5.137 0.633 1.00 0.00 C ATOM 71 NZ LYS A 5 8.057 5.540 2.017 1.00 0.00 N ATOM 72 H LYS A 5 9.147 0.252 -0.007 1.00 0.00 H ATOM 73 HA LYS A 5 6.547 1.503 0.216 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.031 1.858 -1.132 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.763 1.809 -2.357 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.060 4.110 -1.594 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.492 3.512 -1.053 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.095 3.534 1.149 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.749 3.023 0.802 1.00 0.00 H ATOM 80 HE2 LYS A 5 9.499 5.192 0.496 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.921 5.764 -0.083 1.00 0.00 H ATOM 82 HZ1 LYS A 5 7.234 4.985 2.332 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.818 6.552 2.030 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.857 5.364 2.657 1.00 0.00 H ATOM 85 N ALA A 6 6.835 -1.237 -1.373 1.00 0.00 N ATOM 86 CA ALA A 6 6.113 -2.243 -2.195 1.00 0.00 C ATOM 87 C ALA A 6 4.867 -2.715 -1.450 1.00 0.00 C ATOM 88 O ALA A 6 3.851 -3.010 -2.046 1.00 0.00 O ATOM 89 CB ALA A 6 7.101 -3.386 -2.392 1.00 0.00 C ATOM 90 H ALA A 6 7.628 -1.512 -0.850 1.00 0.00 H ATOM 91 HA ALA A 6 5.847 -1.826 -3.144 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.598 -4.220 -2.853 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.494 -3.683 -1.438 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.908 -3.058 -3.030 1.00 0.00 H ATOM 95 N PHE A 7 4.923 -2.763 -0.146 1.00 0.00 N ATOM 96 CA PHE A 7 3.731 -3.184 0.623 1.00 0.00 C ATOM 97 C PHE A 7 2.873 -1.954 0.911 1.00 0.00 C ATOM 98 O PHE A 7 1.667 -2.029 1.011 1.00 0.00 O ATOM 99 CB PHE A 7 4.263 -3.813 1.923 1.00 0.00 C ATOM 100 CG PHE A 7 4.807 -2.749 2.859 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.936 -1.833 3.462 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.182 -2.687 3.135 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.432 -0.858 4.333 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.677 -1.709 4.008 1.00 0.00 C ATOM 105 CZ PHE A 7 5.802 -0.795 4.607 1.00 0.00 C ATOM 106 H PHE A 7 5.735 -2.504 0.321 1.00 0.00 H ATOM 107 HA PHE A 7 3.173 -3.906 0.063 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.459 -4.339 2.416 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.051 -4.512 1.683 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.880 -1.877 3.252 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.859 -3.392 2.675 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.758 -0.153 4.797 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.732 -1.662 4.223 1.00 0.00 H ATOM 114 HZ PHE A 7 6.185 -0.043 5.279 1.00 0.00 H ATOM 115 N TYR A 8 3.499 -0.817 1.036 1.00 0.00 N ATOM 116 CA TYR A 8 2.741 0.428 1.310 1.00 0.00 C ATOM 117 C TYR A 8 1.966 0.844 0.059 1.00 0.00 C ATOM 118 O TYR A 8 0.931 1.477 0.134 1.00 0.00 O ATOM 119 CB TYR A 8 3.816 1.457 1.647 1.00 0.00 C ATOM 120 CG TYR A 8 3.294 2.516 2.598 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.985 2.462 3.107 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.143 3.562 2.979 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.537 3.452 3.991 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.693 4.550 3.861 1.00 0.00 C ATOM 125 CZ TYR A 8 2.390 4.495 4.368 1.00 0.00 C ATOM 126 OH TYR A 8 1.945 5.469 5.239 1.00 0.00 O ATOM 127 H TYR A 8 4.471 -0.782 0.947 1.00 0.00 H ATOM 128 HA TYR A 8 2.086 0.282 2.142 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.652 0.953 2.104 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.143 1.931 0.734 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.320 1.664 2.820 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.149 3.607 2.588 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.532 3.409 4.383 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.352 5.354 4.150 1.00 0.00 H ATOM 135 HH TYR A 8 2.678 6.064 5.412 1.00 0.00 H ATOM 136 N ASP A 9 2.464 0.483 -1.094 1.00 0.00 N ATOM 137 CA ASP A 9 1.763 0.846 -2.355 1.00 0.00 C ATOM 138 C ASP A 9 0.610 -0.125 -2.599 1.00 0.00 C ATOM 139 O ASP A 9 -0.534 0.270 -2.722 1.00 0.00 O ATOM 140 CB ASP A 9 2.818 0.726 -3.457 1.00 0.00 C ATOM 141 CG ASP A 9 2.140 0.802 -4.828 1.00 0.00 C ATOM 142 OD1 ASP A 9 0.964 1.125 -4.873 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.811 0.534 -5.812 1.00 0.00 O ATOM 144 H ASP A 9 3.295 -0.028 -1.128 1.00 0.00 H ATOM 145 HA ASP A 9 1.402 1.855 -2.298 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.527 1.536 -3.360 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.334 -0.217 -3.362 1.00 0.00 H ATOM 148 N LYS A 10 0.895 -1.397 -2.660 1.00 0.00 N ATOM 149 CA LYS A 10 -0.192 -2.387 -2.882 1.00 0.00 C ATOM 150 C LYS A 10 -1.260 -2.248 -1.790 1.00 0.00 C ATOM 151 O LYS A 10 -2.443 -2.203 -2.065 1.00 0.00 O ATOM 152 CB LYS A 10 0.487 -3.748 -2.802 1.00 0.00 C ATOM 153 CG LYS A 10 0.099 -4.585 -4.022 1.00 0.00 C ATOM 154 CD LYS A 10 -0.015 -6.056 -3.620 1.00 0.00 C ATOM 155 CE LYS A 10 -1.442 -6.544 -3.876 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.118 -6.469 -2.550 1.00 0.00 N ATOM 157 H LYS A 10 1.823 -1.700 -2.552 1.00 0.00 H ATOM 158 HA LYS A 10 -0.626 -2.256 -3.854 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.558 -3.612 -2.785 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.171 -4.255 -1.905 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.852 -4.241 -4.404 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.854 -4.480 -4.785 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.678 -6.644 -4.205 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.217 -6.162 -2.572 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.936 -5.898 -4.590 1.00 0.00 H ATOM 166 HE3 LYS A 10 -1.435 -7.564 -4.231 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.998 -5.514 -2.153 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.698 -7.170 -1.905 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -3.132 -6.668 -2.666 1.00 0.00 H ATOM 170 N VAL A 11 -0.853 -2.170 -0.549 1.00 0.00 N ATOM 171 CA VAL A 11 -1.851 -2.025 0.547 1.00 0.00 C ATOM 172 C VAL A 11 -2.670 -0.746 0.339 1.00 0.00 C ATOM 173 O VAL A 11 -3.881 -0.744 0.450 1.00 0.00 O ATOM 174 CB VAL A 11 -1.021 -1.963 1.835 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.508 -0.541 2.079 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.885 -2.402 3.019 1.00 0.00 C ATOM 177 H VAL A 11 0.104 -2.202 -0.342 1.00 0.00 H ATOM 178 HA VAL A 11 -2.499 -2.885 0.572 1.00 0.00 H ATOM 179 HB VAL A 11 -0.180 -2.630 1.743 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.132 -0.243 1.260 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.055 -0.517 3.001 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.344 0.139 2.151 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.567 -1.607 3.282 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.251 -2.627 3.863 1.00 0.00 H ATOM 185 HG23 VAL A 11 -2.448 -3.284 2.747 1.00 0.00 H ATOM 186 N ALA A 12 -2.016 0.339 0.025 1.00 0.00 N ATOM 187 CA ALA A 12 -2.748 1.614 -0.205 1.00 0.00 C ATOM 188 C ALA A 12 -3.767 1.433 -1.319 1.00 0.00 C ATOM 189 O ALA A 12 -4.780 2.100 -1.355 1.00 0.00 O ATOM 190 CB ALA A 12 -1.680 2.624 -0.599 1.00 0.00 C ATOM 191 H ALA A 12 -1.042 0.310 -0.066 1.00 0.00 H ATOM 192 HA ALA A 12 -3.242 1.934 0.690 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.859 2.109 -1.072 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.328 3.133 0.286 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.102 3.342 -1.287 1.00 0.00 H ATOM 196 N GLU A 13 -3.523 0.521 -2.217 1.00 0.00 N ATOM 197 CA GLU A 13 -4.504 0.293 -3.300 1.00 0.00 C ATOM 198 C GLU A 13 -5.709 -0.427 -2.707 1.00 0.00 C ATOM 199 O GLU A 13 -6.835 -0.247 -3.134 1.00 0.00 O ATOM 200 CB GLU A 13 -3.793 -0.587 -4.329 1.00 0.00 C ATOM 201 CG GLU A 13 -4.830 -1.173 -5.291 1.00 0.00 C ATOM 202 CD GLU A 13 -4.153 -1.555 -6.609 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.365 -0.763 -7.099 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.436 -2.632 -7.107 1.00 0.00 O ATOM 205 H GLU A 13 -2.711 -0.017 -2.166 1.00 0.00 H ATOM 206 HA GLU A 13 -4.798 1.225 -3.739 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.080 0.008 -4.882 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.279 -1.390 -3.825 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.277 -2.051 -4.848 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.595 -0.437 -5.483 1.00 0.00 H ATOM 211 N LYS A 14 -5.482 -1.214 -1.691 1.00 0.00 N ATOM 212 CA LYS A 14 -6.603 -1.911 -1.044 1.00 0.00 C ATOM 213 C LYS A 14 -7.343 -0.894 -0.199 1.00 0.00 C ATOM 214 O LYS A 14 -8.531 -0.965 -0.022 1.00 0.00 O ATOM 215 CB LYS A 14 -5.967 -2.993 -0.177 1.00 0.00 C ATOM 216 CG LYS A 14 -6.913 -4.190 -0.079 1.00 0.00 C ATOM 217 CD LYS A 14 -7.239 -4.458 1.393 1.00 0.00 C ATOM 218 CE LYS A 14 -6.153 -5.348 2.006 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.880 -6.280 2.913 1.00 0.00 N ATOM 220 H LYS A 14 -4.583 -1.319 -1.337 1.00 0.00 H ATOM 221 HA LYS A 14 -7.250 -2.347 -1.778 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.034 -3.305 -0.624 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.783 -2.600 0.810 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.824 -3.972 -0.618 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.438 -5.060 -0.506 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.281 -3.518 1.925 1.00 0.00 H ATOM 227 HD3 LYS A 14 -8.193 -4.957 1.462 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.638 -5.900 1.231 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.455 -4.752 2.574 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -6.392 -7.197 2.933 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.854 -6.412 2.567 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.905 -5.881 3.872 1.00 0.00 H ATOM 233 N PHE A 15 -6.639 0.083 0.294 1.00 0.00 N ATOM 234 CA PHE A 15 -7.303 1.131 1.097 1.00 0.00 C ATOM 235 C PHE A 15 -8.127 1.997 0.153 1.00 0.00 C ATOM 236 O PHE A 15 -9.157 2.531 0.509 1.00 0.00 O ATOM 237 CB PHE A 15 -6.155 1.913 1.760 1.00 0.00 C ATOM 238 CG PHE A 15 -6.451 3.397 1.772 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.238 4.161 0.620 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.934 4.003 2.937 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.509 5.534 0.632 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.205 5.375 2.950 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.992 6.142 1.797 1.00 0.00 C ATOM 244 H PHE A 15 -5.681 0.138 0.108 1.00 0.00 H ATOM 245 HA PHE A 15 -7.934 0.682 1.837 1.00 0.00 H ATOM 246 HB2 PHE A 15 -6.031 1.570 2.776 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.242 1.738 1.212 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.865 3.691 -0.278 1.00 0.00 H ATOM 249 HD2 PHE A 15 -7.099 3.412 3.826 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.346 6.125 -0.257 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.579 5.845 3.849 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.200 7.201 1.808 1.00 0.00 H ATOM 253 N LYS A 16 -7.681 2.115 -1.061 1.00 0.00 N ATOM 254 CA LYS A 16 -8.434 2.922 -2.051 1.00 0.00 C ATOM 255 C LYS A 16 -9.759 2.231 -2.341 1.00 0.00 C ATOM 256 O LYS A 16 -10.781 2.864 -2.518 1.00 0.00 O ATOM 257 CB LYS A 16 -7.551 2.946 -3.295 1.00 0.00 C ATOM 258 CG LYS A 16 -7.704 4.283 -4.024 1.00 0.00 C ATOM 259 CD LYS A 16 -6.883 4.250 -5.318 1.00 0.00 C ATOM 260 CE LYS A 16 -6.139 5.576 -5.493 1.00 0.00 C ATOM 261 NZ LYS A 16 -4.779 5.330 -4.936 1.00 0.00 N ATOM 262 H LYS A 16 -6.854 1.661 -1.324 1.00 0.00 H ATOM 263 HA LYS A 16 -8.597 3.911 -1.680 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.521 2.813 -3.001 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.846 2.145 -3.954 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.745 4.448 -4.259 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.344 5.082 -3.392 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.169 3.440 -5.270 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.544 4.097 -6.160 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.076 5.836 -6.542 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.629 6.360 -4.938 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -4.323 6.237 -4.718 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -4.206 4.812 -5.635 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -4.857 4.765 -4.066 1.00 0.00 H ATOM 275 N GLU A 17 -9.750 0.930 -2.360 1.00 0.00 N ATOM 276 CA GLU A 17 -11.007 0.185 -2.603 1.00 0.00 C ATOM 277 C GLU A 17 -11.638 -0.127 -1.253 1.00 0.00 C ATOM 278 O GLU A 17 -12.693 0.367 -0.909 1.00 0.00 O ATOM 279 CB GLU A 17 -10.587 -1.092 -3.321 1.00 0.00 C ATOM 280 CG GLU A 17 -11.461 -1.289 -4.560 1.00 0.00 C ATOM 281 CD GLU A 17 -12.149 -2.652 -4.485 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.354 -3.130 -3.381 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.456 -3.197 -5.533 1.00 0.00 O ATOM 284 H GLU A 17 -8.918 0.443 -2.188 1.00 0.00 H ATOM 285 HA GLU A 17 -11.668 0.759 -3.217 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.553 -1.011 -3.619 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.710 -1.934 -2.660 1.00 0.00 H ATOM 288 HG2 GLU A 17 -12.209 -0.509 -4.602 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.846 -1.245 -5.446 1.00 0.00 H ATOM 290 N ALA A 18 -10.964 -0.925 -0.476 1.00 0.00 N ATOM 291 CA ALA A 18 -11.465 -1.268 0.882 1.00 0.00 C ATOM 292 C ALA A 18 -12.066 -0.020 1.543 1.00 0.00 C ATOM 293 O ALA A 18 -12.942 -0.113 2.383 1.00 0.00 O ATOM 294 CB ALA A 18 -10.218 -1.738 1.640 1.00 0.00 C ATOM 295 H ALA A 18 -10.110 -1.287 -0.782 1.00 0.00 H ATOM 296 HA ALA A 18 -12.192 -2.063 0.832 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.693 -2.473 1.043 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.504 -2.177 2.581 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.564 -0.894 1.817 1.00 0.00 H ATOM 300 N PHE A 19 -11.613 1.153 1.165 1.00 0.00 N ATOM 301 CA PHE A 19 -12.171 2.389 1.766 1.00 0.00 C ATOM 302 C PHE A 19 -12.237 3.505 0.722 1.00 0.00 C ATOM 303 O PHE A 19 -12.372 4.666 1.054 1.00 0.00 O ATOM 304 CB PHE A 19 -11.215 2.760 2.892 1.00 0.00 C ATOM 305 CG PHE A 19 -11.918 2.563 4.210 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.237 3.004 4.367 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.259 1.936 5.272 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.898 2.818 5.585 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.919 1.750 6.493 1.00 0.00 C ATOM 310 CZ PHE A 19 -13.238 2.190 6.649 1.00 0.00 C ATOM 311 H PHE A 19 -10.914 1.220 0.485 1.00 0.00 H ATOM 312 HA PHE A 19 -13.142 2.196 2.166 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.343 2.126 2.847 1.00 0.00 H ATOM 314 HB3 PHE A 19 -10.922 3.793 2.791 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.745 3.489 3.546 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.240 1.597 5.152 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.915 3.156 5.705 1.00 0.00 H ATOM 318 HE2 PHE A 19 -11.408 1.266 7.314 1.00 0.00 H ATOM 319 HZ PHE A 19 -13.748 2.045 7.591 1.00 0.00 H HETATM 320 N NH2 A 20 -12.146 3.195 -0.542 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.187 3.898 -1.224 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.037 2.259 -0.811 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 12 HETATM 1 C ACE A 1 12.085 -1.322 -0.462 1.00 0.00 C HETATM 2 O ACE A 1 11.115 -0.588 -0.469 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.132 -1.240 0.637 1.00 0.00 C HETATM 4 H1 ACE A 1 13.167 -2.184 1.164 1.00 0.00 H HETATM 5 H2 ACE A 1 12.867 -0.453 1.325 1.00 0.00 H HETATM 6 H3 ACE A 1 14.096 -1.034 0.202 1.00 0.00 H ATOM 7 N ASP A 2 12.243 -2.241 -1.369 1.00 0.00 N ATOM 8 CA ASP A 2 11.231 -2.398 -2.425 1.00 0.00 C ATOM 9 C ASP A 2 9.991 -2.890 -1.718 1.00 0.00 C ATOM 10 O ASP A 2 8.884 -2.545 -2.053 1.00 0.00 O ATOM 11 CB ASP A 2 11.783 -3.459 -3.378 1.00 0.00 C ATOM 12 CG ASP A 2 12.201 -4.693 -2.576 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.309 -4.697 -2.065 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.404 -5.612 -2.485 1.00 0.00 O ATOM 15 H ASP A 2 12.994 -2.849 -1.324 1.00 0.00 H ATOM 16 HA ASP A 2 11.053 -1.467 -2.936 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.021 -3.733 -4.093 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.642 -3.063 -3.900 1.00 0.00 H ATOM 19 N TRP A 3 10.210 -3.675 -0.696 1.00 0.00 N ATOM 20 CA TRP A 3 9.095 -4.202 0.116 1.00 0.00 C ATOM 21 C TRP A 3 8.394 -3.031 0.823 1.00 0.00 C ATOM 22 O TRP A 3 7.274 -3.142 1.273 1.00 0.00 O ATOM 23 CB TRP A 3 9.769 -5.125 1.153 1.00 0.00 C ATOM 24 CG TRP A 3 10.222 -4.268 2.286 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.008 -3.190 2.133 1.00 0.00 C ATOM 26 CD2 TRP A 3 9.909 -4.353 3.706 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.152 -2.565 3.342 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.523 -3.258 4.359 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.159 -5.254 4.484 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.395 -3.059 5.734 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.033 -5.062 5.872 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.650 -3.966 6.494 1.00 0.00 C ATOM 33 H TRP A 3 11.129 -3.896 -0.448 1.00 0.00 H ATOM 34 HA TRP A 3 8.418 -4.755 -0.491 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.060 -5.861 1.507 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.619 -5.619 0.707 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.414 -2.840 1.197 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.648 -1.744 3.478 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.680 -6.103 4.016 1.00 0.00 H ATOM 40 HZ2 TRP A 3 10.872 -2.213 6.209 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.458 -5.760 6.461 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.549 -3.822 7.561 1.00 0.00 H ATOM 43 N PHE A 4 9.081 -1.916 0.940 1.00 0.00 N ATOM 44 CA PHE A 4 8.508 -0.735 1.631 1.00 0.00 C ATOM 45 C PHE A 4 7.589 -0.021 0.674 1.00 0.00 C ATOM 46 O PHE A 4 6.408 0.094 0.899 1.00 0.00 O ATOM 47 CB PHE A 4 9.707 0.140 1.987 1.00 0.00 C ATOM 48 CG PHE A 4 9.251 1.300 2.841 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.108 1.139 4.225 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.969 2.537 2.247 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.684 2.214 5.015 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.544 3.611 3.037 1.00 0.00 C ATOM 53 CZ PHE A 4 8.402 3.450 4.421 1.00 0.00 C ATOM 54 H PHE A 4 9.982 -1.861 0.574 1.00 0.00 H ATOM 55 HA PHE A 4 7.988 -1.035 2.518 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.431 -0.449 2.533 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.158 0.516 1.082 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.325 0.186 4.683 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.079 2.661 1.180 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.573 2.090 6.082 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.329 4.565 2.580 1.00 0.00 H ATOM 62 HZ PHE A 4 8.075 4.280 5.030 1.00 0.00 H ATOM 63 N LYS A 5 8.114 0.415 -0.426 1.00 0.00 N ATOM 64 CA LYS A 5 7.243 1.060 -1.423 1.00 0.00 C ATOM 65 C LYS A 5 6.299 -0.015 -1.958 1.00 0.00 C ATOM 66 O LYS A 5 5.307 0.265 -2.599 1.00 0.00 O ATOM 67 CB LYS A 5 8.181 1.562 -2.523 1.00 0.00 C ATOM 68 CG LYS A 5 8.703 0.374 -3.334 1.00 0.00 C ATOM 69 CD LYS A 5 9.979 0.779 -4.073 1.00 0.00 C ATOM 70 CE LYS A 5 9.677 1.951 -5.011 1.00 0.00 C ATOM 71 NZ LYS A 5 10.546 1.725 -6.199 1.00 0.00 N ATOM 72 H LYS A 5 9.065 0.275 -0.609 1.00 0.00 H ATOM 73 HA LYS A 5 6.696 1.877 -0.984 1.00 0.00 H ATOM 74 HB2 LYS A 5 7.644 2.236 -3.174 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.015 2.083 -2.076 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.919 -0.449 -2.666 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.954 0.069 -4.049 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.730 1.077 -3.356 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.341 -0.057 -4.651 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.634 1.945 -5.296 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.934 2.886 -4.538 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.722 2.632 -6.677 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.073 1.072 -6.856 1.00 0.00 H ATOM 84 HZ3 LYS A 5 11.452 1.315 -5.894 1.00 0.00 H ATOM 85 N ALA A 6 6.617 -1.260 -1.685 1.00 0.00 N ATOM 86 CA ALA A 6 5.766 -2.378 -2.167 1.00 0.00 C ATOM 87 C ALA A 6 4.518 -2.524 -1.296 1.00 0.00 C ATOM 88 O ALA A 6 3.447 -2.832 -1.781 1.00 0.00 O ATOM 89 CB ALA A 6 6.651 -3.612 -2.048 1.00 0.00 C ATOM 90 H ALA A 6 7.428 -1.460 -1.158 1.00 0.00 H ATOM 91 HA ALA A 6 5.499 -2.225 -3.190 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.301 -3.671 -2.911 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.038 -4.496 -1.997 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.250 -3.532 -1.156 1.00 0.00 H ATOM 95 N PHE A 7 4.643 -2.314 -0.016 1.00 0.00 N ATOM 96 CA PHE A 7 3.460 -2.455 0.867 1.00 0.00 C ATOM 97 C PHE A 7 2.708 -1.127 0.959 1.00 0.00 C ATOM 98 O PHE A 7 1.497 -1.084 0.920 1.00 0.00 O ATOM 99 CB PHE A 7 4.020 -2.908 2.230 1.00 0.00 C ATOM 100 CG PHE A 7 4.456 -1.723 3.073 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.501 -0.846 3.601 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.817 -1.513 3.343 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.901 0.238 4.391 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.215 -0.431 4.136 1.00 0.00 C ATOM 105 CZ PHE A 7 5.258 0.445 4.659 1.00 0.00 C ATOM 106 H PHE A 7 5.508 -2.074 0.360 1.00 0.00 H ATOM 107 HA PHE A 7 2.812 -3.211 0.474 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.258 -3.458 2.760 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.870 -3.554 2.063 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.456 -1.004 3.396 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.560 -2.186 2.942 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.162 0.914 4.795 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.263 -0.273 4.344 1.00 0.00 H ATOM 114 HZ PHE A 7 5.567 1.280 5.271 1.00 0.00 H ATOM 115 N TYR A 8 3.418 -0.045 1.073 1.00 0.00 N ATOM 116 CA TYR A 8 2.755 1.280 1.162 1.00 0.00 C ATOM 117 C TYR A 8 2.003 1.584 -0.132 1.00 0.00 C ATOM 118 O TYR A 8 1.018 2.294 -0.132 1.00 0.00 O ATOM 119 CB TYR A 8 3.897 2.278 1.365 1.00 0.00 C ATOM 120 CG TYR A 8 3.399 3.679 1.098 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.609 4.331 2.049 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.728 4.324 -0.102 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.146 5.629 1.803 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.265 5.622 -0.348 1.00 0.00 C ATOM 125 CZ TYR A 8 2.474 6.275 0.605 1.00 0.00 C ATOM 126 OH TYR A 8 2.015 7.553 0.362 1.00 0.00 O ATOM 127 H TYR A 8 4.385 -0.103 1.100 1.00 0.00 H ATOM 128 HA TYR A 8 2.085 1.309 2.004 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.256 2.211 2.381 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.700 2.046 0.682 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.355 3.834 2.974 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.340 3.819 -0.835 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.536 6.134 2.539 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.518 6.121 -1.272 1.00 0.00 H ATOM 135 HH TYR A 8 1.952 7.670 -0.588 1.00 0.00 H ATOM 136 N ASP A 9 2.452 1.059 -1.240 1.00 0.00 N ATOM 137 CA ASP A 9 1.742 1.341 -2.515 1.00 0.00 C ATOM 138 C ASP A 9 0.564 0.385 -2.683 1.00 0.00 C ATOM 139 O ASP A 9 -0.572 0.797 -2.806 1.00 0.00 O ATOM 140 CB ASP A 9 2.774 1.122 -3.618 1.00 0.00 C ATOM 141 CG ASP A 9 3.666 2.359 -3.735 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.622 2.452 -2.984 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.374 3.198 -4.572 1.00 0.00 O ATOM 144 H ASP A 9 3.248 0.487 -1.235 1.00 0.00 H ATOM 145 HA ASP A 9 1.407 2.358 -2.530 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.376 0.259 -3.383 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.263 0.961 -4.556 1.00 0.00 H ATOM 148 N LYS A 10 0.828 -0.890 -2.690 1.00 0.00 N ATOM 149 CA LYS A 10 -0.271 -1.879 -2.853 1.00 0.00 C ATOM 150 C LYS A 10 -1.307 -1.730 -1.735 1.00 0.00 C ATOM 151 O LYS A 10 -2.486 -1.935 -1.944 1.00 0.00 O ATOM 152 CB LYS A 10 0.413 -3.241 -2.777 1.00 0.00 C ATOM 153 CG LYS A 10 1.247 -3.458 -4.041 1.00 0.00 C ATOM 154 CD LYS A 10 1.001 -4.866 -4.581 1.00 0.00 C ATOM 155 CE LYS A 10 -0.372 -4.922 -5.253 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.447 -6.281 -5.859 1.00 0.00 N ATOM 157 H LYS A 10 1.751 -1.200 -2.592 1.00 0.00 H ATOM 158 HA LYS A 10 -0.739 -1.762 -3.816 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.056 -3.271 -1.910 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.334 -4.016 -2.703 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.962 -2.731 -4.788 1.00 0.00 H ATOM 162 HG3 LYS A 10 2.295 -3.343 -3.808 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.766 -5.114 -5.303 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.030 -5.575 -3.767 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.156 -4.790 -4.519 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.445 -4.170 -6.022 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.200 -6.224 -6.868 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.414 -6.651 -5.759 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.220 -6.914 -5.377 1.00 0.00 H ATOM 170 N VAL A 11 -0.885 -1.379 -0.549 1.00 0.00 N ATOM 171 CA VAL A 11 -1.866 -1.229 0.557 1.00 0.00 C ATOM 172 C VAL A 11 -2.682 0.050 0.368 1.00 0.00 C ATOM 173 O VAL A 11 -3.889 0.040 0.466 1.00 0.00 O ATOM 174 CB VAL A 11 -1.038 -1.184 1.843 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.474 0.222 2.064 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.930 -1.569 3.025 1.00 0.00 C ATOM 177 H VAL A 11 0.065 -1.219 -0.389 1.00 0.00 H ATOM 178 HA VAL A 11 -2.520 -2.078 0.576 1.00 0.00 H ATOM 179 HB VAL A 11 -0.224 -1.884 1.765 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.287 0.928 2.146 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.156 0.492 1.231 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.108 0.237 2.974 1.00 0.00 H ATOM 183 HG21 VAL A 11 -1.514 -1.168 3.938 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.987 -2.646 3.097 1.00 0.00 H ATOM 185 HG23 VAL A 11 -2.919 -1.166 2.875 1.00 0.00 H ATOM 186 N ALA A 12 -2.038 1.145 0.081 1.00 0.00 N ATOM 187 CA ALA A 12 -2.797 2.409 -0.131 1.00 0.00 C ATOM 188 C ALA A 12 -3.858 2.189 -1.201 1.00 0.00 C ATOM 189 O ALA A 12 -4.940 2.736 -1.142 1.00 0.00 O ATOM 190 CB ALA A 12 -1.768 3.428 -0.597 1.00 0.00 C ATOM 191 H ALA A 12 -1.063 1.132 -0.004 1.00 0.00 H ATOM 192 HA ALA A 12 -3.252 2.739 0.782 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.122 4.422 -0.368 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.625 3.332 -1.663 1.00 0.00 H ATOM 195 HB3 ALA A 12 -0.834 3.251 -0.088 1.00 0.00 H ATOM 196 N GLU A 13 -3.567 1.369 -2.170 1.00 0.00 N ATOM 197 CA GLU A 13 -4.573 1.097 -3.220 1.00 0.00 C ATOM 198 C GLU A 13 -5.598 0.126 -2.659 1.00 0.00 C ATOM 199 O GLU A 13 -6.722 0.049 -3.115 1.00 0.00 O ATOM 200 CB GLU A 13 -3.804 0.477 -4.380 1.00 0.00 C ATOM 201 CG GLU A 13 -3.839 1.426 -5.580 1.00 0.00 C ATOM 202 CD GLU A 13 -2.675 2.414 -5.482 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.545 1.984 -5.649 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.933 3.582 -5.244 1.00 0.00 O ATOM 205 H GLU A 13 -2.700 0.919 -2.193 1.00 0.00 H ATOM 206 HA GLU A 13 -5.042 2.007 -3.530 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.779 0.310 -4.081 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.261 -0.460 -4.651 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.754 0.855 -6.493 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.771 1.970 -5.581 1.00 0.00 H ATOM 211 N LYS A 14 -5.217 -0.605 -1.650 1.00 0.00 N ATOM 212 CA LYS A 14 -6.151 -1.558 -1.027 1.00 0.00 C ATOM 213 C LYS A 14 -6.977 -0.831 0.023 1.00 0.00 C ATOM 214 O LYS A 14 -8.067 -1.230 0.359 1.00 0.00 O ATOM 215 CB LYS A 14 -5.264 -2.628 -0.393 1.00 0.00 C ATOM 216 CG LYS A 14 -6.135 -3.706 0.249 1.00 0.00 C ATOM 217 CD LYS A 14 -5.396 -5.044 0.211 1.00 0.00 C ATOM 218 CE LYS A 14 -6.353 -6.165 0.617 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.765 -6.801 -0.666 1.00 0.00 N ATOM 220 H LYS A 14 -4.317 -0.516 -1.293 1.00 0.00 H ATOM 221 HA LYS A 14 -6.786 -1.987 -1.772 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.639 -3.075 -1.153 1.00 0.00 H ATOM 223 HB3 LYS A 14 -4.640 -2.175 0.365 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.346 -3.437 1.274 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.060 -3.793 -0.299 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.030 -5.225 -0.789 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.564 -5.016 0.899 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.846 -6.881 1.249 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.215 -5.759 1.122 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -6.884 -6.068 -1.393 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.665 -7.305 -0.530 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.033 -7.472 -0.972 1.00 0.00 H ATOM 233 N PHE A 15 -6.479 0.258 0.521 1.00 0.00 N ATOM 234 CA PHE A 15 -7.256 1.019 1.518 1.00 0.00 C ATOM 235 C PHE A 15 -8.260 1.878 0.770 1.00 0.00 C ATOM 236 O PHE A 15 -9.357 2.130 1.230 1.00 0.00 O ATOM 237 CB PHE A 15 -6.239 1.880 2.262 1.00 0.00 C ATOM 238 CG PHE A 15 -6.321 1.595 3.742 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.235 2.292 4.542 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.479 0.634 4.317 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.309 2.027 5.914 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.554 0.370 5.689 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.469 1.066 6.488 1.00 0.00 C ATOM 244 H PHE A 15 -5.612 0.587 0.223 1.00 0.00 H ATOM 245 HA PHE A 15 -7.750 0.355 2.189 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.248 1.650 1.903 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.456 2.921 2.084 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.883 3.034 4.098 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.774 0.096 3.700 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.014 2.564 6.530 1.00 0.00 H ATOM 251 HE2 PHE A 15 -4.905 -0.372 6.132 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.526 0.861 7.547 1.00 0.00 H ATOM 253 N LYS A 16 -7.891 2.305 -0.401 1.00 0.00 N ATOM 254 CA LYS A 16 -8.814 3.132 -1.213 1.00 0.00 C ATOM 255 C LYS A 16 -9.747 2.223 -2.009 1.00 0.00 C ATOM 256 O LYS A 16 -10.815 2.621 -2.428 1.00 0.00 O ATOM 257 CB LYS A 16 -7.918 3.940 -2.150 1.00 0.00 C ATOM 258 CG LYS A 16 -7.407 5.184 -1.422 1.00 0.00 C ATOM 259 CD LYS A 16 -6.732 6.121 -2.425 1.00 0.00 C ATOM 260 CE LYS A 16 -5.416 5.499 -2.897 1.00 0.00 C ATOM 261 NZ LYS A 16 -4.423 5.871 -1.851 1.00 0.00 N ATOM 262 H LYS A 16 -7.007 2.062 -0.754 1.00 0.00 H ATOM 263 HA LYS A 16 -9.372 3.789 -0.580 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.081 3.332 -2.458 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.486 4.240 -3.016 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.236 5.693 -0.954 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.691 4.894 -0.668 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.386 6.271 -3.272 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.530 7.071 -1.953 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.513 4.424 -2.963 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.124 5.913 -3.849 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -3.719 5.112 -1.756 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -4.912 6.009 -0.943 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -3.944 6.752 -2.125 1.00 0.00 H ATOM 275 N GLU A 17 -9.349 0.996 -2.207 1.00 0.00 N ATOM 276 CA GLU A 17 -10.205 0.045 -2.961 1.00 0.00 C ATOM 277 C GLU A 17 -10.931 -0.869 -1.979 1.00 0.00 C ATOM 278 O GLU A 17 -12.140 -0.987 -1.993 1.00 0.00 O ATOM 279 CB GLU A 17 -9.246 -0.752 -3.843 1.00 0.00 C ATOM 280 CG GLU A 17 -10.014 -1.364 -5.016 1.00 0.00 C ATOM 281 CD GLU A 17 -9.757 -2.871 -5.068 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.646 -3.274 -4.764 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.677 -3.597 -5.409 1.00 0.00 O ATOM 284 H GLU A 17 -8.493 0.697 -1.848 1.00 0.00 H ATOM 285 HA GLU A 17 -10.903 0.580 -3.566 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.479 -0.094 -4.221 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.793 -1.538 -3.261 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.071 -1.181 -4.888 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.681 -0.911 -5.938 1.00 0.00 H ATOM 290 N ALA A 18 -10.194 -1.504 -1.115 1.00 0.00 N ATOM 291 CA ALA A 18 -10.821 -2.398 -0.114 1.00 0.00 C ATOM 292 C ALA A 18 -11.530 -1.551 0.944 1.00 0.00 C ATOM 293 O ALA A 18 -12.380 -2.024 1.671 1.00 0.00 O ATOM 294 CB ALA A 18 -9.655 -3.169 0.500 1.00 0.00 C ATOM 295 H ALA A 18 -9.226 -1.384 -1.118 1.00 0.00 H ATOM 296 HA ALA A 18 -11.508 -3.076 -0.589 1.00 0.00 H ATOM 297 HB1 ALA A 18 -8.809 -3.131 -0.172 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.944 -4.195 0.660 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.383 -2.716 1.442 1.00 0.00 H ATOM 300 N PHE A 19 -11.181 -0.294 1.029 1.00 0.00 N ATOM 301 CA PHE A 19 -11.827 0.592 2.030 1.00 0.00 C ATOM 302 C PHE A 19 -11.923 2.024 1.498 1.00 0.00 C ATOM 303 O PHE A 19 -11.820 2.975 2.246 1.00 0.00 O ATOM 304 CB PHE A 19 -10.918 0.533 3.254 1.00 0.00 C ATOM 305 CG PHE A 19 -11.054 -0.817 3.914 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.134 -1.074 4.768 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.102 -1.813 3.671 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.261 -2.327 5.378 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.229 -3.067 4.280 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.309 -3.324 5.133 1.00 0.00 C ATOM 311 H PHE A 19 -10.496 0.065 0.434 1.00 0.00 H ATOM 312 HA PHE A 19 -12.798 0.217 2.278 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.894 0.685 2.948 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.206 1.305 3.951 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.867 -0.304 4.957 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.270 -1.615 3.012 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.093 -2.526 6.037 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.495 -3.836 4.092 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.406 -4.292 5.603 1.00 0.00 H HETATM 320 N NH2 A 20 -12.122 2.221 0.222 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.187 3.134 -0.128 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.205 1.457 -0.385 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 13 HETATM 1 C ACE A 1 12.418 -0.589 -0.504 1.00 0.00 C HETATM 2 O ACE A 1 11.409 -0.163 0.026 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.587 -1.110 0.320 1.00 0.00 C HETATM 4 H1 ACE A 1 14.442 -0.472 0.174 1.00 0.00 H HETATM 5 H2 ACE A 1 13.823 -2.116 0.003 1.00 0.00 H HETATM 6 H3 ACE A 1 13.311 -1.117 1.362 1.00 0.00 H ATOM 7 N ASP A 2 12.519 -0.660 -1.798 1.00 0.00 N ATOM 8 CA ASP A 2 11.389 -0.219 -2.631 1.00 0.00 C ATOM 9 C ASP A 2 10.286 -1.208 -2.353 1.00 0.00 C ATOM 10 O ASP A 2 9.123 -0.876 -2.284 1.00 0.00 O ATOM 11 CB ASP A 2 11.870 -0.305 -4.077 1.00 0.00 C ATOM 12 CG ASP A 2 12.978 0.726 -4.309 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.061 0.531 -3.782 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.724 1.691 -5.010 1.00 0.00 O ATOM 15 H ASP A 2 13.305 -1.045 -2.208 1.00 0.00 H ATOM 16 HA ASP A 2 11.091 0.785 -2.379 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.249 -1.295 -4.273 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.046 -0.097 -4.741 1.00 0.00 H ATOM 19 N TRP A 3 10.680 -2.433 -2.131 1.00 0.00 N ATOM 20 CA TRP A 3 9.705 -3.482 -1.790 1.00 0.00 C ATOM 21 C TRP A 3 9.030 -3.088 -0.458 1.00 0.00 C ATOM 22 O TRP A 3 7.964 -3.558 -0.115 1.00 0.00 O ATOM 23 CB TRP A 3 10.541 -4.767 -1.631 1.00 0.00 C ATOM 24 CG TRP A 3 11.063 -4.795 -0.241 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.761 -3.792 0.308 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.910 -5.810 0.788 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.010 -4.086 1.620 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.532 -5.338 1.967 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.300 -7.076 0.818 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.545 -6.094 3.140 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.315 -7.842 1.994 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.938 -7.353 3.152 1.00 0.00 C ATOM 33 H TRP A 3 11.634 -2.647 -2.154 1.00 0.00 H ATOM 34 HA TRP A 3 8.996 -3.596 -2.575 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.920 -5.632 -1.808 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.365 -4.758 -2.329 1.00 0.00 H ATOM 37 HD1 TRP A 3 12.043 -2.878 -0.192 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.475 -3.499 2.234 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.818 -7.463 -0.070 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.026 -5.713 4.030 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.846 -8.814 2.006 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.944 -7.948 4.053 1.00 0.00 H ATOM 43 N PHE A 4 9.680 -2.217 0.287 1.00 0.00 N ATOM 44 CA PHE A 4 9.146 -1.760 1.595 1.00 0.00 C ATOM 45 C PHE A 4 8.020 -0.789 1.332 1.00 0.00 C ATOM 46 O PHE A 4 6.879 -1.015 1.690 1.00 0.00 O ATOM 47 CB PHE A 4 10.318 -1.045 2.263 1.00 0.00 C ATOM 48 CG PHE A 4 10.210 -1.167 3.763 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.104 -0.633 4.436 1.00 0.00 C ATOM 50 CD2 PHE A 4 11.220 -1.820 4.479 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.010 -0.754 5.828 1.00 0.00 C ATOM 52 CE2 PHE A 4 11.127 -1.940 5.870 1.00 0.00 C ATOM 53 CZ PHE A 4 10.020 -1.409 6.545 1.00 0.00 C ATOM 54 H PHE A 4 10.528 -1.858 -0.024 1.00 0.00 H ATOM 55 HA PHE A 4 8.824 -2.591 2.185 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.241 -1.495 1.933 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.305 -0.003 1.986 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.324 -0.130 3.884 1.00 0.00 H ATOM 59 HD2 PHE A 4 12.073 -2.227 3.957 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.156 -0.344 6.348 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.906 -2.445 6.421 1.00 0.00 H ATOM 62 HZ PHE A 4 9.947 -1.505 7.618 1.00 0.00 H ATOM 63 N LYS A 5 8.330 0.270 0.650 1.00 0.00 N ATOM 64 CA LYS A 5 7.277 1.235 0.293 1.00 0.00 C ATOM 65 C LYS A 5 6.401 0.580 -0.773 1.00 0.00 C ATOM 66 O LYS A 5 5.366 1.093 -1.153 1.00 0.00 O ATOM 67 CB LYS A 5 8.004 2.453 -0.267 1.00 0.00 C ATOM 68 CG LYS A 5 7.349 3.726 0.273 1.00 0.00 C ATOM 69 CD LYS A 5 8.430 4.686 0.771 1.00 0.00 C ATOM 70 CE LYS A 5 8.185 6.081 0.189 1.00 0.00 C ATOM 71 NZ LYS A 5 8.977 7.001 1.053 1.00 0.00 N ATOM 72 H LYS A 5 9.250 0.399 0.337 1.00 0.00 H ATOM 73 HA LYS A 5 6.702 1.503 1.156 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.039 2.421 0.034 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.939 2.445 -1.343 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.781 4.201 -0.515 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.691 3.474 1.090 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.398 4.735 1.850 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.400 4.332 0.455 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.533 6.126 -0.833 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.138 6.332 0.244 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.707 7.984 0.850 1.00 0.00 H ATOM 83 HZ2 LYS A 5 9.991 6.871 0.858 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.784 6.790 2.052 1.00 0.00 H ATOM 85 N ALA A 6 6.820 -0.567 -1.257 1.00 0.00 N ATOM 86 CA ALA A 6 6.029 -1.276 -2.293 1.00 0.00 C ATOM 87 C ALA A 6 4.920 -2.094 -1.638 1.00 0.00 C ATOM 88 O ALA A 6 3.866 -2.287 -2.207 1.00 0.00 O ATOM 89 CB ALA A 6 7.030 -2.183 -2.988 1.00 0.00 C ATOM 90 H ALA A 6 7.661 -0.966 -0.935 1.00 0.00 H ATOM 91 HA ALA A 6 5.624 -0.579 -2.994 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.574 -2.729 -2.241 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.714 -1.586 -3.575 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.510 -2.871 -3.631 1.00 0.00 H ATOM 95 N PHE A 7 5.139 -2.567 -0.438 1.00 0.00 N ATOM 96 CA PHE A 7 4.079 -3.349 0.245 1.00 0.00 C ATOM 97 C PHE A 7 3.141 -2.376 0.961 1.00 0.00 C ATOM 98 O PHE A 7 1.951 -2.606 1.077 1.00 0.00 O ATOM 99 CB PHE A 7 4.808 -4.288 1.222 1.00 0.00 C ATOM 100 CG PHE A 7 5.315 -3.536 2.437 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.414 -2.966 3.348 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.692 -3.429 2.664 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.889 -2.289 4.478 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.165 -2.753 3.794 1.00 0.00 C ATOM 105 CZ PHE A 7 6.265 -2.183 4.701 1.00 0.00 C ATOM 106 H PHE A 7 5.987 -2.397 0.012 1.00 0.00 H ATOM 107 HA PHE A 7 3.533 -3.924 -0.478 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.129 -5.063 1.544 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.646 -4.743 0.714 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.354 -3.048 3.179 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.394 -3.865 1.966 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.192 -1.853 5.178 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.226 -2.677 3.965 1.00 0.00 H ATOM 114 HZ PHE A 7 6.634 -1.660 5.572 1.00 0.00 H ATOM 115 N TYR A 8 3.671 -1.271 1.412 1.00 0.00 N ATOM 116 CA TYR A 8 2.824 -0.254 2.084 1.00 0.00 C ATOM 117 C TYR A 8 1.984 0.449 1.019 1.00 0.00 C ATOM 118 O TYR A 8 0.890 0.924 1.265 1.00 0.00 O ATOM 119 CB TYR A 8 3.814 0.712 2.733 1.00 0.00 C ATOM 120 CG TYR A 8 3.061 1.781 3.485 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.288 2.715 2.786 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.139 1.840 4.881 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.593 3.708 3.483 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.443 2.834 5.578 1.00 0.00 C ATOM 125 CZ TYR A 8 1.669 3.769 4.880 1.00 0.00 C ATOM 126 OH TYR A 8 0.984 4.749 5.567 1.00 0.00 O ATOM 127 H TYR A 8 4.623 -1.100 1.286 1.00 0.00 H ATOM 128 HA TYR A 8 2.203 -0.715 2.830 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.448 0.169 3.418 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.420 1.171 1.967 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.229 2.670 1.710 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.736 1.119 5.420 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.997 4.429 2.944 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.502 2.879 6.657 1.00 0.00 H ATOM 135 HH TYR A 8 0.631 4.358 6.369 1.00 0.00 H ATOM 136 N ASP A 9 2.486 0.486 -0.185 1.00 0.00 N ATOM 137 CA ASP A 9 1.725 1.112 -1.287 1.00 0.00 C ATOM 138 C ASP A 9 0.677 0.111 -1.762 1.00 0.00 C ATOM 139 O ASP A 9 -0.442 0.461 -2.081 1.00 0.00 O ATOM 140 CB ASP A 9 2.753 1.388 -2.381 1.00 0.00 C ATOM 141 CG ASP A 9 2.109 2.225 -3.487 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.221 3.000 -3.175 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.513 2.075 -4.628 1.00 0.00 O ATOM 144 H ASP A 9 3.355 0.080 -0.364 1.00 0.00 H ATOM 145 HA ASP A 9 1.270 2.026 -0.960 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.591 1.927 -1.962 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.096 0.452 -2.795 1.00 0.00 H ATOM 148 N LYS A 10 1.038 -1.147 -1.782 1.00 0.00 N ATOM 149 CA LYS A 10 0.073 -2.198 -2.202 1.00 0.00 C ATOM 150 C LYS A 10 -1.154 -2.122 -1.303 1.00 0.00 C ATOM 151 O LYS A 10 -2.265 -1.938 -1.765 1.00 0.00 O ATOM 152 CB LYS A 10 0.813 -3.518 -2.015 1.00 0.00 C ATOM 153 CG LYS A 10 0.323 -4.534 -3.052 1.00 0.00 C ATOM 154 CD LYS A 10 0.546 -3.983 -4.463 1.00 0.00 C ATOM 155 CE LYS A 10 1.611 -4.820 -5.176 1.00 0.00 C ATOM 156 NZ LYS A 10 2.838 -3.971 -5.184 1.00 0.00 N ATOM 157 H LYS A 10 1.940 -1.398 -1.501 1.00 0.00 H ATOM 158 HA LYS A 10 -0.202 -2.066 -3.230 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.872 -3.354 -2.144 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.623 -3.898 -1.025 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.872 -5.459 -2.935 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.731 -4.719 -2.903 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.379 -4.028 -5.018 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.880 -2.958 -4.402 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.791 -5.738 -4.632 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.305 -5.036 -6.189 1.00 0.00 H ATOM 167 HZ1 LYS A 10 3.657 -4.542 -4.901 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.720 -3.182 -4.515 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.995 -3.594 -6.140 1.00 0.00 H ATOM 170 N VAL A 11 -0.972 -2.233 -0.013 1.00 0.00 N ATOM 171 CA VAL A 11 -2.151 -2.118 0.882 1.00 0.00 C ATOM 172 C VAL A 11 -2.929 -0.872 0.462 1.00 0.00 C ATOM 173 O VAL A 11 -4.139 -0.880 0.379 1.00 0.00 O ATOM 174 CB VAL A 11 -1.604 -1.982 2.301 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.991 -3.315 2.731 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.536 -0.890 2.349 1.00 0.00 C ATOM 177 H VAL A 11 -0.070 -2.365 0.355 1.00 0.00 H ATOM 178 HA VAL A 11 -2.772 -2.997 0.799 1.00 0.00 H ATOM 179 HB VAL A 11 -2.411 -1.725 2.970 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.780 -4.025 2.931 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.400 -3.170 3.622 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.361 -3.693 1.938 1.00 0.00 H ATOM 183 HG21 VAL A 11 -1.013 0.078 2.391 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.079 -0.951 1.466 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.079 -1.026 3.224 1.00 0.00 H ATOM 186 N ALA A 12 -2.235 0.194 0.147 1.00 0.00 N ATOM 187 CA ALA A 12 -2.947 1.412 -0.323 1.00 0.00 C ATOM 188 C ALA A 12 -3.912 1.001 -1.422 1.00 0.00 C ATOM 189 O ALA A 12 -5.002 1.512 -1.522 1.00 0.00 O ATOM 190 CB ALA A 12 -1.871 2.343 -0.865 1.00 0.00 C ATOM 191 H ALA A 12 -1.253 0.179 0.191 1.00 0.00 H ATOM 192 HA ALA A 12 -3.478 1.885 0.476 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.931 2.121 -0.384 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.151 3.367 -0.660 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.777 2.200 -1.930 1.00 0.00 H ATOM 196 N GLU A 13 -3.528 0.049 -2.226 1.00 0.00 N ATOM 197 CA GLU A 13 -4.442 -0.429 -3.290 1.00 0.00 C ATOM 198 C GLU A 13 -5.710 -0.949 -2.615 1.00 0.00 C ATOM 199 O GLU A 13 -6.814 -0.773 -3.099 1.00 0.00 O ATOM 200 CB GLU A 13 -3.684 -1.560 -3.988 1.00 0.00 C ATOM 201 CG GLU A 13 -4.314 -1.843 -5.355 1.00 0.00 C ATOM 202 CD GLU A 13 -5.820 -2.037 -5.194 1.00 0.00 C ATOM 203 OE1 GLU A 13 -6.208 -2.861 -4.382 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.561 -1.356 -5.883 1.00 0.00 O ATOM 205 H GLU A 13 -2.651 -0.369 -2.109 1.00 0.00 H ATOM 206 HA GLU A 13 -4.667 0.360 -3.983 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.653 -1.266 -4.122 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.731 -2.450 -3.381 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.127 -1.010 -6.018 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.880 -2.740 -5.774 1.00 0.00 H ATOM 211 N LYS A 14 -5.556 -1.554 -1.466 1.00 0.00 N ATOM 212 CA LYS A 14 -6.731 -2.047 -0.730 1.00 0.00 C ATOM 213 C LYS A 14 -7.430 -0.845 -0.124 1.00 0.00 C ATOM 214 O LYS A 14 -8.610 -0.858 0.108 1.00 0.00 O ATOM 215 CB LYS A 14 -6.189 -2.974 0.359 1.00 0.00 C ATOM 216 CG LYS A 14 -6.072 -4.401 -0.182 1.00 0.00 C ATOM 217 CD LYS A 14 -7.440 -5.087 -0.127 1.00 0.00 C ATOM 218 CE LYS A 14 -7.260 -6.597 -0.295 1.00 0.00 C ATOM 219 NZ LYS A 14 -8.601 -7.103 -0.705 1.00 0.00 N ATOM 220 H LYS A 14 -4.669 -1.650 -1.076 1.00 0.00 H ATOM 221 HA LYS A 14 -7.388 -2.578 -1.386 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.215 -2.631 0.670 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.862 -2.967 1.202 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.724 -4.371 -1.205 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.370 -4.958 0.420 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.906 -4.882 0.825 1.00 0.00 H ATOM 227 HD3 LYS A 14 -8.064 -4.710 -0.924 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.526 -6.804 -1.062 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.965 -7.049 0.640 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -9.091 -7.494 0.123 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -8.486 -7.846 -1.425 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -9.162 -6.321 -1.100 1.00 0.00 H ATOM 233 N PHE A 15 -6.694 0.210 0.099 1.00 0.00 N ATOM 234 CA PHE A 15 -7.302 1.443 0.658 1.00 0.00 C ATOM 235 C PHE A 15 -8.264 2.013 -0.369 1.00 0.00 C ATOM 236 O PHE A 15 -9.329 2.502 -0.050 1.00 0.00 O ATOM 237 CB PHE A 15 -6.129 2.390 0.878 1.00 0.00 C ATOM 238 CG PHE A 15 -6.198 2.988 2.260 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.535 2.185 3.355 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.917 4.346 2.446 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.593 2.741 4.637 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.976 4.902 3.729 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.312 4.101 4.824 1.00 0.00 C ATOM 244 H PHE A 15 -5.741 0.197 -0.124 1.00 0.00 H ATOM 245 HA PHE A 15 -7.796 1.237 1.580 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.212 1.841 0.773 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.166 3.179 0.144 1.00 0.00 H ATOM 248 HD1 PHE A 15 -6.751 1.136 3.208 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.656 4.965 1.601 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.854 2.122 5.482 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.759 5.950 3.873 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.356 4.528 5.814 1.00 0.00 H ATOM 253 N LYS A 16 -7.888 1.930 -1.611 1.00 0.00 N ATOM 254 CA LYS A 16 -8.766 2.439 -2.694 1.00 0.00 C ATOM 255 C LYS A 16 -9.972 1.511 -2.820 1.00 0.00 C ATOM 256 O LYS A 16 -11.057 1.918 -3.184 1.00 0.00 O ATOM 257 CB LYS A 16 -7.905 2.403 -3.958 1.00 0.00 C ATOM 258 CG LYS A 16 -8.807 2.407 -5.196 1.00 0.00 C ATOM 259 CD LYS A 16 -7.953 2.598 -6.450 1.00 0.00 C ATOM 260 CE LYS A 16 -8.862 2.834 -7.658 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.087 3.744 -8.547 1.00 0.00 N ATOM 262 H LYS A 16 -7.028 1.514 -1.827 1.00 0.00 H ATOM 263 HA LYS A 16 -9.077 3.446 -2.481 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.262 3.271 -3.980 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.301 1.509 -3.959 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.333 1.464 -5.259 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.520 3.214 -5.120 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.303 3.450 -6.317 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.357 1.714 -6.619 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.067 1.898 -8.159 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.780 3.309 -7.352 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.144 3.341 -8.720 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.988 4.674 -8.089 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.585 3.852 -9.452 1.00 0.00 H ATOM 275 N GLU A 17 -9.780 0.264 -2.491 1.00 0.00 N ATOM 276 CA GLU A 17 -10.897 -0.711 -2.555 1.00 0.00 C ATOM 277 C GLU A 17 -11.502 -0.868 -1.154 1.00 0.00 C ATOM 278 O GLU A 17 -12.507 -1.523 -0.961 1.00 0.00 O ATOM 279 CB GLU A 17 -10.247 -2.014 -3.038 1.00 0.00 C ATOM 280 CG GLU A 17 -11.083 -3.219 -2.600 1.00 0.00 C ATOM 281 CD GLU A 17 -10.530 -3.769 -1.282 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.108 -2.971 -0.461 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.535 -4.978 -1.118 1.00 0.00 O ATOM 284 H GLU A 17 -8.899 -0.030 -2.183 1.00 0.00 H ATOM 285 HA GLU A 17 -11.639 -0.382 -3.256 1.00 0.00 H ATOM 286 HB2 GLU A 17 -10.177 -2.000 -4.116 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.256 -2.097 -2.617 1.00 0.00 H ATOM 288 HG2 GLU A 17 -12.111 -2.917 -2.464 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.033 -3.989 -3.357 1.00 0.00 H ATOM 290 N ALA A 18 -10.883 -0.262 -0.178 1.00 0.00 N ATOM 291 CA ALA A 18 -11.379 -0.347 1.214 1.00 0.00 C ATOM 292 C ALA A 18 -12.237 0.882 1.523 1.00 0.00 C ATOM 293 O ALA A 18 -13.030 0.888 2.444 1.00 0.00 O ATOM 294 CB ALA A 18 -10.106 -0.357 2.062 1.00 0.00 C ATOM 295 H ALA A 18 -10.078 0.254 -0.363 1.00 0.00 H ATOM 296 HA ALA A 18 -11.933 -1.252 1.361 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.406 0.363 1.662 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.659 -1.341 2.027 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.344 -0.102 3.081 1.00 0.00 H ATOM 300 N PHE A 19 -12.075 1.923 0.752 1.00 0.00 N ATOM 301 CA PHE A 19 -12.869 3.162 0.976 1.00 0.00 C ATOM 302 C PHE A 19 -14.292 2.989 0.436 1.00 0.00 C ATOM 303 O PHE A 19 -15.149 2.441 1.101 1.00 0.00 O ATOM 304 CB PHE A 19 -12.129 4.250 0.194 1.00 0.00 C ATOM 305 CG PHE A 19 -10.974 4.786 1.014 1.00 0.00 C ATOM 306 CD1 PHE A 19 -10.518 4.085 2.139 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.359 5.990 0.646 1.00 0.00 C ATOM 308 CE1 PHE A 19 -9.449 4.586 2.891 1.00 0.00 C ATOM 309 CE2 PHE A 19 -9.290 6.490 1.398 1.00 0.00 C ATOM 310 CZ PHE A 19 -8.835 5.789 2.521 1.00 0.00 C ATOM 311 H PHE A 19 -11.428 1.889 0.024 1.00 0.00 H ATOM 312 HA PHE A 19 -12.884 3.411 2.018 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.750 3.834 -0.727 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.813 5.056 -0.028 1.00 0.00 H ATOM 315 HD1 PHE A 19 -10.991 3.158 2.423 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.710 6.532 -0.221 1.00 0.00 H ATOM 317 HE1 PHE A 19 -9.097 4.045 3.757 1.00 0.00 H ATOM 318 HE2 PHE A 19 -8.816 7.418 1.112 1.00 0.00 H ATOM 319 HZ PHE A 19 -8.011 6.176 3.102 1.00 0.00 H HETATM 320 N NH2 A 20 -14.582 3.438 -0.755 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -15.489 3.332 -1.112 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.893 3.881 -1.293 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 14 HETATM 1 C ACE A 1 12.293 -0.641 -0.614 1.00 0.00 C HETATM 2 O ACE A 1 11.291 0.037 -0.498 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.394 -0.613 0.432 1.00 0.00 C HETATM 4 H1 ACE A 1 12.966 -0.823 1.400 1.00 0.00 H HETATM 5 H2 ACE A 1 13.854 0.359 0.442 1.00 0.00 H HETATM 6 H3 ACE A 1 14.132 -1.364 0.191 1.00 0.00 H ATOM 7 N ASP A 2 12.448 -1.458 -1.609 1.00 0.00 N ATOM 8 CA ASP A 2 11.392 -1.572 -2.625 1.00 0.00 C ATOM 9 C ASP A 2 10.266 -2.304 -1.942 1.00 0.00 C ATOM 10 O ASP A 2 9.108 -2.022 -2.134 1.00 0.00 O ATOM 11 CB ASP A 2 11.998 -2.401 -3.753 1.00 0.00 C ATOM 12 CG ASP A 2 13.193 -1.654 -4.345 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.070 -1.282 -3.583 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.210 -1.465 -5.549 1.00 0.00 O ATOM 15 H ASP A 2 13.230 -2.026 -1.658 1.00 0.00 H ATOM 16 HA ASP A 2 11.084 -0.604 -2.975 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.323 -3.354 -3.363 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.257 -2.560 -4.522 1.00 0.00 H ATOM 19 N TRP A 3 10.643 -3.218 -1.092 1.00 0.00 N ATOM 20 CA TRP A 3 9.662 -3.988 -0.302 1.00 0.00 C ATOM 21 C TRP A 3 8.917 -3.019 0.621 1.00 0.00 C ATOM 22 O TRP A 3 7.845 -3.304 1.106 1.00 0.00 O ATOM 23 CB TRP A 3 10.527 -4.943 0.525 1.00 0.00 C ATOM 24 CG TRP A 3 11.475 -4.098 1.300 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.104 -3.255 2.280 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.921 -3.979 1.179 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.198 -2.564 2.713 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.359 -2.996 2.098 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.883 -4.606 0.368 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.705 -2.645 2.208 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.240 -4.261 0.481 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.650 -3.282 1.399 1.00 0.00 C ATOM 33 H TRP A 3 11.597 -3.375 -0.949 1.00 0.00 H ATOM 34 HA TRP A 3 9.002 -4.527 -0.934 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.906 -5.518 1.198 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.078 -5.603 -0.127 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.091 -3.096 2.620 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.169 -1.867 3.386 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.578 -5.360 -0.341 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.014 -1.888 2.916 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.972 -4.750 -0.143 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.693 -3.021 1.480 1.00 0.00 H ATOM 43 N PHE A 4 9.519 -1.878 0.876 1.00 0.00 N ATOM 44 CA PHE A 4 8.911 -0.865 1.777 1.00 0.00 C ATOM 45 C PHE A 4 7.860 -0.116 0.991 1.00 0.00 C ATOM 46 O PHE A 4 6.684 -0.144 1.299 1.00 0.00 O ATOM 47 CB PHE A 4 10.073 0.053 2.160 1.00 0.00 C ATOM 48 CG PHE A 4 9.680 0.941 3.315 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.793 2.004 3.112 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.213 0.708 4.589 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.437 2.832 4.183 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.854 1.535 5.661 1.00 0.00 C ATOM 53 CZ PHE A 4 8.968 2.598 5.457 1.00 0.00 C ATOM 54 H PHE A 4 10.390 -1.695 0.479 1.00 0.00 H ATOM 55 HA PHE A 4 8.498 -1.331 2.646 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.921 -0.551 2.447 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.339 0.664 1.312 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.383 2.185 2.130 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.897 -0.113 4.747 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.753 3.653 4.026 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.265 1.355 6.643 1.00 0.00 H ATOM 62 HZ PHE A 4 8.692 3.237 6.282 1.00 0.00 H ATOM 63 N LYS A 5 8.276 0.506 -0.067 1.00 0.00 N ATOM 64 CA LYS A 5 7.307 1.206 -0.930 1.00 0.00 C ATOM 65 C LYS A 5 6.443 0.133 -1.599 1.00 0.00 C ATOM 66 O LYS A 5 5.434 0.421 -2.209 1.00 0.00 O ATOM 67 CB LYS A 5 8.162 1.974 -1.952 1.00 0.00 C ATOM 68 CG LYS A 5 7.470 2.000 -3.321 1.00 0.00 C ATOM 69 CD LYS A 5 8.321 2.802 -4.309 1.00 0.00 C ATOM 70 CE LYS A 5 7.436 3.809 -5.047 1.00 0.00 C ATOM 71 NZ LYS A 5 6.795 3.037 -6.152 1.00 0.00 N ATOM 72 H LYS A 5 9.221 0.472 -0.315 1.00 0.00 H ATOM 73 HA LYS A 5 6.705 1.883 -0.352 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.306 2.986 -1.605 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.123 1.491 -2.048 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.353 0.989 -3.684 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.500 2.463 -3.225 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.097 3.329 -3.770 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.773 2.131 -5.024 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.684 4.206 -4.379 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.035 4.607 -5.455 1.00 0.00 H ATOM 82 HZ1 LYS A 5 5.783 3.266 -6.194 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.913 2.016 -5.980 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.243 3.289 -7.056 1.00 0.00 H ATOM 85 N ALA A 6 6.843 -1.114 -1.478 1.00 0.00 N ATOM 86 CA ALA A 6 6.056 -2.212 -2.100 1.00 0.00 C ATOM 87 C ALA A 6 4.856 -2.560 -1.228 1.00 0.00 C ATOM 88 O ALA A 6 3.768 -2.775 -1.717 1.00 0.00 O ATOM 89 CB ALA A 6 7.022 -3.384 -2.185 1.00 0.00 C ATOM 90 H ALA A 6 7.664 -1.328 -0.975 1.00 0.00 H ATOM 91 HA ALA A 6 5.737 -1.934 -3.081 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.613 -3.422 -1.284 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.676 -3.246 -3.035 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.471 -4.303 -2.300 1.00 0.00 H ATOM 95 N PHE A 7 5.033 -2.608 0.061 1.00 0.00 N ATOM 96 CA PHE A 7 3.886 -2.931 0.942 1.00 0.00 C ATOM 97 C PHE A 7 2.980 -1.704 1.057 1.00 0.00 C ATOM 98 O PHE A 7 1.768 -1.813 1.087 1.00 0.00 O ATOM 99 CB PHE A 7 4.499 -3.325 2.293 1.00 0.00 C ATOM 100 CG PHE A 7 4.931 -2.095 3.063 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.968 -1.251 3.625 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.292 -1.803 3.223 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.360 -0.115 4.343 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.684 -0.665 3.943 1.00 0.00 C ATOM 105 CZ PHE A 7 5.718 0.178 4.501 1.00 0.00 C ATOM 106 H PHE A 7 5.908 -2.426 0.445 1.00 0.00 H ATOM 107 HA PHE A 7 3.338 -3.760 0.533 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.765 -3.866 2.871 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.356 -3.959 2.124 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.924 -1.476 3.504 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.041 -2.452 2.794 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.613 0.535 4.773 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.733 -0.439 4.067 1.00 0.00 H ATOM 114 HZ PHE A 7 6.021 1.054 5.055 1.00 0.00 H ATOM 115 N TYR A 8 3.559 -0.534 1.098 1.00 0.00 N ATOM 116 CA TYR A 8 2.737 0.703 1.185 1.00 0.00 C ATOM 117 C TYR A 8 1.953 0.877 -0.118 1.00 0.00 C ATOM 118 O TYR A 8 0.893 1.469 -0.145 1.00 0.00 O ATOM 119 CB TYR A 8 3.746 1.844 1.382 1.00 0.00 C ATOM 120 CG TYR A 8 3.206 3.126 0.785 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.086 3.749 1.349 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.823 3.684 -0.340 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.583 4.929 0.787 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.322 4.864 -0.901 1.00 0.00 C ATOM 125 CZ TYR A 8 2.202 5.488 -0.338 1.00 0.00 C ATOM 126 OH TYR A 8 1.704 6.649 -0.894 1.00 0.00 O ATOM 127 H TYR A 8 4.533 -0.469 1.056 1.00 0.00 H ATOM 128 HA TYR A 8 2.069 0.649 2.027 1.00 0.00 H ATOM 129 HB2 TYR A 8 3.922 1.988 2.438 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.675 1.588 0.896 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.609 3.319 2.218 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.686 3.203 -0.775 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.719 5.409 1.222 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.801 5.293 -1.770 1.00 0.00 H ATOM 135 HH TYR A 8 2.431 7.112 -1.317 1.00 0.00 H ATOM 136 N ASP A 9 2.476 0.366 -1.198 1.00 0.00 N ATOM 137 CA ASP A 9 1.775 0.494 -2.503 1.00 0.00 C ATOM 138 C ASP A 9 0.566 -0.438 -2.535 1.00 0.00 C ATOM 139 O ASP A 9 -0.562 -0.014 -2.691 1.00 0.00 O ATOM 140 CB ASP A 9 2.807 0.062 -3.542 1.00 0.00 C ATOM 141 CG ASP A 9 2.264 0.320 -4.948 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.056 0.402 -5.089 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.067 0.430 -5.861 1.00 0.00 O ATOM 144 H ASP A 9 3.331 -0.103 -1.152 1.00 0.00 H ATOM 145 HA ASP A 9 1.480 1.512 -2.676 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.716 0.625 -3.397 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.012 -0.991 -3.427 1.00 0.00 H ATOM 148 N LYS A 10 0.802 -1.711 -2.388 1.00 0.00 N ATOM 149 CA LYS A 10 -0.321 -2.690 -2.408 1.00 0.00 C ATOM 150 C LYS A 10 -1.414 -2.295 -1.411 1.00 0.00 C ATOM 151 O LYS A 10 -2.587 -2.293 -1.730 1.00 0.00 O ATOM 152 CB LYS A 10 0.311 -4.014 -1.994 1.00 0.00 C ATOM 153 CG LYS A 10 0.377 -4.950 -3.201 1.00 0.00 C ATOM 154 CD LYS A 10 1.439 -4.449 -4.180 1.00 0.00 C ATOM 155 CE LYS A 10 0.780 -4.125 -5.521 1.00 0.00 C ATOM 156 NZ LYS A 10 0.885 -2.645 -5.654 1.00 0.00 N ATOM 157 H LYS A 10 1.724 -2.024 -2.268 1.00 0.00 H ATOM 158 HA LYS A 10 -0.727 -2.779 -3.398 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.308 -3.836 -1.621 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.288 -4.469 -1.222 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.630 -5.947 -2.870 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.584 -4.967 -3.693 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.906 -3.559 -3.780 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.186 -5.214 -4.322 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.307 -4.618 -6.327 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.257 -4.423 -5.512 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.958 -2.217 -4.709 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.040 -2.281 -6.138 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.732 -2.405 -6.207 1.00 0.00 H ATOM 170 N VAL A 11 -1.046 -1.987 -0.197 1.00 0.00 N ATOM 171 CA VAL A 11 -2.074 -1.623 0.821 1.00 0.00 C ATOM 172 C VAL A 11 -2.791 -0.322 0.460 1.00 0.00 C ATOM 173 O VAL A 11 -3.995 -0.217 0.575 1.00 0.00 O ATOM 174 CB VAL A 11 -1.300 -1.450 2.127 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.565 -2.746 2.467 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.286 -0.314 1.975 1.00 0.00 C ATOM 177 H VAL A 11 -0.099 -2.013 0.053 1.00 0.00 H ATOM 178 HA VAL A 11 -2.785 -2.420 0.922 1.00 0.00 H ATOM 179 HB VAL A 11 -1.991 -1.209 2.920 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.116 -3.150 1.571 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.264 -3.461 2.874 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.207 -2.542 3.195 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.794 0.636 2.053 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.196 -0.387 1.010 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.457 -0.390 2.754 1.00 0.00 H ATOM 186 N ALA A 12 -2.064 0.675 0.053 1.00 0.00 N ATOM 187 CA ALA A 12 -2.709 1.975 -0.282 1.00 0.00 C ATOM 188 C ALA A 12 -3.705 1.829 -1.426 1.00 0.00 C ATOM 189 O ALA A 12 -4.658 2.576 -1.520 1.00 0.00 O ATOM 190 CB ALA A 12 -1.569 2.902 -0.676 1.00 0.00 C ATOM 191 H ALA A 12 -1.095 0.579 -0.013 1.00 0.00 H ATOM 192 HA ALA A 12 -3.206 2.365 0.577 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.933 3.068 0.180 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.976 3.844 -1.012 1.00 0.00 H ATOM 195 HB3 ALA A 12 -0.997 2.449 -1.469 1.00 0.00 H ATOM 196 N GLU A 13 -3.517 0.877 -2.286 1.00 0.00 N ATOM 197 CA GLU A 13 -4.488 0.712 -3.393 1.00 0.00 C ATOM 198 C GLU A 13 -5.700 -0.047 -2.869 1.00 0.00 C ATOM 199 O GLU A 13 -6.820 0.133 -3.317 1.00 0.00 O ATOM 200 CB GLU A 13 -3.759 -0.092 -4.463 1.00 0.00 C ATOM 201 CG GLU A 13 -3.555 0.778 -5.704 1.00 0.00 C ATOM 202 CD GLU A 13 -2.071 0.802 -6.071 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.257 0.810 -5.162 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.773 0.810 -7.254 1.00 0.00 O ATOM 205 H GLU A 13 -2.757 0.269 -2.196 1.00 0.00 H ATOM 206 HA GLU A 13 -4.774 1.666 -3.782 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.800 -0.408 -4.081 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.349 -0.956 -4.724 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.125 0.370 -6.527 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.890 1.784 -5.497 1.00 0.00 H ATOM 211 N LYS A 14 -5.486 -0.875 -1.889 1.00 0.00 N ATOM 212 CA LYS A 14 -6.604 -1.630 -1.309 1.00 0.00 C ATOM 213 C LYS A 14 -7.236 -0.791 -0.221 1.00 0.00 C ATOM 214 O LYS A 14 -8.351 -1.003 0.176 1.00 0.00 O ATOM 215 CB LYS A 14 -5.985 -2.905 -0.744 1.00 0.00 C ATOM 216 CG LYS A 14 -6.787 -4.116 -1.218 1.00 0.00 C ATOM 217 CD LYS A 14 -6.926 -4.074 -2.743 1.00 0.00 C ATOM 218 CE LYS A 14 -6.225 -5.288 -3.360 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.327 -6.178 -3.818 1.00 0.00 N ATOM 220 H LYS A 14 -4.592 -0.978 -1.519 1.00 0.00 H ATOM 221 HA LYS A 14 -7.319 -1.864 -2.064 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.965 -2.988 -1.089 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.002 -2.862 0.334 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.275 -5.023 -0.926 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.768 -4.095 -0.769 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.973 -4.090 -3.007 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.472 -3.171 -3.121 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.612 -4.983 -4.197 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.625 -5.794 -2.619 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.523 -5.999 -4.824 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -8.183 -5.987 -3.257 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.047 -7.172 -3.695 1.00 0.00 H ATOM 233 N PHE A 15 -6.538 0.189 0.251 1.00 0.00 N ATOM 234 CA PHE A 15 -7.125 1.052 1.288 1.00 0.00 C ATOM 235 C PHE A 15 -8.091 2.021 0.622 1.00 0.00 C ATOM 236 O PHE A 15 -9.128 2.357 1.156 1.00 0.00 O ATOM 237 CB PHE A 15 -5.941 1.788 1.908 1.00 0.00 C ATOM 238 CG PHE A 15 -6.118 1.880 3.404 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.950 2.863 3.952 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.445 0.984 4.243 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.109 2.950 5.341 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.603 1.072 5.631 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.435 2.055 6.181 1.00 0.00 C ATOM 244 H PHE A 15 -5.641 0.370 -0.090 1.00 0.00 H ATOM 245 HA PHE A 15 -7.626 0.462 2.020 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.034 1.247 1.688 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.879 2.781 1.493 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.470 3.554 3.305 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.804 0.226 3.819 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.750 3.709 5.765 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.083 0.381 6.278 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.557 2.123 7.252 1.00 0.00 H ATOM 253 N LYS A 16 -7.764 2.453 -0.561 1.00 0.00 N ATOM 254 CA LYS A 16 -8.664 3.391 -1.273 1.00 0.00 C ATOM 255 C LYS A 16 -9.769 2.618 -1.981 1.00 0.00 C ATOM 256 O LYS A 16 -10.809 3.159 -2.300 1.00 0.00 O ATOM 257 CB LYS A 16 -7.779 4.128 -2.280 1.00 0.00 C ATOM 258 CG LYS A 16 -6.559 4.710 -1.561 1.00 0.00 C ATOM 259 CD LYS A 16 -6.894 6.100 -1.017 1.00 0.00 C ATOM 260 CE LYS A 16 -5.956 7.134 -1.646 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.853 8.106 -2.332 1.00 0.00 N ATOM 262 H LYS A 16 -6.936 2.149 -0.984 1.00 0.00 H ATOM 263 HA LYS A 16 -9.085 4.087 -0.574 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.453 3.440 -3.047 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.343 4.930 -2.733 1.00 0.00 H ATOM 266 HG2 LYS A 16 -6.280 4.061 -0.744 1.00 0.00 H ATOM 267 HG3 LYS A 16 -5.737 4.787 -2.255 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.919 6.345 -1.259 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.765 6.108 0.056 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.377 7.629 -0.878 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.304 6.662 -2.364 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.954 7.838 -3.331 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.442 9.060 -2.268 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.788 8.100 -1.877 1.00 0.00 H ATOM 275 N GLU A 17 -9.564 1.352 -2.226 1.00 0.00 N ATOM 276 CA GLU A 17 -10.624 0.568 -2.905 1.00 0.00 C ATOM 277 C GLU A 17 -11.405 -0.260 -1.889 1.00 0.00 C ATOM 278 O GLU A 17 -12.617 -0.332 -1.927 1.00 0.00 O ATOM 279 CB GLU A 17 -9.896 -0.334 -3.898 1.00 0.00 C ATOM 280 CG GLU A 17 -10.611 -0.279 -5.249 1.00 0.00 C ATOM 281 CD GLU A 17 -10.652 1.168 -5.744 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.623 1.652 -6.188 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.712 1.768 -5.672 1.00 0.00 O ATOM 284 H GLU A 17 -8.723 0.922 -1.958 1.00 0.00 H ATOM 285 HA GLU A 17 -11.279 1.225 -3.425 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.878 0.005 -4.012 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.901 -1.349 -3.532 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.080 -0.891 -5.965 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.620 -0.647 -5.139 1.00 0.00 H ATOM 290 N ALA A 18 -10.717 -0.891 -0.988 1.00 0.00 N ATOM 291 CA ALA A 18 -11.405 -1.722 0.030 1.00 0.00 C ATOM 292 C ALA A 18 -12.261 -0.852 0.952 1.00 0.00 C ATOM 293 O ALA A 18 -13.234 -1.315 1.514 1.00 0.00 O ATOM 294 CB ALA A 18 -10.283 -2.401 0.815 1.00 0.00 C ATOM 295 H ALA A 18 -9.743 -0.822 -0.986 1.00 0.00 H ATOM 296 HA ALA A 18 -12.015 -2.467 -0.452 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.680 -3.235 1.370 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.839 -1.689 1.497 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.526 -2.753 0.127 1.00 0.00 H ATOM 300 N PHE A 19 -11.924 0.404 1.127 1.00 0.00 N ATOM 301 CA PHE A 19 -12.757 1.249 2.026 1.00 0.00 C ATOM 302 C PHE A 19 -13.734 2.102 1.213 1.00 0.00 C ATOM 303 O PHE A 19 -14.368 2.996 1.739 1.00 0.00 O ATOM 304 CB PHE A 19 -11.778 2.132 2.792 1.00 0.00 C ATOM 305 CG PHE A 19 -11.450 1.485 4.118 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.386 1.513 5.158 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.213 0.855 4.306 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.085 0.913 6.387 1.00 0.00 C ATOM 309 CE2 PHE A 19 -9.914 0.255 5.535 1.00 0.00 C ATOM 310 CZ PHE A 19 -10.849 0.285 6.575 1.00 0.00 C ATOM 311 H PHE A 19 -11.136 0.786 0.674 1.00 0.00 H ATOM 312 HA PHE A 19 -13.292 0.627 2.712 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.878 2.251 2.217 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.228 3.096 2.967 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.339 1.999 5.014 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.491 0.833 3.503 1.00 0.00 H ATOM 317 HE1 PHE A 19 -12.808 0.935 7.190 1.00 0.00 H ATOM 318 HE2 PHE A 19 -8.960 -0.230 5.680 1.00 0.00 H ATOM 319 HZ PHE A 19 -10.617 -0.179 7.523 1.00 0.00 H HETATM 320 N NH2 A 20 -13.892 1.860 -0.061 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.519 2.397 -0.587 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.383 1.140 -0.490 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 15 HETATM 1 C ACE A 1 12.312 -1.667 -0.350 1.00 0.00 C HETATM 2 O ACE A 1 11.364 -0.984 -0.007 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.311 -2.202 0.664 1.00 0.00 C HETATM 4 H1 ACE A 1 13.828 -3.051 0.239 1.00 0.00 H HETATM 5 H2 ACE A 1 12.784 -2.508 1.556 1.00 0.00 H HETATM 6 H3 ACE A 1 14.021 -1.430 0.910 1.00 0.00 H ATOM 7 N ASP A 2 12.486 -2.005 -1.595 1.00 0.00 N ATOM 8 CA ASP A 2 11.524 -1.551 -2.605 1.00 0.00 C ATOM 9 C ASP A 2 10.216 -2.218 -2.250 1.00 0.00 C ATOM 10 O ASP A 2 9.158 -1.664 -2.416 1.00 0.00 O ATOM 11 CB ASP A 2 12.069 -2.041 -3.946 1.00 0.00 C ATOM 12 CG ASP A 2 13.451 -1.427 -4.182 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.027 -0.929 -3.228 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.909 -1.461 -5.312 1.00 0.00 O ATOM 15 H ASP A 2 13.220 -2.582 -1.849 1.00 0.00 H ATOM 16 HA ASP A 2 11.430 -0.480 -2.595 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.149 -3.117 -3.933 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.403 -1.736 -4.738 1.00 0.00 H ATOM 19 N TRP A 3 10.316 -3.404 -1.703 1.00 0.00 N ATOM 20 CA TRP A 3 9.111 -4.143 -1.260 1.00 0.00 C ATOM 21 C TRP A 3 8.469 -3.374 -0.099 1.00 0.00 C ATOM 22 O TRP A 3 7.315 -3.567 0.231 1.00 0.00 O ATOM 23 CB TRP A 3 9.632 -5.500 -0.776 1.00 0.00 C ATOM 24 CG TRP A 3 10.713 -5.233 0.204 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.531 -4.586 1.367 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.125 -5.572 0.135 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.738 -4.436 1.989 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.759 -5.053 1.288 1.00 0.00 C ATOM 29 CE3 TRP A 3 12.910 -6.257 -0.806 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.131 -5.210 1.500 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.289 -6.423 -0.595 1.00 0.00 C ATOM 32 CH2 TRP A 3 14.898 -5.901 0.555 1.00 0.00 C ATOM 33 H TRP A 3 11.200 -3.792 -1.554 1.00 0.00 H ATOM 34 HA TRP A 3 8.433 -4.272 -2.071 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.833 -6.052 -0.302 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.027 -6.063 -1.609 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.592 -4.202 1.732 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.864 -3.966 2.827 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.449 -6.664 -1.694 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.596 -4.805 2.388 1.00 0.00 H ATOM 41 HZ3 TRP A 3 14.882 -6.957 -1.322 1.00 0.00 H ATOM 42 HH2 TRP A 3 15.959 -6.033 0.711 1.00 0.00 H ATOM 43 N PHE A 4 9.226 -2.504 0.530 1.00 0.00 N ATOM 44 CA PHE A 4 8.692 -1.727 1.676 1.00 0.00 C ATOM 45 C PHE A 4 7.864 -0.589 1.128 1.00 0.00 C ATOM 46 O PHE A 4 6.662 -0.534 1.302 1.00 0.00 O ATOM 47 CB PHE A 4 9.922 -1.200 2.412 1.00 0.00 C ATOM 48 CG PHE A 4 9.497 -0.578 3.719 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.519 -1.198 4.506 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.080 0.621 4.146 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.126 -0.621 5.719 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.687 1.200 5.358 1.00 0.00 C ATOM 53 CZ PHE A 4 8.710 0.578 6.146 1.00 0.00 C ATOM 54 H PHE A 4 10.150 -2.366 0.248 1.00 0.00 H ATOM 55 HA PHE A 4 8.110 -2.355 2.321 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.600 -2.018 2.606 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.413 -0.458 1.804 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.069 -2.124 4.178 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.834 1.101 3.539 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.371 -1.101 6.327 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.137 2.124 5.688 1.00 0.00 H ATOM 62 HZ PHE A 4 8.405 1.025 7.082 1.00 0.00 H ATOM 63 N LYS A 5 8.489 0.288 0.405 1.00 0.00 N ATOM 64 CA LYS A 5 7.712 1.375 -0.216 1.00 0.00 C ATOM 65 C LYS A 5 6.719 0.710 -1.160 1.00 0.00 C ATOM 66 O LYS A 5 5.724 1.289 -1.554 1.00 0.00 O ATOM 67 CB LYS A 5 8.718 2.230 -0.982 1.00 0.00 C ATOM 68 CG LYS A 5 9.302 3.296 -0.051 1.00 0.00 C ATOM 69 CD LYS A 5 10.811 3.080 0.096 1.00 0.00 C ATOM 70 CE LYS A 5 11.563 4.202 -0.624 1.00 0.00 C ATOM 71 NZ LYS A 5 10.906 4.313 -1.954 1.00 0.00 N ATOM 72 H LYS A 5 9.451 0.192 0.233 1.00 0.00 H ATOM 73 HA LYS A 5 7.201 1.957 0.527 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.511 1.601 -1.355 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.219 2.712 -1.808 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.117 4.277 -0.467 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.835 3.223 0.919 1.00 0.00 H ATOM 78 HD2 LYS A 5 11.075 3.085 1.144 1.00 0.00 H ATOM 79 HD3 LYS A 5 11.083 2.131 -0.340 1.00 0.00 H ATOM 80 HE2 LYS A 5 11.469 5.130 -0.076 1.00 0.00 H ATOM 81 HE3 LYS A 5 12.603 3.941 -0.746 1.00 0.00 H ATOM 82 HZ1 LYS A 5 11.614 4.569 -2.671 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.166 5.044 -1.916 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.477 3.399 -2.206 1.00 0.00 H ATOM 85 N ALA A 6 6.978 -0.534 -1.497 1.00 0.00 N ATOM 86 CA ALA A 6 6.046 -1.269 -2.388 1.00 0.00 C ATOM 87 C ALA A 6 4.860 -1.759 -1.564 1.00 0.00 C ATOM 88 O ALA A 6 3.819 -2.094 -2.090 1.00 0.00 O ATOM 89 CB ALA A 6 6.856 -2.432 -2.929 1.00 0.00 C ATOM 90 H ALA A 6 7.780 -0.995 -1.142 1.00 0.00 H ATOM 91 HA ALA A 6 5.721 -0.642 -3.190 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.483 -2.088 -3.742 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.195 -3.205 -3.281 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.474 -2.817 -2.142 1.00 0.00 H ATOM 95 N PHE A 7 5.014 -1.784 -0.266 1.00 0.00 N ATOM 96 CA PHE A 7 3.902 -2.222 0.612 1.00 0.00 C ATOM 97 C PHE A 7 3.000 -1.026 0.893 1.00 0.00 C ATOM 98 O PHE A 7 1.817 -1.045 0.618 1.00 0.00 O ATOM 99 CB PHE A 7 4.563 -2.708 1.901 1.00 0.00 C ATOM 100 CG PHE A 7 4.907 -4.173 1.780 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.995 -5.062 1.199 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.139 -4.641 2.250 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.316 -6.419 1.088 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.460 -6.000 2.140 1.00 0.00 C ATOM 105 CZ PHE A 7 5.548 -6.889 1.558 1.00 0.00 C ATOM 106 H PHE A 7 5.857 -1.500 0.131 1.00 0.00 H ATOM 107 HA PHE A 7 3.353 -3.011 0.151 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.463 -2.141 2.075 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.882 -2.567 2.726 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.044 -4.701 0.839 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.843 -3.955 2.699 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.612 -7.104 0.640 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.412 -6.362 2.502 1.00 0.00 H ATOM 114 HZ PHE A 7 5.795 -7.937 1.472 1.00 0.00 H ATOM 115 N TYR A 8 3.561 0.029 1.421 1.00 0.00 N ATOM 116 CA TYR A 8 2.744 1.239 1.695 1.00 0.00 C ATOM 117 C TYR A 8 1.940 1.576 0.443 1.00 0.00 C ATOM 118 O TYR A 8 0.808 2.012 0.514 1.00 0.00 O ATOM 119 CB TYR A 8 3.759 2.337 2.006 1.00 0.00 C ATOM 120 CG TYR A 8 3.041 3.590 2.451 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.296 4.338 1.531 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.127 4.004 3.785 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.637 5.503 1.947 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.468 5.166 4.200 1.00 0.00 C ATOM 125 CZ TYR A 8 1.724 5.915 3.282 1.00 0.00 C ATOM 126 OH TYR A 8 1.077 7.061 3.694 1.00 0.00 O ATOM 127 H TYR A 8 4.522 0.028 1.617 1.00 0.00 H ATOM 128 HA TYR A 8 2.095 1.079 2.537 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.415 2.001 2.793 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.338 2.552 1.121 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.230 4.019 0.501 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.700 3.425 4.494 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.063 6.082 1.239 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.534 5.486 5.229 1.00 0.00 H ATOM 135 HH TYR A 8 1.161 7.121 4.650 1.00 0.00 H ATOM 136 N ASP A 9 2.515 1.355 -0.708 1.00 0.00 N ATOM 137 CA ASP A 9 1.778 1.640 -1.966 1.00 0.00 C ATOM 138 C ASP A 9 0.750 0.535 -2.212 1.00 0.00 C ATOM 139 O ASP A 9 -0.365 0.783 -2.635 1.00 0.00 O ATOM 140 CB ASP A 9 2.837 1.643 -3.066 1.00 0.00 C ATOM 141 CG ASP A 9 2.283 2.349 -4.305 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.943 3.517 -4.196 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.206 1.712 -5.342 1.00 0.00 O ATOM 144 H ASP A 9 3.426 0.987 -0.743 1.00 0.00 H ATOM 145 HA ASP A 9 1.303 2.600 -1.910 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.716 2.163 -2.715 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.094 0.626 -3.318 1.00 0.00 H ATOM 148 N LYS A 10 1.118 -0.686 -1.941 1.00 0.00 N ATOM 149 CA LYS A 10 0.175 -1.820 -2.146 1.00 0.00 C ATOM 150 C LYS A 10 -1.077 -1.617 -1.291 1.00 0.00 C ATOM 151 O LYS A 10 -2.183 -1.547 -1.794 1.00 0.00 O ATOM 152 CB LYS A 10 0.940 -3.064 -1.694 1.00 0.00 C ATOM 153 CG LYS A 10 0.000 -4.270 -1.707 1.00 0.00 C ATOM 154 CD LYS A 10 0.157 -5.056 -0.404 1.00 0.00 C ATOM 155 CE LYS A 10 1.321 -6.039 -0.539 1.00 0.00 C ATOM 156 NZ LYS A 10 0.717 -7.267 -1.127 1.00 0.00 N ATOM 157 H LYS A 10 2.018 -0.859 -1.597 1.00 0.00 H ATOM 158 HA LYS A 10 -0.086 -1.904 -3.187 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.767 -3.243 -2.368 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.317 -2.913 -0.693 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.021 -3.929 -1.802 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.245 -4.909 -2.541 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.354 -4.373 0.409 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.751 -5.604 -0.203 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.077 -5.636 -1.199 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.741 -6.261 0.428 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.471 -7.933 -1.390 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.168 -7.012 -1.974 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.090 -7.715 -0.430 1.00 0.00 H ATOM 170 N VAL A 11 -0.916 -1.513 -0.001 1.00 0.00 N ATOM 171 CA VAL A 11 -2.105 -1.307 0.869 1.00 0.00 C ATOM 172 C VAL A 11 -2.934 -0.144 0.328 1.00 0.00 C ATOM 173 O VAL A 11 -4.142 -0.225 0.236 1.00 0.00 O ATOM 174 CB VAL A 11 -1.548 -0.984 2.257 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.866 -2.226 2.836 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.532 0.155 2.152 1.00 0.00 C ATOM 177 H VAL A 11 -0.019 -1.566 0.391 1.00 0.00 H ATOM 178 HA VAL A 11 -2.700 -2.203 0.907 1.00 0.00 H ATOM 179 HB VAL A 11 -2.359 -0.685 2.907 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.493 -3.091 2.674 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.711 -2.090 3.896 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.086 -2.377 2.350 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.061 0.133 1.180 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.219 0.039 2.918 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.036 1.101 2.284 1.00 0.00 H ATOM 186 N ALA A 12 -2.297 0.932 -0.048 1.00 0.00 N ATOM 187 CA ALA A 12 -3.065 2.082 -0.600 1.00 0.00 C ATOM 188 C ALA A 12 -4.019 1.584 -1.673 1.00 0.00 C ATOM 189 O ALA A 12 -5.131 2.052 -1.789 1.00 0.00 O ATOM 190 CB ALA A 12 -2.026 3.024 -1.190 1.00 0.00 C ATOM 191 H ALA A 12 -1.320 0.977 0.021 1.00 0.00 H ATOM 192 HA ALA A 12 -3.612 2.577 0.175 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.058 3.965 -0.662 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.244 3.188 -2.234 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.046 2.585 -1.089 1.00 0.00 H ATOM 196 N GLU A 13 -3.612 0.615 -2.441 1.00 0.00 N ATOM 197 CA GLU A 13 -4.531 0.080 -3.472 1.00 0.00 C ATOM 198 C GLU A 13 -5.710 -0.572 -2.757 1.00 0.00 C ATOM 199 O GLU A 13 -6.840 -0.534 -3.209 1.00 0.00 O ATOM 200 CB GLU A 13 -3.717 -0.951 -4.244 1.00 0.00 C ATOM 201 CG GLU A 13 -4.020 -0.826 -5.736 1.00 0.00 C ATOM 202 CD GLU A 13 -2.891 -1.470 -6.543 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.334 -2.446 -6.069 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.603 -0.977 -7.620 1.00 0.00 O ATOM 205 H GLU A 13 -2.720 0.230 -2.324 1.00 0.00 H ATOM 206 HA GLU A 13 -4.861 0.862 -4.125 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.666 -0.775 -4.073 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.979 -1.942 -3.906 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.952 -1.324 -5.958 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.098 0.218 -6.002 1.00 0.00 H ATOM 211 N LYS A 14 -5.449 -1.147 -1.613 1.00 0.00 N ATOM 212 CA LYS A 14 -6.534 -1.782 -0.838 1.00 0.00 C ATOM 213 C LYS A 14 -7.267 -0.715 -0.038 1.00 0.00 C ATOM 214 O LYS A 14 -8.378 -0.904 0.397 1.00 0.00 O ATOM 215 CB LYS A 14 -5.844 -2.778 0.089 1.00 0.00 C ATOM 216 CG LYS A 14 -6.439 -4.172 -0.117 1.00 0.00 C ATOM 217 CD LYS A 14 -5.550 -5.215 0.565 1.00 0.00 C ATOM 218 CE LYS A 14 -4.355 -5.543 -0.337 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.191 -7.021 -0.237 1.00 0.00 N ATOM 220 H LYS A 14 -4.542 -1.140 -1.258 1.00 0.00 H ATOM 221 HA LYS A 14 -7.207 -2.291 -1.492 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.788 -2.800 -0.133 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.992 -2.473 1.114 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.431 -4.205 0.312 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.498 -4.387 -1.174 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.195 -4.824 1.507 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.122 -6.115 0.741 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.565 -5.255 -1.357 1.00 0.00 H ATOM 229 HE3 LYS A 14 -3.465 -5.048 0.020 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.118 -7.480 -0.342 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -3.785 -7.262 0.690 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -3.556 -7.350 -0.992 1.00 0.00 H ATOM 233 N PHE A 15 -6.665 0.420 0.146 1.00 0.00 N ATOM 234 CA PHE A 15 -7.362 1.481 0.898 1.00 0.00 C ATOM 235 C PHE A 15 -8.394 2.119 -0.019 1.00 0.00 C ATOM 236 O PHE A 15 -9.455 2.531 0.404 1.00 0.00 O ATOM 237 CB PHE A 15 -6.283 2.481 1.308 1.00 0.00 C ATOM 238 CG PHE A 15 -6.882 3.516 2.230 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.147 3.195 3.567 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.178 4.797 1.746 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.706 4.155 4.421 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.737 5.756 2.600 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.001 5.434 3.937 1.00 0.00 C ATOM 244 H PHE A 15 -5.775 0.576 -0.219 1.00 0.00 H ATOM 245 HA PHE A 15 -7.837 1.065 1.760 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.488 1.958 1.820 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.889 2.967 0.429 1.00 0.00 H ATOM 248 HD1 PHE A 15 -6.918 2.208 3.941 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.974 5.045 0.715 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.911 3.907 5.452 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.965 6.743 2.226 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.434 6.175 4.595 1.00 0.00 H ATOM 253 N LYS A 16 -8.095 2.169 -1.284 1.00 0.00 N ATOM 254 CA LYS A 16 -9.062 2.744 -2.249 1.00 0.00 C ATOM 255 C LYS A 16 -10.109 1.688 -2.587 1.00 0.00 C ATOM 256 O LYS A 16 -11.227 1.996 -2.951 1.00 0.00 O ATOM 257 CB LYS A 16 -8.240 3.110 -3.486 1.00 0.00 C ATOM 258 CG LYS A 16 -7.523 1.861 -4.009 1.00 0.00 C ATOM 259 CD LYS A 16 -7.033 2.110 -5.438 1.00 0.00 C ATOM 260 CE LYS A 16 -6.843 0.769 -6.151 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.224 0.257 -6.381 1.00 0.00 N ATOM 262 H LYS A 16 -7.245 1.806 -1.600 1.00 0.00 H ATOM 263 HA LYS A 16 -9.525 3.618 -1.831 1.00 0.00 H ATOM 264 HB2 LYS A 16 -8.897 3.497 -4.251 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.509 3.860 -3.224 1.00 0.00 H ATOM 266 HG2 LYS A 16 -6.680 1.637 -3.373 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.208 1.027 -4.006 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.762 2.703 -5.971 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.091 2.636 -5.410 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.332 0.914 -7.093 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.295 0.085 -5.525 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.888 1.056 -6.416 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.490 -0.383 -5.604 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.257 -0.258 -7.283 1.00 0.00 H ATOM 275 N GLU A 17 -9.757 0.438 -2.449 1.00 0.00 N ATOM 276 CA GLU A 17 -10.730 -0.645 -2.739 1.00 0.00 C ATOM 277 C GLU A 17 -11.382 -1.093 -1.434 1.00 0.00 C ATOM 278 O GLU A 17 -12.581 -0.990 -1.253 1.00 0.00 O ATOM 279 CB GLU A 17 -9.906 -1.782 -3.354 1.00 0.00 C ATOM 280 CG GLU A 17 -10.680 -3.100 -3.242 1.00 0.00 C ATOM 281 CD GLU A 17 -10.713 -3.799 -4.603 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.225 -3.218 -5.559 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.226 -4.904 -4.666 1.00 0.00 O ATOM 284 H GLU A 17 -8.856 0.214 -2.140 1.00 0.00 H ATOM 285 HA GLU A 17 -11.469 -0.302 -3.435 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.716 -1.562 -4.394 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.967 -1.872 -2.828 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.195 -3.740 -2.520 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.691 -2.897 -2.920 1.00 0.00 H ATOM 290 N ALA A 18 -10.594 -1.576 -0.517 1.00 0.00 N ATOM 291 CA ALA A 18 -11.149 -2.019 0.787 1.00 0.00 C ATOM 292 C ALA A 18 -11.835 -0.839 1.478 1.00 0.00 C ATOM 293 O ALA A 18 -12.691 -1.014 2.324 1.00 0.00 O ATOM 294 CB ALA A 18 -9.932 -2.483 1.589 1.00 0.00 C ATOM 295 H ALA A 18 -9.634 -1.638 -0.684 1.00 0.00 H ATOM 296 HA ALA A 18 -11.837 -2.835 0.649 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.203 -2.914 0.917 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.235 -3.220 2.314 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.493 -1.635 2.095 1.00 0.00 H ATOM 300 N PHE A 19 -11.472 0.365 1.120 1.00 0.00 N ATOM 301 CA PHE A 19 -12.107 1.549 1.749 1.00 0.00 C ATOM 302 C PHE A 19 -12.221 2.696 0.740 1.00 0.00 C ATOM 303 O PHE A 19 -11.496 3.670 0.817 1.00 0.00 O ATOM 304 CB PHE A 19 -11.184 1.932 2.900 1.00 0.00 C ATOM 305 CG PHE A 19 -11.600 1.188 4.146 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.951 1.138 4.512 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.636 0.549 4.936 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.338 0.449 5.667 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.024 -0.140 6.091 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.375 -0.190 6.457 1.00 0.00 C ATOM 311 H PHE A 19 -10.786 0.489 0.437 1.00 0.00 H ATOM 312 HA PHE A 19 -13.071 1.288 2.130 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.168 1.671 2.646 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.252 2.994 3.076 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.694 1.631 3.903 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.596 0.586 4.653 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.380 0.410 5.949 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.280 -0.632 6.700 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.673 -0.721 7.349 1.00 0.00 H HETATM 320 N NH2 A 20 -13.110 2.622 -0.215 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.190 3.350 -0.867 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.695 1.838 -0.281 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 16 HETATM 1 C ACE A 1 12.303 -1.359 -0.470 1.00 0.00 C HETATM 2 O ACE A 1 11.291 -0.728 -0.228 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.358 -1.595 0.597 1.00 0.00 C HETATM 4 H1 ACE A 1 12.977 -1.273 1.553 1.00 0.00 H HETATM 5 H2 ACE A 1 14.245 -1.036 0.350 1.00 0.00 H HETATM 6 H3 ACE A 1 13.592 -2.650 0.636 1.00 0.00 H ATOM 7 N ASP A 2 12.506 -1.892 -1.637 1.00 0.00 N ATOM 8 CA ASP A 2 11.497 -1.727 -2.689 1.00 0.00 C ATOM 9 C ASP A 2 10.253 -2.403 -2.175 1.00 0.00 C ATOM 10 O ASP A 2 9.158 -1.942 -2.372 1.00 0.00 O ATOM 11 CB ASP A 2 12.053 -2.451 -3.914 1.00 0.00 C ATOM 12 CG ASP A 2 10.922 -2.693 -4.917 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.056 -3.499 -4.620 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.938 -2.065 -5.962 1.00 0.00 O ATOM 15 H ASP A 2 13.294 -2.425 -1.802 1.00 0.00 H ATOM 16 HA ASP A 2 11.320 -0.686 -2.900 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.821 -1.845 -4.372 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.474 -3.400 -3.613 1.00 0.00 H ATOM 19 N TRP A 3 10.448 -3.487 -1.473 1.00 0.00 N ATOM 20 CA TRP A 3 9.309 -4.226 -0.886 1.00 0.00 C ATOM 21 C TRP A 3 8.624 -3.349 0.176 1.00 0.00 C ATOM 22 O TRP A 3 7.500 -3.591 0.569 1.00 0.00 O ATOM 23 CB TRP A 3 9.928 -5.486 -0.250 1.00 0.00 C ATOM 24 CG TRP A 3 10.479 -5.114 1.082 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.194 -4.001 1.306 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.371 -5.800 2.363 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.494 -3.917 2.635 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.031 -5.014 3.338 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.771 -7.003 2.775 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.091 -5.405 4.676 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.835 -7.404 4.121 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.494 -6.606 5.069 1.00 0.00 C ATOM 33 H TRP A 3 11.358 -3.801 -1.315 1.00 0.00 H ATOM 34 HA TRP A 3 8.625 -4.503 -1.653 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.168 -6.245 -0.132 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.721 -5.860 -0.880 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.459 -3.272 0.562 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.984 -3.182 3.042 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.261 -7.625 2.054 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.598 -4.787 5.401 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.374 -8.333 4.428 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.539 -6.920 6.100 1.00 0.00 H ATOM 43 N PHE A 4 9.301 -2.324 0.639 1.00 0.00 N ATOM 44 CA PHE A 4 8.710 -1.434 1.668 1.00 0.00 C ATOM 45 C PHE A 4 7.841 -0.418 0.970 1.00 0.00 C ATOM 46 O PHE A 4 6.640 -0.400 1.131 1.00 0.00 O ATOM 47 CB PHE A 4 9.890 -0.762 2.360 1.00 0.00 C ATOM 48 CG PHE A 4 9.707 -0.843 3.856 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.207 -2.015 4.434 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.033 0.253 4.664 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.031 -2.093 5.819 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.859 0.174 6.051 1.00 0.00 C ATOM 53 CZ PHE A 4 9.358 -0.999 6.629 1.00 0.00 C ATOM 54 H PHE A 4 10.194 -2.137 0.300 1.00 0.00 H ATOM 55 HA PHE A 4 8.142 -2.004 2.371 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.801 -1.266 2.080 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.940 0.272 2.059 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.954 -2.860 3.811 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.419 1.158 4.218 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.646 -2.999 6.264 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.110 1.018 6.675 1.00 0.00 H ATOM 62 HZ PHE A 4 9.222 -1.060 7.697 1.00 0.00 H ATOM 63 N LYS A 5 8.425 0.390 0.140 1.00 0.00 N ATOM 64 CA LYS A 5 7.591 1.343 -0.614 1.00 0.00 C ATOM 65 C LYS A 5 6.630 0.503 -1.447 1.00 0.00 C ATOM 66 O LYS A 5 5.597 0.963 -1.894 1.00 0.00 O ATOM 67 CB LYS A 5 8.566 2.180 -1.462 1.00 0.00 C ATOM 68 CG LYS A 5 8.901 1.498 -2.797 1.00 0.00 C ATOM 69 CD LYS A 5 8.694 2.505 -3.930 1.00 0.00 C ATOM 70 CE LYS A 5 8.115 1.793 -5.152 1.00 0.00 C ATOM 71 NZ LYS A 5 9.293 1.496 -6.014 1.00 0.00 N ATOM 72 H LYS A 5 9.389 0.329 -0.021 1.00 0.00 H ATOM 73 HA LYS A 5 7.042 1.975 0.065 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.119 3.143 -1.663 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.477 2.328 -0.902 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.934 1.178 -2.786 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.265 0.646 -2.956 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.010 3.275 -3.603 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.641 2.953 -4.192 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.621 0.878 -4.854 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.429 2.441 -5.674 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.619 2.371 -6.470 1.00 0.00 H ATOM 83 HZ2 LYS A 5 9.021 0.804 -6.744 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.059 1.105 -5.432 1.00 0.00 H ATOM 85 N ALA A 6 6.956 -0.763 -1.613 1.00 0.00 N ATOM 86 CA ALA A 6 6.058 -1.669 -2.365 1.00 0.00 C ATOM 87 C ALA A 6 4.903 -2.062 -1.448 1.00 0.00 C ATOM 88 O ALA A 6 3.842 -2.449 -1.895 1.00 0.00 O ATOM 89 CB ALA A 6 6.918 -2.873 -2.715 1.00 0.00 C ATOM 90 H ALA A 6 7.782 -1.123 -1.211 1.00 0.00 H ATOM 91 HA ALA A 6 5.700 -1.197 -3.254 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.293 -3.703 -2.992 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.513 -3.135 -1.858 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.573 -2.619 -3.539 1.00 0.00 H ATOM 95 N PHE A 7 5.104 -1.940 -0.160 1.00 0.00 N ATOM 96 CA PHE A 7 4.023 -2.271 0.802 1.00 0.00 C ATOM 97 C PHE A 7 3.083 -1.072 0.924 1.00 0.00 C ATOM 98 O PHE A 7 1.878 -1.204 0.852 1.00 0.00 O ATOM 99 CB PHE A 7 4.723 -2.548 2.134 1.00 0.00 C ATOM 100 CG PHE A 7 5.130 -4.003 2.219 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.262 -5.008 1.771 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.378 -4.345 2.752 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.646 -6.353 1.857 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.762 -5.688 2.836 1.00 0.00 C ATOM 105 CZ PHE A 7 5.896 -6.693 2.389 1.00 0.00 C ATOM 106 H PHE A 7 5.963 -1.616 0.170 1.00 0.00 H ATOM 107 HA PHE A 7 3.490 -3.135 0.475 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.601 -1.927 2.212 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.048 -2.320 2.944 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.296 -4.747 1.363 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.047 -3.571 3.097 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.979 -7.128 1.512 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.727 -5.950 3.247 1.00 0.00 H ATOM 114 HZ PHE A 7 6.193 -7.729 2.452 1.00 0.00 H ATOM 115 N TYR A 8 3.634 0.103 1.084 1.00 0.00 N ATOM 116 CA TYR A 8 2.789 1.322 1.181 1.00 0.00 C ATOM 117 C TYR A 8 1.961 1.448 -0.096 1.00 0.00 C ATOM 118 O TYR A 8 0.842 1.921 -0.085 1.00 0.00 O ATOM 119 CB TYR A 8 3.786 2.476 1.293 1.00 0.00 C ATOM 120 CG TYR A 8 3.075 3.744 1.709 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.877 4.022 3.068 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.623 4.646 0.737 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.229 5.203 3.453 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.973 5.824 1.124 1.00 0.00 C ATOM 125 CZ TYR A 8 1.777 6.102 2.480 1.00 0.00 C ATOM 126 OH TYR A 8 1.139 7.265 2.861 1.00 0.00 O ATOM 127 H TYR A 8 4.604 0.185 1.123 1.00 0.00 H ATOM 128 HA TYR A 8 2.159 1.286 2.052 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.537 2.231 2.028 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.258 2.632 0.335 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.224 3.329 3.818 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.774 4.435 -0.311 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.075 5.419 4.500 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.624 6.521 0.374 1.00 0.00 H ATOM 135 HH TYR A 8 0.462 7.036 3.501 1.00 0.00 H ATOM 136 N ASP A 9 2.510 1.013 -1.200 1.00 0.00 N ATOM 137 CA ASP A 9 1.764 1.090 -2.487 1.00 0.00 C ATOM 138 C ASP A 9 0.612 0.081 -2.474 1.00 0.00 C ATOM 139 O ASP A 9 -0.531 0.419 -2.719 1.00 0.00 O ATOM 140 CB ASP A 9 2.786 0.733 -3.570 1.00 0.00 C ATOM 141 CG ASP A 9 2.337 1.323 -4.909 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.185 1.715 -5.005 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.151 1.376 -5.816 1.00 0.00 O ATOM 144 H ASP A 9 3.410 0.627 -1.179 1.00 0.00 H ATOM 145 HA ASP A 9 1.396 2.085 -2.646 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.750 1.140 -3.303 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.856 -0.339 -3.658 1.00 0.00 H ATOM 148 N LYS A 10 0.908 -1.156 -2.188 1.00 0.00 N ATOM 149 CA LYS A 10 -0.161 -2.196 -2.154 1.00 0.00 C ATOM 150 C LYS A 10 -1.249 -1.822 -1.139 1.00 0.00 C ATOM 151 O LYS A 10 -2.422 -1.789 -1.457 1.00 0.00 O ATOM 152 CB LYS A 10 0.553 -3.478 -1.719 1.00 0.00 C ATOM 153 CG LYS A 10 -0.484 -4.509 -1.262 1.00 0.00 C ATOM 154 CD LYS A 10 0.053 -5.922 -1.500 1.00 0.00 C ATOM 155 CE LYS A 10 -0.902 -6.941 -0.874 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.595 -6.917 0.583 1.00 0.00 N ATOM 157 H LYS A 10 1.837 -1.402 -1.997 1.00 0.00 H ATOM 158 HA LYS A 10 -0.586 -2.327 -3.133 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.117 -3.877 -2.550 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.223 -3.258 -0.901 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.685 -4.375 -0.208 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.396 -4.373 -1.822 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.129 -6.103 -2.562 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.028 -6.020 -1.047 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.929 -6.646 -1.048 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.718 -7.925 -1.276 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.153 -7.608 0.790 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.452 -7.160 1.121 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.272 -5.968 0.855 1.00 0.00 H ATOM 170 N VAL A 11 -0.871 -1.559 0.084 1.00 0.00 N ATOM 171 CA VAL A 11 -1.881 -1.206 1.126 1.00 0.00 C ATOM 172 C VAL A 11 -2.754 -0.029 0.675 1.00 0.00 C ATOM 173 O VAL A 11 -3.962 -0.060 0.804 1.00 0.00 O ATOM 174 CB VAL A 11 -1.066 -0.824 2.366 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.224 -2.018 2.820 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.143 0.349 2.036 1.00 0.00 C ATOM 177 H VAL A 11 0.078 -1.603 0.320 1.00 0.00 H ATOM 178 HA VAL A 11 -2.498 -2.060 1.348 1.00 0.00 H ATOM 179 HB VAL A 11 -1.739 -0.539 3.163 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.431 -1.712 3.624 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.369 -2.377 1.991 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.874 -2.807 3.166 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.614 0.436 2.802 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.720 1.261 1.998 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.329 0.180 1.080 1.00 0.00 H ATOM 186 N ALA A 12 -2.158 1.008 0.156 1.00 0.00 N ATOM 187 CA ALA A 12 -2.964 2.178 -0.288 1.00 0.00 C ATOM 188 C ALA A 12 -3.970 1.752 -1.354 1.00 0.00 C ATOM 189 O ALA A 12 -5.015 2.351 -1.515 1.00 0.00 O ATOM 190 CB ALA A 12 -1.954 3.164 -0.859 1.00 0.00 C ATOM 191 H ALA A 12 -1.185 1.021 0.064 1.00 0.00 H ATOM 192 HA ALA A 12 -3.469 2.619 0.545 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.970 2.919 -0.494 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.216 4.165 -0.546 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.966 3.107 -1.937 1.00 0.00 H ATOM 196 N GLU A 13 -3.667 0.717 -2.080 1.00 0.00 N ATOM 197 CA GLU A 13 -4.605 0.250 -3.131 1.00 0.00 C ATOM 198 C GLU A 13 -5.755 -0.529 -2.495 1.00 0.00 C ATOM 199 O GLU A 13 -6.844 -0.604 -3.034 1.00 0.00 O ATOM 200 CB GLU A 13 -3.765 -0.658 -4.028 1.00 0.00 C ATOM 201 CG GLU A 13 -4.574 -1.072 -5.261 1.00 0.00 C ATOM 202 CD GLU A 13 -5.012 0.175 -6.029 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.974 0.797 -5.610 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.378 0.487 -7.023 1.00 0.00 O ATOM 205 H GLU A 13 -2.823 0.246 -1.935 1.00 0.00 H ATOM 206 HA GLU A 13 -4.976 1.083 -3.690 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.879 -0.130 -4.343 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.479 -1.542 -3.476 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.959 -1.690 -5.900 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.446 -1.627 -4.952 1.00 0.00 H ATOM 211 N LYS A 14 -5.524 -1.106 -1.351 1.00 0.00 N ATOM 212 CA LYS A 14 -6.594 -1.874 -0.687 1.00 0.00 C ATOM 213 C LYS A 14 -7.349 -0.978 0.278 1.00 0.00 C ATOM 214 O LYS A 14 -8.435 -1.290 0.711 1.00 0.00 O ATOM 215 CB LYS A 14 -5.879 -3.006 0.049 1.00 0.00 C ATOM 216 CG LYS A 14 -5.172 -3.907 -0.966 1.00 0.00 C ATOM 217 CD LYS A 14 -6.143 -4.986 -1.451 1.00 0.00 C ATOM 218 CE LYS A 14 -5.559 -5.693 -2.677 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.685 -7.145 -2.374 1.00 0.00 N ATOM 220 H LYS A 14 -4.651 -1.029 -0.929 1.00 0.00 H ATOM 221 HA LYS A 14 -7.261 -2.271 -1.419 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.151 -2.588 0.729 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.599 -3.588 0.603 1.00 0.00 H ATOM 224 HG2 LYS A 14 -4.844 -3.312 -1.807 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.317 -4.375 -0.501 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.300 -5.707 -0.661 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.086 -4.531 -1.714 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.128 -5.439 -3.561 1.00 0.00 H ATOM 229 HE3 LYS A 14 -4.522 -5.428 -2.806 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.978 -7.677 -2.919 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.639 -7.471 -2.630 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.525 -7.303 -1.359 1.00 0.00 H ATOM 233 N PHE A 15 -6.799 0.151 0.600 1.00 0.00 N ATOM 234 CA PHE A 15 -7.521 1.062 1.509 1.00 0.00 C ATOM 235 C PHE A 15 -8.422 1.952 0.673 1.00 0.00 C ATOM 236 O PHE A 15 -9.492 2.355 1.088 1.00 0.00 O ATOM 237 CB PHE A 15 -6.449 1.889 2.222 1.00 0.00 C ATOM 238 CG PHE A 15 -5.672 1.027 3.199 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.883 -0.358 3.251 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.737 1.623 4.057 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.159 -1.144 4.158 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.014 0.835 4.963 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.226 -0.547 5.013 1.00 0.00 C ATOM 244 H PHE A 15 -5.934 0.407 0.228 1.00 0.00 H ATOM 245 HA PHE A 15 -8.095 0.502 2.210 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.770 2.297 1.490 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.924 2.696 2.759 1.00 0.00 H ATOM 248 HD1 PHE A 15 -6.603 -0.819 2.592 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.573 2.690 4.018 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.322 -2.210 4.197 1.00 0.00 H ATOM 251 HE2 PHE A 15 -3.293 1.296 5.623 1.00 0.00 H ATOM 252 HZ PHE A 15 -3.668 -1.153 5.709 1.00 0.00 H ATOM 253 N LYS A 16 -7.999 2.237 -0.520 1.00 0.00 N ATOM 254 CA LYS A 16 -8.817 3.084 -1.410 1.00 0.00 C ATOM 255 C LYS A 16 -9.718 2.202 -2.263 1.00 0.00 C ATOM 256 O LYS A 16 -10.715 2.647 -2.793 1.00 0.00 O ATOM 257 CB LYS A 16 -7.816 3.843 -2.273 1.00 0.00 C ATOM 258 CG LYS A 16 -7.667 5.272 -1.744 1.00 0.00 C ATOM 259 CD LYS A 16 -6.535 5.321 -0.716 1.00 0.00 C ATOM 260 CE LYS A 16 -7.090 5.797 0.630 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.913 6.347 1.359 1.00 0.00 N ATOM 262 H LYS A 16 -7.149 1.875 -0.838 1.00 0.00 H ATOM 263 HA LYS A 16 -9.396 3.772 -0.833 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.860 3.343 -2.235 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.172 3.873 -3.290 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.437 5.937 -2.564 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.590 5.582 -1.277 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.110 4.333 -0.603 1.00 0.00 H ATOM 269 HD3 LYS A 16 -5.772 6.006 -1.052 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.833 6.566 0.477 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.512 4.969 1.179 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.190 6.588 2.331 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.571 7.200 0.872 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.157 5.635 1.383 1.00 0.00 H ATOM 275 N GLU A 17 -9.383 0.946 -2.395 1.00 0.00 N ATOM 276 CA GLU A 17 -10.238 0.049 -3.209 1.00 0.00 C ATOM 277 C GLU A 17 -11.121 -0.806 -2.308 1.00 0.00 C ATOM 278 O GLU A 17 -12.215 -1.183 -2.670 1.00 0.00 O ATOM 279 CB GLU A 17 -9.284 -0.813 -4.029 1.00 0.00 C ATOM 280 CG GLU A 17 -10.033 -1.384 -5.236 1.00 0.00 C ATOM 281 CD GLU A 17 -9.325 -2.646 -5.732 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.215 -3.584 -4.961 1.00 0.00 O ATOM 283 OE2 GLU A 17 -8.905 -2.653 -6.878 1.00 0.00 O ATOM 284 H GLU A 17 -8.581 0.597 -1.951 1.00 0.00 H ATOM 285 HA GLU A 17 -10.845 0.635 -3.859 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.455 -0.209 -4.370 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.915 -1.623 -3.420 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.045 -1.629 -4.947 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.053 -0.650 -6.027 1.00 0.00 H ATOM 290 N ALA A 18 -10.662 -1.107 -1.130 1.00 0.00 N ATOM 291 CA ALA A 18 -11.482 -1.919 -0.205 1.00 0.00 C ATOM 292 C ALA A 18 -12.254 -0.991 0.731 1.00 0.00 C ATOM 293 O ALA A 18 -13.226 -1.384 1.345 1.00 0.00 O ATOM 294 CB ALA A 18 -10.479 -2.764 0.571 1.00 0.00 C ATOM 295 H ALA A 18 -9.785 -0.792 -0.849 1.00 0.00 H ATOM 296 HA ALA A 18 -12.152 -2.549 -0.758 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.911 -3.727 0.792 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.222 -2.261 1.492 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.586 -2.898 -0.025 1.00 0.00 H ATOM 300 N PHE A 19 -11.813 0.241 0.826 1.00 0.00 N ATOM 301 CA PHE A 19 -12.486 1.247 1.711 1.00 0.00 C ATOM 302 C PHE A 19 -13.227 0.573 2.872 1.00 0.00 C ATOM 303 O PHE A 19 -14.412 0.769 3.053 1.00 0.00 O ATOM 304 CB PHE A 19 -13.474 1.990 0.807 1.00 0.00 C ATOM 305 CG PHE A 19 -14.269 1.004 -0.017 1.00 0.00 C ATOM 306 CD1 PHE A 19 -15.478 0.496 0.475 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.803 0.607 -1.277 1.00 0.00 C ATOM 308 CE1 PHE A 19 -16.220 -0.410 -0.291 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.547 -0.299 -2.043 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.754 -0.807 -1.550 1.00 0.00 C ATOM 311 H PHE A 19 -11.022 0.512 0.300 1.00 0.00 H ATOM 312 HA PHE A 19 -11.759 1.944 2.096 1.00 0.00 H ATOM 313 HB2 PHE A 19 -14.149 2.571 1.417 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.931 2.651 0.148 1.00 0.00 H ATOM 315 HD1 PHE A 19 -15.838 0.802 1.446 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.871 1.000 -1.657 1.00 0.00 H ATOM 317 HE1 PHE A 19 -17.152 -0.802 0.086 1.00 0.00 H ATOM 318 HE2 PHE A 19 -14.190 -0.606 -3.016 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.325 -1.506 -2.141 1.00 0.00 H HETATM 320 N NH2 A 20 -12.572 -0.224 3.671 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.036 -0.662 4.415 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.615 -0.385 3.529 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 17 HETATM 1 C ACE A 1 12.276 -1.438 -0.905 1.00 0.00 C HETATM 2 O ACE A 1 11.361 -0.785 -0.435 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.369 -2.018 -0.020 1.00 0.00 C HETATM 4 H1 ACE A 1 13.883 -2.801 -0.558 1.00 0.00 H HETATM 5 H2 ACE A 1 12.921 -2.430 0.873 1.00 0.00 H HETATM 6 H3 ACE A 1 14.063 -1.241 0.247 1.00 0.00 H ATOM 7 N ASP A 2 12.328 -1.707 -2.176 1.00 0.00 N ATOM 8 CA ASP A 2 11.266 -1.212 -3.059 1.00 0.00 C ATOM 9 C ASP A 2 10.016 -1.950 -2.640 1.00 0.00 C ATOM 10 O ASP A 2 8.929 -1.426 -2.666 1.00 0.00 O ATOM 11 CB ASP A 2 11.693 -1.593 -4.478 1.00 0.00 C ATOM 12 CG ASP A 2 10.468 -1.622 -5.393 1.00 0.00 C ATOM 13 OD1 ASP A 2 9.577 -0.815 -5.183 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.442 -2.449 -6.288 1.00 0.00 O ATOM 15 H ASP A 2 13.035 -2.266 -2.533 1.00 0.00 H ATOM 16 HA ASP A 2 11.147 -0.147 -2.960 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.401 -0.864 -4.847 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.155 -2.568 -4.466 1.00 0.00 H ATOM 19 N TRP A 3 10.200 -3.174 -2.212 1.00 0.00 N ATOM 20 CA TRP A 3 9.066 -3.997 -1.738 1.00 0.00 C ATOM 21 C TRP A 3 8.489 -3.380 -0.448 1.00 0.00 C ATOM 22 O TRP A 3 7.370 -3.652 -0.057 1.00 0.00 O ATOM 23 CB TRP A 3 9.670 -5.383 -1.463 1.00 0.00 C ATOM 24 CG TRP A 3 10.325 -5.355 -0.128 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.145 -4.376 0.290 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.222 -6.304 0.968 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.518 -4.625 1.582 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.995 -5.818 2.048 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.538 -7.520 1.132 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.085 -6.517 3.253 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.628 -8.227 2.341 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.400 -7.727 3.399 1.00 0.00 C ATOM 33 H TRP A 3 11.104 -3.541 -2.184 1.00 0.00 H ATOM 34 HA TRP A 3 8.323 -4.068 -2.497 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.887 -6.127 -1.468 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.401 -5.618 -2.222 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.436 -3.515 -0.283 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.089 -4.043 2.111 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.941 -7.912 0.322 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.681 -6.126 4.065 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.100 -9.162 2.457 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.466 -8.276 4.326 1.00 0.00 H ATOM 43 N PHE A 4 9.257 -2.541 0.208 1.00 0.00 N ATOM 44 CA PHE A 4 8.786 -1.894 1.458 1.00 0.00 C ATOM 45 C PHE A 4 7.905 -0.730 1.070 1.00 0.00 C ATOM 46 O PHE A 4 6.718 -0.715 1.324 1.00 0.00 O ATOM 47 CB PHE A 4 10.050 -1.408 2.161 1.00 0.00 C ATOM 48 CG PHE A 4 9.889 -1.542 3.657 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.461 -2.755 4.210 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.175 -0.455 4.493 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.318 -2.881 5.597 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.034 -0.582 5.880 1.00 0.00 C ATOM 53 CZ PHE A 4 9.605 -1.794 6.432 1.00 0.00 C ATOM 54 H PHE A 4 10.143 -2.327 -0.134 1.00 0.00 H ATOM 55 HA PHE A 4 8.260 -2.594 2.074 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.888 -2.005 1.835 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.223 -0.375 1.908 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.238 -3.593 3.567 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.505 0.482 4.068 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.988 -3.816 6.024 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.255 0.257 6.524 1.00 0.00 H ATOM 62 HZ PHE A 4 9.496 -1.892 7.503 1.00 0.00 H ATOM 63 N LYS A 5 8.469 0.223 0.389 1.00 0.00 N ATOM 64 CA LYS A 5 7.640 1.346 -0.083 1.00 0.00 C ATOM 65 C LYS A 5 6.585 0.747 -1.005 1.00 0.00 C ATOM 66 O LYS A 5 5.559 1.340 -1.273 1.00 0.00 O ATOM 67 CB LYS A 5 8.587 2.273 -0.850 1.00 0.00 C ATOM 68 CG LYS A 5 7.771 3.326 -1.602 1.00 0.00 C ATOM 69 CD LYS A 5 8.620 4.585 -1.799 1.00 0.00 C ATOM 70 CE LYS A 5 7.714 5.818 -1.795 1.00 0.00 C ATOM 71 NZ LYS A 5 8.457 6.839 -1.005 1.00 0.00 N ATOM 72 H LYS A 5 9.418 0.164 0.149 1.00 0.00 H ATOM 73 HA LYS A 5 7.181 1.861 0.744 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.252 2.762 -0.153 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.164 1.695 -1.555 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.479 2.935 -2.566 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.890 3.575 -1.031 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.339 4.662 -0.996 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.139 4.524 -2.743 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.550 6.166 -2.807 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.773 5.593 -1.318 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.687 6.454 -0.068 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.866 7.690 -0.897 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.337 7.088 -1.500 1.00 0.00 H ATOM 85 N ALA A 6 6.829 -0.459 -1.469 1.00 0.00 N ATOM 86 CA ALA A 6 5.841 -1.130 -2.347 1.00 0.00 C ATOM 87 C ALA A 6 4.740 -1.729 -1.476 1.00 0.00 C ATOM 88 O ALA A 6 3.662 -2.037 -1.940 1.00 0.00 O ATOM 89 CB ALA A 6 6.625 -2.216 -3.058 1.00 0.00 C ATOM 90 H ALA A 6 7.661 -0.933 -1.217 1.00 0.00 H ATOM 91 HA ALA A 6 5.438 -0.441 -3.057 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.212 -1.774 -3.852 1.00 0.00 H ATOM 93 HB2 ALA A 6 5.949 -2.947 -3.466 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.283 -2.683 -2.350 1.00 0.00 H ATOM 95 N PHE A 7 5.012 -1.881 -0.207 1.00 0.00 N ATOM 96 CA PHE A 7 3.994 -2.433 0.719 1.00 0.00 C ATOM 97 C PHE A 7 3.068 -1.308 1.163 1.00 0.00 C ATOM 98 O PHE A 7 1.867 -1.371 0.995 1.00 0.00 O ATOM 99 CB PHE A 7 4.777 -2.970 1.912 1.00 0.00 C ATOM 100 CG PHE A 7 5.124 -4.425 1.703 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.187 -5.304 1.142 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.385 -4.895 2.083 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.517 -6.653 0.962 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.712 -6.244 1.905 1.00 0.00 C ATOM 105 CZ PHE A 7 5.780 -7.122 1.343 1.00 0.00 C ATOM 106 H PHE A 7 5.884 -1.617 0.140 1.00 0.00 H ATOM 107 HA PHE A 7 3.445 -3.217 0.247 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.684 -2.400 2.028 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.176 -2.872 2.803 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.213 -4.944 0.848 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.106 -4.218 2.514 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.798 -7.332 0.529 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.685 -6.604 2.201 1.00 0.00 H ATOM 114 HZ PHE A 7 6.033 -8.164 1.207 1.00 0.00 H ATOM 115 N TYR A 8 3.627 -0.265 1.714 1.00 0.00 N ATOM 116 CA TYR A 8 2.785 0.877 2.148 1.00 0.00 C ATOM 117 C TYR A 8 1.958 1.348 0.955 1.00 0.00 C ATOM 118 O TYR A 8 0.840 1.802 1.094 1.00 0.00 O ATOM 119 CB TYR A 8 3.770 1.961 2.590 1.00 0.00 C ATOM 120 CG TYR A 8 3.058 3.290 2.665 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.018 3.474 3.584 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.436 4.338 1.817 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.355 4.705 3.655 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.774 5.569 1.887 1.00 0.00 C ATOM 125 CZ TYR A 8 1.734 5.753 2.807 1.00 0.00 C ATOM 126 OH TYR A 8 1.081 6.967 2.877 1.00 0.00 O ATOM 127 H TYR A 8 4.600 -0.231 1.826 1.00 0.00 H ATOM 128 HA TYR A 8 2.147 0.590 2.968 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.168 1.710 3.564 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.579 2.026 1.878 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.727 2.666 4.238 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.239 4.196 1.107 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.554 4.847 4.364 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.066 6.378 1.233 1.00 0.00 H ATOM 135 HH TYR A 8 1.047 7.233 3.799 1.00 0.00 H ATOM 136 N ASP A 9 2.500 1.216 -0.226 1.00 0.00 N ATOM 137 CA ASP A 9 1.748 1.627 -1.438 1.00 0.00 C ATOM 138 C ASP A 9 0.731 0.542 -1.782 1.00 0.00 C ATOM 139 O ASP A 9 -0.350 0.813 -2.268 1.00 0.00 O ATOM 140 CB ASP A 9 2.795 1.757 -2.539 1.00 0.00 C ATOM 141 CG ASP A 9 3.092 3.237 -2.791 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.417 4.064 -2.198 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.988 3.518 -3.569 1.00 0.00 O ATOM 144 H ASP A 9 3.397 0.831 -0.315 1.00 0.00 H ATOM 145 HA ASP A 9 1.264 2.567 -1.276 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.699 1.255 -2.234 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.418 1.310 -3.445 1.00 0.00 H ATOM 148 N LYS A 10 1.071 -0.689 -1.514 1.00 0.00 N ATOM 149 CA LYS A 10 0.131 -1.801 -1.800 1.00 0.00 C ATOM 150 C LYS A 10 -1.081 -1.675 -0.881 1.00 0.00 C ATOM 151 O LYS A 10 -2.198 -1.518 -1.329 1.00 0.00 O ATOM 152 CB LYS A 10 0.910 -3.078 -1.493 1.00 0.00 C ATOM 153 CG LYS A 10 -0.050 -4.271 -1.481 1.00 0.00 C ATOM 154 CD LYS A 10 -0.729 -4.396 -2.848 1.00 0.00 C ATOM 155 CE LYS A 10 -2.057 -5.139 -2.697 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.036 -6.175 -3.765 1.00 0.00 N ATOM 157 H LYS A 10 1.939 -0.878 -1.111 1.00 0.00 H ATOM 158 HA LYS A 10 -0.168 -1.783 -2.833 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.666 -3.229 -2.250 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.381 -2.989 -0.526 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.501 -5.174 -1.267 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.801 -4.119 -0.721 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.913 -3.413 -3.252 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.086 -4.946 -3.519 1.00 0.00 H ATOM 165 HE2 LYS A 10 -2.119 -5.602 -1.721 1.00 0.00 H ATOM 166 HE3 LYS A 10 -2.885 -4.466 -2.851 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.453 -5.844 -4.559 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -3.008 -6.349 -4.097 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -1.635 -7.057 -3.388 1.00 0.00 H ATOM 170 N VAL A 11 -0.870 -1.717 0.407 1.00 0.00 N ATOM 171 CA VAL A 11 -2.019 -1.566 1.337 1.00 0.00 C ATOM 172 C VAL A 11 -2.847 -0.368 0.882 1.00 0.00 C ATOM 173 O VAL A 11 -4.058 -0.430 0.798 1.00 0.00 O ATOM 174 CB VAL A 11 -1.401 -1.319 2.713 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.665 -2.580 3.168 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.412 -0.154 2.631 1.00 0.00 C ATOM 177 H VAL A 11 0.038 -1.827 0.757 1.00 0.00 H ATOM 178 HA VAL A 11 -2.619 -2.464 1.350 1.00 0.00 H ATOM 179 HB VAL A 11 -2.183 -1.083 3.421 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.043 -2.348 4.020 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.049 -2.947 2.361 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.386 -3.336 3.444 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.956 0.774 2.541 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.227 -0.283 1.769 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.193 -0.132 3.526 1.00 0.00 H ATOM 186 N ALA A 12 -2.193 0.716 0.556 1.00 0.00 N ATOM 187 CA ALA A 12 -2.934 1.909 0.070 1.00 0.00 C ATOM 188 C ALA A 12 -3.797 1.502 -1.113 1.00 0.00 C ATOM 189 O ALA A 12 -4.864 2.033 -1.326 1.00 0.00 O ATOM 190 CB ALA A 12 -1.866 2.906 -0.354 1.00 0.00 C ATOM 191 H ALA A 12 -1.215 0.736 0.610 1.00 0.00 H ATOM 192 HA ALA A 12 -3.542 2.326 0.849 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.107 3.293 -1.332 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.907 2.413 -0.384 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.835 3.718 0.358 1.00 0.00 H ATOM 196 N GLU A 13 -3.354 0.536 -1.868 1.00 0.00 N ATOM 197 CA GLU A 13 -4.170 0.070 -3.010 1.00 0.00 C ATOM 198 C GLU A 13 -5.376 -0.674 -2.450 1.00 0.00 C ATOM 199 O GLU A 13 -6.424 -0.754 -3.062 1.00 0.00 O ATOM 200 CB GLU A 13 -3.267 -0.867 -3.807 1.00 0.00 C ATOM 201 CG GLU A 13 -3.967 -1.263 -5.107 1.00 0.00 C ATOM 202 CD GLU A 13 -3.097 -2.266 -5.866 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.134 -3.434 -5.517 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.408 -1.848 -6.781 1.00 0.00 O ATOM 205 H GLU A 13 -2.501 0.105 -1.669 1.00 0.00 H ATOM 206 HA GLU A 13 -4.480 0.900 -3.613 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.338 -0.363 -4.035 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.064 -1.752 -3.225 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.923 -1.713 -4.878 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.117 -0.386 -5.717 1.00 0.00 H ATOM 211 N LYS A 14 -5.239 -1.186 -1.257 1.00 0.00 N ATOM 212 CA LYS A 14 -6.361 -1.881 -0.618 1.00 0.00 C ATOM 213 C LYS A 14 -7.219 -0.825 0.046 1.00 0.00 C ATOM 214 O LYS A 14 -8.399 -0.985 0.197 1.00 0.00 O ATOM 215 CB LYS A 14 -5.729 -2.819 0.413 1.00 0.00 C ATOM 216 CG LYS A 14 -6.825 -3.481 1.249 1.00 0.00 C ATOM 217 CD LYS A 14 -7.657 -4.407 0.362 1.00 0.00 C ATOM 218 CE LYS A 14 -8.444 -5.385 1.238 1.00 0.00 C ATOM 219 NZ LYS A 14 -9.650 -5.734 0.439 1.00 0.00 N ATOM 220 H LYS A 14 -4.410 -1.081 -0.768 1.00 0.00 H ATOM 221 HA LYS A 14 -6.924 -2.433 -1.344 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.157 -3.580 -0.098 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.077 -2.254 1.062 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.372 -4.056 2.046 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.464 -2.722 1.673 1.00 0.00 H ATOM 226 HD2 LYS A 14 -8.344 -3.818 -0.229 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.002 -4.962 -0.294 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.853 -6.269 1.439 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.737 -4.910 2.161 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -10.023 -6.652 0.752 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -9.394 -5.790 -0.569 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -10.377 -5.003 0.571 1.00 0.00 H ATOM 233 N PHE A 15 -6.629 0.280 0.410 1.00 0.00 N ATOM 234 CA PHE A 15 -7.425 1.365 1.029 1.00 0.00 C ATOM 235 C PHE A 15 -8.327 1.963 -0.040 1.00 0.00 C ATOM 236 O PHE A 15 -9.445 2.367 0.215 1.00 0.00 O ATOM 237 CB PHE A 15 -6.411 2.400 1.518 1.00 0.00 C ATOM 238 CG PHE A 15 -5.937 2.044 2.907 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.710 2.390 4.022 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.721 1.371 3.079 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.267 2.063 5.310 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.278 1.044 4.367 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.051 1.389 5.481 1.00 0.00 C ATOM 244 H PHE A 15 -5.671 0.403 0.249 1.00 0.00 H ATOM 245 HA PHE A 15 -8.001 0.988 1.844 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.568 2.417 0.844 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.878 3.372 1.536 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.647 2.910 3.889 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.124 1.105 2.221 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.862 2.330 6.170 1.00 0.00 H ATOM 251 HE2 PHE A 15 -3.341 0.525 4.499 1.00 0.00 H ATOM 252 HZ PHE A 15 -4.709 1.137 6.475 1.00 0.00 H ATOM 253 N LYS A 16 -7.842 1.997 -1.246 1.00 0.00 N ATOM 254 CA LYS A 16 -8.649 2.541 -2.364 1.00 0.00 C ATOM 255 C LYS A 16 -9.621 1.468 -2.855 1.00 0.00 C ATOM 256 O LYS A 16 -10.649 1.760 -3.434 1.00 0.00 O ATOM 257 CB LYS A 16 -7.636 2.893 -3.454 1.00 0.00 C ATOM 258 CG LYS A 16 -8.376 3.295 -4.732 1.00 0.00 C ATOM 259 CD LYS A 16 -7.815 2.509 -5.919 1.00 0.00 C ATOM 260 CE LYS A 16 -8.971 1.917 -6.728 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.332 0.957 -7.671 1.00 0.00 N ATOM 262 H LYS A 16 -6.945 1.649 -1.417 1.00 0.00 H ATOM 263 HA LYS A 16 -9.178 3.421 -2.051 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.019 3.714 -3.119 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.012 2.034 -3.657 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.428 3.078 -4.620 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.242 4.352 -4.907 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.237 3.171 -6.547 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.185 1.711 -5.559 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.660 1.401 -6.072 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.481 2.692 -7.277 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.492 0.538 -7.224 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.050 1.459 -8.539 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -9.007 0.204 -7.910 1.00 0.00 H ATOM 275 N GLU A 17 -9.300 0.224 -2.619 1.00 0.00 N ATOM 276 CA GLU A 17 -10.194 -0.879 -3.059 1.00 0.00 C ATOM 277 C GLU A 17 -11.015 -1.386 -1.868 1.00 0.00 C ATOM 278 O GLU A 17 -11.966 -2.128 -2.018 1.00 0.00 O ATOM 279 CB GLU A 17 -9.248 -1.963 -3.583 1.00 0.00 C ATOM 280 CG GLU A 17 -10.047 -3.201 -4.006 1.00 0.00 C ATOM 281 CD GLU A 17 -10.463 -3.071 -5.473 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.674 -3.439 -6.327 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.566 -2.610 -5.718 1.00 0.00 O ATOM 284 H GLU A 17 -8.469 0.015 -2.147 1.00 0.00 H ATOM 285 HA GLU A 17 -10.838 -0.538 -3.843 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.704 -1.579 -4.435 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.551 -2.235 -2.807 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.434 -4.082 -3.884 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.928 -3.289 -3.392 1.00 0.00 H ATOM 290 N ALA A 18 -10.655 -0.973 -0.686 1.00 0.00 N ATOM 291 CA ALA A 18 -11.395 -1.402 0.526 1.00 0.00 C ATOM 292 C ALA A 18 -12.405 -0.322 0.903 1.00 0.00 C ATOM 293 O ALA A 18 -13.357 -0.559 1.620 1.00 0.00 O ATOM 294 CB ALA A 18 -10.321 -1.544 1.607 1.00 0.00 C ATOM 295 H ALA A 18 -9.900 -0.371 -0.597 1.00 0.00 H ATOM 296 HA ALA A 18 -11.882 -2.342 0.357 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.608 -2.301 1.306 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.777 -1.829 2.541 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.806 -0.602 1.728 1.00 0.00 H ATOM 300 N PHE A 19 -12.196 0.867 0.412 1.00 0.00 N ATOM 301 CA PHE A 19 -13.127 1.981 0.717 1.00 0.00 C ATOM 302 C PHE A 19 -14.109 2.177 -0.441 1.00 0.00 C ATOM 303 O PHE A 19 -13.927 3.045 -1.272 1.00 0.00 O ATOM 304 CB PHE A 19 -12.232 3.209 0.879 1.00 0.00 C ATOM 305 CG PHE A 19 -11.661 3.257 2.280 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.766 2.146 3.130 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.024 4.419 2.729 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.236 2.201 4.424 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.495 4.474 4.024 1.00 0.00 C ATOM 310 CZ PHE A 19 -10.601 3.365 4.872 1.00 0.00 C ATOM 311 H PHE A 19 -11.424 1.026 -0.160 1.00 0.00 H ATOM 312 HA PHE A 19 -13.649 1.787 1.630 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.425 3.158 0.165 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.815 4.099 0.701 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.256 1.247 2.785 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.943 5.276 2.075 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.317 1.345 5.078 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.005 5.373 4.369 1.00 0.00 H ATOM 319 HZ PHE A 19 -10.193 3.408 5.871 1.00 0.00 H HETATM 320 N NH2 A 20 -15.147 1.393 -0.539 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -15.776 1.502 -1.282 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -15.296 0.692 0.130 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 18 HETATM 1 C ACE A 1 12.201 -1.205 -0.272 1.00 0.00 C HETATM 2 O ACE A 1 11.195 -0.522 -0.244 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.168 -1.230 0.900 1.00 0.00 C HETATM 4 H1 ACE A 1 13.431 -0.221 1.170 1.00 0.00 H HETATM 5 H2 ACE A 1 14.054 -1.777 0.620 1.00 0.00 H HETATM 6 H3 ACE A 1 12.694 -1.719 1.741 1.00 0.00 H ATOM 7 N ASP A 2 12.464 -1.975 -1.284 1.00 0.00 N ATOM 8 CA ASP A 2 11.527 -2.020 -2.416 1.00 0.00 C ATOM 9 C ASP A 2 10.250 -2.595 -1.858 1.00 0.00 C ATOM 10 O ASP A 2 9.165 -2.163 -2.167 1.00 0.00 O ATOM 11 CB ASP A 2 12.160 -2.964 -3.440 1.00 0.00 C ATOM 12 CG ASP A 2 12.402 -4.332 -2.797 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.680 -4.367 -1.610 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.306 -5.321 -3.503 1.00 0.00 O ATOM 15 H ASP A 2 13.242 -2.548 -1.278 1.00 0.00 H ATOM 16 HA ASP A 2 11.373 -1.039 -2.831 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.496 -3.075 -4.285 1.00 0.00 H ATOM 18 HB3 ASP A 2 13.102 -2.553 -3.773 1.00 0.00 H ATOM 19 N TRP A 3 10.406 -3.554 -0.984 1.00 0.00 N ATOM 20 CA TRP A 3 9.242 -4.180 -0.323 1.00 0.00 C ATOM 21 C TRP A 3 8.563 -3.145 0.594 1.00 0.00 C ATOM 22 O TRP A 3 7.453 -3.329 1.039 1.00 0.00 O ATOM 23 CB TRP A 3 9.836 -5.329 0.513 1.00 0.00 C ATOM 24 CG TRP A 3 10.297 -4.756 1.809 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.058 -3.652 1.907 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.025 -5.194 3.172 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.232 -3.344 3.229 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.641 -4.279 4.059 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.313 -6.276 3.720 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.550 -4.430 5.444 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.225 -6.433 5.114 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.843 -5.513 5.973 1.00 0.00 C ATOM 33 H TRP A 3 11.307 -3.843 -0.743 1.00 0.00 H ATOM 34 HA TRP A 3 8.566 -4.562 -1.049 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.080 -6.079 0.692 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.673 -5.769 -0.008 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.434 -3.076 1.077 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.721 -2.571 3.552 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.833 -6.990 3.068 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.027 -3.718 6.102 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.678 -7.268 5.525 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.770 -5.641 7.042 1.00 0.00 H ATOM 43 N PHE A 4 9.262 -2.071 0.893 1.00 0.00 N ATOM 44 CA PHE A 4 8.725 -1.023 1.797 1.00 0.00 C ATOM 45 C PHE A 4 7.757 -0.162 1.025 1.00 0.00 C ATOM 46 O PHE A 4 6.574 -0.126 1.295 1.00 0.00 O ATOM 47 CB PHE A 4 9.950 -0.214 2.213 1.00 0.00 C ATOM 48 CG PHE A 4 9.679 0.500 3.511 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.019 1.733 3.504 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.091 -0.068 4.721 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.770 2.400 4.708 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.843 0.597 5.927 1.00 0.00 C ATOM 53 CZ PHE A 4 9.182 1.832 5.920 1.00 0.00 C ATOM 54 H PHE A 4 10.155 -1.961 0.524 1.00 0.00 H ATOM 55 HA PHE A 4 8.260 -1.460 2.656 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.791 -0.879 2.340 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.175 0.510 1.446 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.702 2.169 2.570 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.601 -1.021 4.724 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.261 3.352 4.703 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.162 0.160 6.861 1.00 0.00 H ATOM 62 HZ PHE A 4 8.990 2.347 6.850 1.00 0.00 H ATOM 63 N LYS A 5 8.249 0.494 0.023 1.00 0.00 N ATOM 64 CA LYS A 5 7.351 1.307 -0.815 1.00 0.00 C ATOM 65 C LYS A 5 6.465 0.337 -1.594 1.00 0.00 C ATOM 66 O LYS A 5 5.492 0.718 -2.216 1.00 0.00 O ATOM 67 CB LYS A 5 8.264 2.102 -1.744 1.00 0.00 C ATOM 68 CG LYS A 5 7.617 3.450 -2.070 1.00 0.00 C ATOM 69 CD LYS A 5 8.055 4.496 -1.039 1.00 0.00 C ATOM 70 CE LYS A 5 7.158 4.405 0.199 1.00 0.00 C ATOM 71 NZ LYS A 5 7.195 5.765 0.806 1.00 0.00 N ATOM 72 H LYS A 5 9.199 0.412 -0.199 1.00 0.00 H ATOM 73 HA LYS A 5 6.763 1.966 -0.210 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.214 2.265 -1.258 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.415 1.549 -2.657 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.926 3.768 -3.057 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.543 3.351 -2.044 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.082 4.314 -0.755 1.00 0.00 H ATOM 79 HD3 LYS A 5 7.970 5.482 -1.471 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.149 4.147 -0.089 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.548 3.679 0.895 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.787 5.729 1.761 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.646 6.423 0.217 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.181 6.092 0.866 1.00 0.00 H ATOM 85 N ALA A 6 6.801 -0.935 -1.548 1.00 0.00 N ATOM 86 CA ALA A 6 5.990 -1.950 -2.267 1.00 0.00 C ATOM 87 C ALA A 6 4.739 -2.294 -1.457 1.00 0.00 C ATOM 88 O ALA A 6 3.683 -2.543 -2.006 1.00 0.00 O ATOM 89 CB ALA A 6 6.907 -3.156 -2.384 1.00 0.00 C ATOM 90 H ALA A 6 7.590 -1.223 -1.028 1.00 0.00 H ATOM 91 HA ALA A 6 5.729 -1.598 -3.242 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.321 -4.050 -2.519 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.489 -3.236 -1.485 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.570 -3.023 -3.229 1.00 0.00 H ATOM 95 N PHE A 7 4.840 -2.303 -0.154 1.00 0.00 N ATOM 96 CA PHE A 7 3.654 -2.620 0.675 1.00 0.00 C ATOM 97 C PHE A 7 2.844 -1.346 0.917 1.00 0.00 C ATOM 98 O PHE A 7 1.638 -1.382 1.041 1.00 0.00 O ATOM 99 CB PHE A 7 4.208 -3.212 1.981 1.00 0.00 C ATOM 100 CG PHE A 7 4.603 -2.116 2.950 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.618 -1.363 3.598 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.955 -1.859 3.208 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.982 -0.355 4.499 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.320 -0.852 4.108 1.00 0.00 C ATOM 105 CZ PHE A 7 5.333 -0.100 4.754 1.00 0.00 C ATOM 106 H PHE A 7 5.688 -2.095 0.275 1.00 0.00 H ATOM 107 HA PHE A 7 3.048 -3.351 0.172 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.451 -3.834 2.438 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.073 -3.817 1.756 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.577 -1.561 3.402 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.718 -2.440 2.715 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.219 0.225 4.996 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.363 -0.656 4.305 1.00 0.00 H ATOM 114 HZ PHE A 7 5.614 0.677 5.449 1.00 0.00 H ATOM 115 N TYR A 8 3.497 -0.215 0.961 1.00 0.00 N ATOM 116 CA TYR A 8 2.758 1.058 1.168 1.00 0.00 C ATOM 117 C TYR A 8 2.004 1.412 -0.114 1.00 0.00 C ATOM 118 O TYR A 8 0.989 2.082 -0.091 1.00 0.00 O ATOM 119 CB TYR A 8 3.821 2.106 1.483 1.00 0.00 C ATOM 120 CG TYR A 8 3.170 3.279 2.175 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.493 3.090 3.386 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.237 4.554 1.602 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.883 4.178 4.025 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.626 5.641 2.239 1.00 0.00 C ATOM 125 CZ TYR A 8 1.950 5.454 3.451 1.00 0.00 C ATOM 126 OH TYR A 8 1.347 6.526 4.079 1.00 0.00 O ATOM 127 H TYR A 8 4.463 -0.201 0.841 1.00 0.00 H ATOM 128 HA TYR A 8 2.079 0.961 1.993 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.571 1.674 2.129 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.281 2.439 0.567 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.441 2.106 3.829 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.760 4.699 0.668 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.362 4.033 4.959 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.678 6.625 1.796 1.00 0.00 H ATOM 135 HH TYR A 8 0.396 6.392 4.046 1.00 0.00 H ATOM 136 N ASP A 9 2.489 0.946 -1.233 1.00 0.00 N ATOM 137 CA ASP A 9 1.801 1.229 -2.516 1.00 0.00 C ATOM 138 C ASP A 9 0.624 0.268 -2.687 1.00 0.00 C ATOM 139 O ASP A 9 -0.512 0.678 -2.829 1.00 0.00 O ATOM 140 CB ASP A 9 2.851 0.985 -3.598 1.00 0.00 C ATOM 141 CG ASP A 9 3.853 2.142 -3.611 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.525 3.192 -3.085 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.932 1.957 -4.152 1.00 0.00 O ATOM 144 H ASP A 9 3.296 0.400 -1.225 1.00 0.00 H ATOM 145 HA ASP A 9 1.469 2.248 -2.546 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.368 0.061 -3.392 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.365 0.921 -4.560 1.00 0.00 H ATOM 148 N LYS A 10 0.885 -1.013 -2.666 1.00 0.00 N ATOM 149 CA LYS A 10 -0.218 -2.000 -2.818 1.00 0.00 C ATOM 150 C LYS A 10 -1.281 -1.757 -1.746 1.00 0.00 C ATOM 151 O LYS A 10 -2.463 -1.706 -2.028 1.00 0.00 O ATOM 152 CB LYS A 10 0.436 -3.368 -2.628 1.00 0.00 C ATOM 153 CG LYS A 10 -0.425 -4.447 -3.290 1.00 0.00 C ATOM 154 CD LYS A 10 -1.205 -5.207 -2.215 1.00 0.00 C ATOM 155 CE LYS A 10 -0.394 -6.422 -1.763 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.946 -7.564 -2.544 1.00 0.00 N ATOM 157 H LYS A 10 1.807 -1.324 -2.542 1.00 0.00 H ATOM 158 HA LYS A 10 -0.648 -1.933 -3.801 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.415 -3.362 -3.080 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.525 -3.579 -1.573 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.117 -3.983 -3.978 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.210 -5.136 -3.825 1.00 0.00 H ATOM 163 HD2 LYS A 10 -1.385 -4.557 -1.372 1.00 0.00 H ATOM 164 HD3 LYS A 10 -2.148 -5.540 -2.622 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.654 -6.278 -1.992 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.530 -6.595 -0.707 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.640 -8.076 -1.964 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.172 -8.208 -2.809 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -1.410 -7.206 -3.402 1.00 0.00 H ATOM 170 N VAL A 11 -0.869 -1.597 -0.518 1.00 0.00 N ATOM 171 CA VAL A 11 -1.854 -1.349 0.569 1.00 0.00 C ATOM 172 C VAL A 11 -2.708 -0.135 0.224 1.00 0.00 C ATOM 173 O VAL A 11 -3.910 -0.138 0.393 1.00 0.00 O ATOM 174 CB VAL A 11 -1.014 -1.087 1.819 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.412 0.317 1.757 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.891 -1.211 3.065 1.00 0.00 C ATOM 177 H VAL A 11 0.088 -1.636 -0.313 1.00 0.00 H ATOM 178 HA VAL A 11 -2.474 -2.216 0.714 1.00 0.00 H ATOM 179 HB VAL A 11 -0.219 -1.808 1.865 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.210 0.481 2.623 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.205 1.049 1.738 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.183 0.407 0.864 1.00 0.00 H ATOM 183 HG21 VAL A 11 -1.704 -0.374 3.722 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.657 -2.131 3.580 1.00 0.00 H ATOM 185 HG23 VAL A 11 -2.930 -1.215 2.774 1.00 0.00 H ATOM 186 N ALA A 12 -2.094 0.904 -0.259 1.00 0.00 N ATOM 187 CA ALA A 12 -2.873 2.118 -0.616 1.00 0.00 C ATOM 188 C ALA A 12 -3.952 1.766 -1.636 1.00 0.00 C ATOM 189 O ALA A 12 -5.013 2.357 -1.661 1.00 0.00 O ATOM 190 CB ALA A 12 -1.863 3.088 -1.211 1.00 0.00 C ATOM 191 H ALA A 12 -1.121 0.884 -0.386 1.00 0.00 H ATOM 192 HA ALA A 12 -3.317 2.545 0.258 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.342 3.676 -1.978 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.043 2.533 -1.638 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.494 3.740 -0.433 1.00 0.00 H ATOM 196 N GLU A 13 -3.697 0.800 -2.471 1.00 0.00 N ATOM 197 CA GLU A 13 -4.716 0.409 -3.473 1.00 0.00 C ATOM 198 C GLU A 13 -5.856 -0.318 -2.768 1.00 0.00 C ATOM 199 O GLU A 13 -6.996 -0.276 -3.189 1.00 0.00 O ATOM 200 CB GLU A 13 -3.992 -0.520 -4.442 1.00 0.00 C ATOM 201 CG GLU A 13 -3.746 0.208 -5.766 1.00 0.00 C ATOM 202 CD GLU A 13 -4.669 -0.362 -6.844 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.608 -1.054 -6.487 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.418 -0.101 -8.009 1.00 0.00 O ATOM 205 H GLU A 13 -2.842 0.327 -2.430 1.00 0.00 H ATOM 206 HA GLU A 13 -5.080 1.271 -3.992 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.048 -0.817 -4.013 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.599 -1.393 -4.621 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.948 1.264 -5.639 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.718 0.072 -6.066 1.00 0.00 H ATOM 211 N LYS A 14 -5.557 -0.973 -1.682 1.00 0.00 N ATOM 212 CA LYS A 14 -6.622 -1.686 -0.943 1.00 0.00 C ATOM 213 C LYS A 14 -7.253 -0.741 0.064 1.00 0.00 C ATOM 214 O LYS A 14 -8.331 -0.974 0.567 1.00 0.00 O ATOM 215 CB LYS A 14 -5.935 -2.876 -0.258 1.00 0.00 C ATOM 216 CG LYS A 14 -5.271 -2.441 1.056 1.00 0.00 C ATOM 217 CD LYS A 14 -5.918 -3.188 2.222 1.00 0.00 C ATOM 218 CE LYS A 14 -5.353 -4.609 2.285 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.107 -4.487 3.090 1.00 0.00 N ATOM 220 H LYS A 14 -4.640 -0.980 -1.348 1.00 0.00 H ATOM 221 HA LYS A 14 -7.364 -2.030 -1.633 1.00 0.00 H ATOM 222 HB2 LYS A 14 -6.672 -3.638 -0.048 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.184 -3.282 -0.918 1.00 0.00 H ATOM 224 HG2 LYS A 14 -4.220 -2.680 1.019 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.391 -1.379 1.199 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.702 -2.671 3.147 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.986 -3.233 2.074 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.056 -5.272 2.769 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.119 -4.963 1.293 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -3.667 -5.424 3.194 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.339 -4.105 4.030 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -3.443 -3.848 2.609 1.00 0.00 H ATOM 233 N PHE A 15 -6.602 0.341 0.346 1.00 0.00 N ATOM 234 CA PHE A 15 -7.189 1.304 1.295 1.00 0.00 C ATOM 235 C PHE A 15 -8.227 2.125 0.546 1.00 0.00 C ATOM 236 O PHE A 15 -9.277 2.451 1.062 1.00 0.00 O ATOM 237 CB PHE A 15 -6.028 2.172 1.768 1.00 0.00 C ATOM 238 CG PHE A 15 -5.851 2.022 3.260 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.478 0.785 3.801 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.056 3.120 4.104 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.309 0.648 5.184 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.888 2.982 5.486 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.514 1.747 6.027 1.00 0.00 C ATOM 244 H PHE A 15 -5.742 0.527 -0.078 1.00 0.00 H ATOM 245 HA PHE A 15 -7.633 0.787 2.116 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.124 1.863 1.267 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.237 3.204 1.535 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.319 -0.064 3.152 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.345 4.074 3.688 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.020 -0.305 5.602 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.046 3.830 6.137 1.00 0.00 H ATOM 252 HZ PHE A 15 -5.383 1.641 7.093 1.00 0.00 H ATOM 253 N LYS A 16 -7.946 2.424 -0.690 1.00 0.00 N ATOM 254 CA LYS A 16 -8.914 3.195 -1.503 1.00 0.00 C ATOM 255 C LYS A 16 -9.904 2.231 -2.141 1.00 0.00 C ATOM 256 O LYS A 16 -10.974 2.612 -2.576 1.00 0.00 O ATOM 257 CB LYS A 16 -8.085 3.903 -2.572 1.00 0.00 C ATOM 258 CG LYS A 16 -7.513 5.204 -2.004 1.00 0.00 C ATOM 259 CD LYS A 16 -8.612 6.266 -1.960 1.00 0.00 C ATOM 260 CE LYS A 16 -8.062 7.547 -1.331 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.579 7.541 0.065 1.00 0.00 N ATOM 262 H LYS A 16 -7.109 2.113 -1.089 1.00 0.00 H ATOM 263 HA LYS A 16 -9.422 3.912 -0.894 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.277 3.258 -2.883 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.714 4.129 -3.418 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.140 5.028 -1.004 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.707 5.549 -2.633 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.950 6.474 -2.966 1.00 0.00 H ATOM 269 HD3 LYS A 16 -9.439 5.905 -1.370 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.979 7.533 -1.335 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.429 8.415 -1.857 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.261 8.398 0.559 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.219 6.700 0.562 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -9.617 7.517 0.050 1.00 0.00 H ATOM 275 N GLU A 17 -9.551 0.978 -2.192 1.00 0.00 N ATOM 276 CA GLU A 17 -10.461 -0.025 -2.788 1.00 0.00 C ATOM 277 C GLU A 17 -11.188 -0.785 -1.683 1.00 0.00 C ATOM 278 O GLU A 17 -12.401 -0.840 -1.644 1.00 0.00 O ATOM 279 CB GLU A 17 -9.555 -0.959 -3.589 1.00 0.00 C ATOM 280 CG GLU A 17 -10.409 -1.889 -4.449 1.00 0.00 C ATOM 281 CD GLU A 17 -9.534 -3.010 -5.010 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.934 -2.803 -6.052 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.480 -4.059 -4.389 1.00 0.00 O ATOM 284 H GLU A 17 -8.687 0.695 -1.832 1.00 0.00 H ATOM 285 HA GLU A 17 -11.159 0.455 -3.433 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.906 -0.372 -4.224 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.957 -1.549 -2.911 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.198 -2.314 -3.846 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.841 -1.329 -5.266 1.00 0.00 H ATOM 290 N ALA A 18 -10.453 -1.367 -0.779 1.00 0.00 N ATOM 291 CA ALA A 18 -11.095 -2.117 0.328 1.00 0.00 C ATOM 292 C ALA A 18 -11.737 -1.141 1.312 1.00 0.00 C ATOM 293 O ALA A 18 -12.593 -1.506 2.093 1.00 0.00 O ATOM 294 CB ALA A 18 -9.959 -2.881 1.001 1.00 0.00 C ATOM 295 H ALA A 18 -9.482 -1.305 -0.829 1.00 0.00 H ATOM 296 HA ALA A 18 -11.825 -2.803 -0.060 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.527 -2.270 1.779 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.202 -3.116 0.267 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.343 -3.793 1.429 1.00 0.00 H ATOM 300 N PHE A 19 -11.331 0.098 1.282 1.00 0.00 N ATOM 301 CA PHE A 19 -11.923 1.087 2.217 1.00 0.00 C ATOM 302 C PHE A 19 -12.351 2.349 1.465 1.00 0.00 C ATOM 303 O PHE A 19 -13.036 3.195 2.005 1.00 0.00 O ATOM 304 CB PHE A 19 -10.816 1.405 3.217 1.00 0.00 C ATOM 305 CG PHE A 19 -10.891 0.443 4.379 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.127 0.155 4.974 1.00 0.00 C ATOM 307 CD2 PHE A 19 -9.724 -0.162 4.863 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.193 -0.739 6.052 1.00 0.00 C ATOM 309 CE2 PHE A 19 -9.792 -1.054 5.939 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.026 -1.342 6.533 1.00 0.00 C ATOM 311 H PHE A 19 -10.640 0.377 0.647 1.00 0.00 H ATOM 312 HA PHE A 19 -12.756 0.653 2.725 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.857 1.309 2.732 1.00 0.00 H ATOM 314 HB3 PHE A 19 -10.941 2.415 3.580 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.026 0.621 4.604 1.00 0.00 H ATOM 316 HD2 PHE A 19 -8.771 0.060 4.406 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.146 -0.961 6.511 1.00 0.00 H ATOM 318 HE2 PHE A 19 -8.891 -1.520 6.312 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.078 -2.032 7.364 1.00 0.00 H HETATM 320 N NH2 A 20 -11.973 2.511 0.227 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.241 3.314 -0.265 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.420 1.830 -0.210 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 19 HETATM 1 C ACE A 1 12.210 -1.296 -0.333 1.00 0.00 C HETATM 2 O ACE A 1 11.262 -0.537 -0.294 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.192 -1.398 0.825 1.00 0.00 C HETATM 4 H1 ACE A 1 12.640 -1.471 1.752 1.00 0.00 H HETATM 5 H2 ACE A 1 13.818 -0.523 0.843 1.00 0.00 H HETATM 6 H3 ACE A 1 13.800 -2.280 0.698 1.00 0.00 H ATOM 7 N ASP A 2 12.399 -2.092 -1.343 1.00 0.00 N ATOM 8 CA ASP A 2 11.448 -2.081 -2.466 1.00 0.00 C ATOM 9 C ASP A 2 10.191 -2.702 -1.914 1.00 0.00 C ATOM 10 O ASP A 2 9.091 -2.309 -2.221 1.00 0.00 O ATOM 11 CB ASP A 2 12.076 -2.956 -3.551 1.00 0.00 C ATOM 12 CG ASP A 2 11.021 -3.310 -4.603 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.238 -4.211 -4.349 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.015 -2.676 -5.646 1.00 0.00 O ATOM 15 H ASP A 2 13.129 -2.727 -1.334 1.00 0.00 H ATOM 16 HA ASP A 2 11.275 -1.079 -2.818 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.886 -2.417 -4.022 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.457 -3.863 -3.106 1.00 0.00 H ATOM 19 N TRP A 3 10.390 -3.651 -1.043 1.00 0.00 N ATOM 20 CA TRP A 3 9.267 -4.324 -0.368 1.00 0.00 C ATOM 21 C TRP A 3 8.586 -3.319 0.570 1.00 0.00 C ATOM 22 O TRP A 3 7.449 -3.485 0.956 1.00 0.00 O ATOM 23 CB TRP A 3 9.944 -5.429 0.448 1.00 0.00 C ATOM 24 CG TRP A 3 10.931 -4.755 1.331 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.596 -3.946 2.349 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.386 -4.789 1.292 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.730 -3.414 2.890 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.872 -3.928 2.304 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.324 -5.461 0.486 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.239 -3.735 2.509 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.701 -5.277 0.695 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.157 -4.415 1.705 1.00 0.00 C ATOM 33 H TRP A 3 11.305 -3.897 -0.805 1.00 0.00 H ATOM 34 HA TRP A 3 8.587 -4.735 -1.075 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.207 -5.953 1.043 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.449 -6.119 -0.209 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.588 -3.700 2.646 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.737 -2.769 3.612 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.983 -6.125 -0.293 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.584 -3.071 3.287 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.414 -5.800 0.076 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.217 -4.279 1.860 1.00 0.00 H ATOM 43 N PHE A 4 9.302 -2.280 0.948 1.00 0.00 N ATOM 44 CA PHE A 4 8.738 -1.262 1.871 1.00 0.00 C ATOM 45 C PHE A 4 7.837 -0.344 1.078 1.00 0.00 C ATOM 46 O PHE A 4 6.653 -0.253 1.318 1.00 0.00 O ATOM 47 CB PHE A 4 9.945 -0.502 2.420 1.00 0.00 C ATOM 48 CG PHE A 4 9.499 0.448 3.509 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.694 1.550 3.191 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.892 0.230 4.836 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.282 2.431 4.199 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.478 1.112 5.844 1.00 0.00 C ATOM 53 CZ PHE A 4 8.674 2.212 5.525 1.00 0.00 C ATOM 54 H PHE A 4 10.217 -2.178 0.627 1.00 0.00 H ATOM 55 HA PHE A 4 8.203 -1.736 2.668 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.655 -1.205 2.827 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.409 0.058 1.623 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.392 1.720 2.169 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.513 -0.618 5.084 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.662 3.280 3.954 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.782 0.942 6.866 1.00 0.00 H ATOM 62 HZ PHE A 4 8.356 2.891 6.302 1.00 0.00 H ATOM 63 N LYS A 5 8.386 0.296 0.091 1.00 0.00 N ATOM 64 CA LYS A 5 7.548 1.158 -0.764 1.00 0.00 C ATOM 65 C LYS A 5 6.613 0.245 -1.552 1.00 0.00 C ATOM 66 O LYS A 5 5.672 0.686 -2.183 1.00 0.00 O ATOM 67 CB LYS A 5 8.515 1.885 -1.694 1.00 0.00 C ATOM 68 CG LYS A 5 9.169 3.049 -0.947 1.00 0.00 C ATOM 69 CD LYS A 5 8.094 4.049 -0.516 1.00 0.00 C ATOM 70 CE LYS A 5 8.763 5.351 -0.067 1.00 0.00 C ATOM 71 NZ LYS A 5 9.036 6.094 -1.328 1.00 0.00 N ATOM 72 H LYS A 5 9.335 0.171 -0.109 1.00 0.00 H ATOM 73 HA LYS A 5 6.997 1.860 -0.170 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.277 1.197 -2.029 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.973 2.266 -2.546 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.682 2.672 -0.074 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.876 3.541 -1.597 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.434 4.250 -1.348 1.00 0.00 H ATOM 79 HD3 LYS A 5 7.526 3.639 0.304 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.095 5.915 0.570 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.688 5.142 0.447 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.223 7.092 -1.109 1.00 0.00 H ATOM 83 HZ2 LYS A 5 8.210 6.024 -1.957 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.867 5.684 -1.799 1.00 0.00 H ATOM 85 N ALA A 6 6.870 -1.042 -1.508 1.00 0.00 N ATOM 86 CA ALA A 6 6.005 -2.000 -2.241 1.00 0.00 C ATOM 87 C ALA A 6 4.707 -2.230 -1.469 1.00 0.00 C ATOM 88 O ALA A 6 3.639 -2.309 -2.041 1.00 0.00 O ATOM 89 CB ALA A 6 6.821 -3.282 -2.321 1.00 0.00 C ATOM 90 H ALA A 6 7.635 -1.380 -0.984 1.00 0.00 H ATOM 91 HA ALA A 6 5.803 -1.639 -3.227 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.437 -3.363 -1.442 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.454 -3.249 -3.198 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.162 -4.129 -2.382 1.00 0.00 H ATOM 95 N PHE A 7 4.787 -2.332 -0.169 1.00 0.00 N ATOM 96 CA PHE A 7 3.555 -2.550 0.628 1.00 0.00 C ATOM 97 C PHE A 7 2.836 -1.219 0.840 1.00 0.00 C ATOM 98 O PHE A 7 1.625 -1.150 0.840 1.00 0.00 O ATOM 99 CB PHE A 7 4.025 -3.169 1.955 1.00 0.00 C ATOM 100 CG PHE A 7 4.569 -2.105 2.888 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.695 -1.198 3.496 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.945 -2.034 3.155 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.188 -0.222 4.368 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.438 -1.056 4.029 1.00 0.00 C ATOM 105 CZ PHE A 7 5.560 -0.149 4.635 1.00 0.00 C ATOM 106 H PHE A 7 5.650 -2.262 0.278 1.00 0.00 H ATOM 107 HA PHE A 7 2.911 -3.235 0.113 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.190 -3.663 2.431 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.799 -3.895 1.753 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.641 -1.253 3.293 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.626 -2.732 2.691 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.510 0.477 4.836 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.496 -1.001 4.236 1.00 0.00 H ATOM 114 HZ PHE A 7 5.940 0.605 5.308 1.00 0.00 H ATOM 115 N TYR A 8 3.571 -0.158 1.002 1.00 0.00 N ATOM 116 CA TYR A 8 2.925 1.166 1.195 1.00 0.00 C ATOM 117 C TYR A 8 2.165 1.554 -0.075 1.00 0.00 C ATOM 118 O TYR A 8 1.154 2.230 -0.029 1.00 0.00 O ATOM 119 CB TYR A 8 4.080 2.135 1.453 1.00 0.00 C ATOM 120 CG TYR A 8 3.541 3.535 1.624 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.257 3.729 2.144 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.325 4.639 1.263 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.755 5.026 2.307 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.823 5.937 1.426 1.00 0.00 C ATOM 125 CZ TYR A 8 2.538 6.129 1.947 1.00 0.00 C ATOM 126 OH TYR A 8 2.043 7.407 2.106 1.00 0.00 O ATOM 127 H TYR A 8 4.542 -0.229 0.984 1.00 0.00 H ATOM 128 HA TYR A 8 2.263 1.140 2.042 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.602 1.838 2.351 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.761 2.112 0.616 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.653 2.878 2.422 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.316 4.489 0.861 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.765 5.174 2.709 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.426 6.788 1.149 1.00 0.00 H ATOM 135 HH TYR A 8 1.339 7.374 2.759 1.00 0.00 H ATOM 136 N ASP A 9 2.644 1.124 -1.209 1.00 0.00 N ATOM 137 CA ASP A 9 1.956 1.463 -2.480 1.00 0.00 C ATOM 138 C ASP A 9 0.741 0.558 -2.684 1.00 0.00 C ATOM 139 O ASP A 9 -0.385 1.012 -2.728 1.00 0.00 O ATOM 140 CB ASP A 9 2.996 1.218 -3.570 1.00 0.00 C ATOM 141 CG ASP A 9 3.795 2.499 -3.810 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.183 3.502 -4.135 1.00 0.00 O ATOM 143 OD2 ASP A 9 5.006 2.456 -3.662 1.00 0.00 O ATOM 144 H ASP A 9 3.454 0.576 -1.223 1.00 0.00 H ATOM 145 HA ASP A 9 1.667 2.494 -2.482 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.663 0.428 -3.257 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.497 0.929 -4.483 1.00 0.00 H ATOM 148 N LYS A 10 0.964 -0.719 -2.812 1.00 0.00 N ATOM 149 CA LYS A 10 -0.170 -1.659 -3.020 1.00 0.00 C ATOM 150 C LYS A 10 -1.194 -1.533 -1.887 1.00 0.00 C ATOM 151 O LYS A 10 -2.385 -1.633 -2.110 1.00 0.00 O ATOM 152 CB LYS A 10 0.461 -3.049 -3.030 1.00 0.00 C ATOM 153 CG LYS A 10 1.212 -3.261 -4.349 1.00 0.00 C ATOM 154 CD LYS A 10 2.050 -4.539 -4.262 1.00 0.00 C ATOM 155 CE LYS A 10 1.355 -5.661 -5.038 1.00 0.00 C ATOM 156 NZ LYS A 10 1.538 -5.305 -6.473 1.00 0.00 N ATOM 157 H LYS A 10 1.881 -1.060 -2.779 1.00 0.00 H ATOM 158 HA LYS A 10 -0.640 -1.470 -3.970 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.151 -3.138 -2.205 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.313 -3.796 -2.937 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.499 -3.352 -5.157 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.861 -2.418 -4.533 1.00 0.00 H ATOM 163 HD2 LYS A 10 3.027 -4.356 -4.688 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.156 -4.830 -3.228 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.823 -6.612 -4.822 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.305 -5.692 -4.796 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.955 -5.933 -7.063 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.539 -5.415 -6.732 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.246 -4.319 -6.626 1.00 0.00 H ATOM 170 N VAL A 11 -0.756 -1.310 -0.673 1.00 0.00 N ATOM 171 CA VAL A 11 -1.738 -1.182 0.441 1.00 0.00 C ATOM 172 C VAL A 11 -2.619 0.039 0.217 1.00 0.00 C ATOM 173 O VAL A 11 -3.820 -0.024 0.351 1.00 0.00 O ATOM 174 CB VAL A 11 -0.916 -1.027 1.721 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.311 0.377 1.796 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.828 -1.254 2.929 1.00 0.00 C ATOM 177 H VAL A 11 0.203 -1.228 -0.498 1.00 0.00 H ATOM 178 HA VAL A 11 -2.343 -2.068 0.501 1.00 0.00 H ATOM 179 HB VAL A 11 -0.128 -1.754 1.724 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.316 0.451 2.672 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.103 1.108 1.858 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.282 0.562 0.912 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.547 -2.026 2.696 1.00 0.00 H ATOM 184 HG22 VAL A 11 -2.348 -0.338 3.166 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.233 -1.561 3.777 1.00 0.00 H ATOM 186 N ALA A 12 -2.035 1.150 -0.132 1.00 0.00 N ATOM 187 CA ALA A 12 -2.860 2.366 -0.374 1.00 0.00 C ATOM 188 C ALA A 12 -3.905 2.077 -1.448 1.00 0.00 C ATOM 189 O ALA A 12 -4.991 2.622 -1.435 1.00 0.00 O ATOM 190 CB ALA A 12 -1.881 3.434 -0.842 1.00 0.00 C ATOM 191 H ALA A 12 -1.059 1.181 -0.238 1.00 0.00 H ATOM 192 HA ALA A 12 -3.339 2.681 0.531 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.885 3.168 -0.525 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.157 4.384 -0.407 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.915 3.506 -1.916 1.00 0.00 H ATOM 196 N GLU A 13 -3.597 1.207 -2.371 1.00 0.00 N ATOM 197 CA GLU A 13 -4.589 0.874 -3.421 1.00 0.00 C ATOM 198 C GLU A 13 -5.594 -0.121 -2.849 1.00 0.00 C ATOM 199 O GLU A 13 -6.718 -0.228 -3.301 1.00 0.00 O ATOM 200 CB GLU A 13 -3.789 0.250 -4.560 1.00 0.00 C ATOM 201 CG GLU A 13 -4.487 0.540 -5.892 1.00 0.00 C ATOM 202 CD GLU A 13 -5.273 -0.694 -6.337 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.771 -1.399 -5.474 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.364 -0.916 -7.534 1.00 0.00 O ATOM 205 H GLU A 13 -2.728 0.764 -2.360 1.00 0.00 H ATOM 206 HA GLU A 13 -5.082 1.763 -3.758 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.796 0.674 -4.572 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.727 -0.816 -4.412 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.162 1.375 -5.770 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.747 0.782 -6.640 1.00 0.00 H ATOM 211 N LYS A 14 -5.201 -0.824 -1.821 1.00 0.00 N ATOM 212 CA LYS A 14 -6.116 -1.781 -1.185 1.00 0.00 C ATOM 213 C LYS A 14 -6.947 -1.015 -0.182 1.00 0.00 C ATOM 214 O LYS A 14 -8.045 -1.390 0.135 1.00 0.00 O ATOM 215 CB LYS A 14 -5.220 -2.804 -0.497 1.00 0.00 C ATOM 216 CG LYS A 14 -5.615 -4.214 -0.938 1.00 0.00 C ATOM 217 CD LYS A 14 -5.233 -4.415 -2.406 1.00 0.00 C ATOM 218 CE LYS A 14 -5.194 -5.910 -2.729 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.418 -5.989 -4.200 1.00 0.00 N ATOM 220 H LYS A 14 -4.318 -0.698 -1.448 1.00 0.00 H ATOM 221 HA LYS A 14 -6.734 -2.252 -1.917 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.192 -2.616 -0.768 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.335 -2.717 0.572 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.097 -4.939 -0.327 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.681 -4.342 -0.823 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.964 -3.929 -3.037 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.259 -3.985 -2.588 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.229 -6.325 -2.470 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.981 -6.429 -2.206 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.430 -6.986 -4.497 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.653 -5.488 -4.695 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.330 -5.550 -4.436 1.00 0.00 H ATOM 233 N PHE A 15 -6.424 0.087 0.286 1.00 0.00 N ATOM 234 CA PHE A 15 -7.173 0.931 1.242 1.00 0.00 C ATOM 235 C PHE A 15 -8.211 1.710 0.449 1.00 0.00 C ATOM 236 O PHE A 15 -9.304 1.981 0.910 1.00 0.00 O ATOM 237 CB PHE A 15 -6.122 1.861 1.855 1.00 0.00 C ATOM 238 CG PHE A 15 -6.706 2.646 3.012 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.856 2.196 3.677 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.083 3.833 3.421 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.377 2.932 4.749 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.605 4.567 4.493 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.753 4.117 5.155 1.00 0.00 C ATOM 244 H PHE A 15 -5.545 0.373 -0.018 1.00 0.00 H ATOM 245 HA PHE A 15 -7.630 0.328 1.992 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.290 1.272 2.208 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.775 2.549 1.097 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.339 1.284 3.367 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.198 4.181 2.911 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.262 2.585 5.262 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.123 5.481 4.808 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.155 4.683 5.983 1.00 0.00 H ATOM 253 N LYS A 16 -7.875 2.038 -0.769 1.00 0.00 N ATOM 254 CA LYS A 16 -8.834 2.764 -1.637 1.00 0.00 C ATOM 255 C LYS A 16 -9.929 1.795 -2.067 1.00 0.00 C ATOM 256 O LYS A 16 -11.066 2.169 -2.275 1.00 0.00 O ATOM 257 CB LYS A 16 -8.019 3.231 -2.839 1.00 0.00 C ATOM 258 CG LYS A 16 -8.056 4.757 -2.932 1.00 0.00 C ATOM 259 CD LYS A 16 -7.769 5.364 -1.557 1.00 0.00 C ATOM 260 CE LYS A 16 -6.666 6.415 -1.684 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.394 6.856 -0.287 1.00 0.00 N ATOM 262 H LYS A 16 -6.995 1.779 -1.119 1.00 0.00 H ATOM 263 HA LYS A 16 -9.249 3.604 -1.118 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.997 2.903 -2.726 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.436 2.809 -3.738 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.308 5.092 -3.637 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.034 5.074 -3.267 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.668 5.826 -1.175 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.449 4.586 -0.880 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.779 5.977 -2.123 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.008 7.250 -2.274 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.809 6.144 0.192 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.295 6.965 0.222 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.889 7.764 -0.301 1.00 0.00 H ATOM 275 N GLU A 17 -9.590 0.539 -2.180 1.00 0.00 N ATOM 276 CA GLU A 17 -10.600 -0.474 -2.571 1.00 0.00 C ATOM 277 C GLU A 17 -11.134 -1.155 -1.312 1.00 0.00 C ATOM 278 O GLU A 17 -12.181 -1.772 -1.313 1.00 0.00 O ATOM 279 CB GLU A 17 -9.849 -1.472 -3.459 1.00 0.00 C ATOM 280 CG GLU A 17 -10.591 -2.812 -3.476 1.00 0.00 C ATOM 281 CD GLU A 17 -9.899 -3.769 -4.447 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.385 -3.298 -5.448 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.895 -4.958 -4.174 1.00 0.00 O ATOM 284 H GLU A 17 -8.671 0.261 -1.992 1.00 0.00 H ATOM 285 HA GLU A 17 -11.396 -0.012 -3.120 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.785 -1.083 -4.464 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.853 -1.621 -3.067 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.586 -3.238 -2.483 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.611 -2.653 -3.794 1.00 0.00 H ATOM 290 N ALA A 18 -10.416 -1.030 -0.233 1.00 0.00 N ATOM 291 CA ALA A 18 -10.858 -1.647 1.040 1.00 0.00 C ATOM 292 C ALA A 18 -12.099 -0.918 1.544 1.00 0.00 C ATOM 293 O ALA A 18 -12.990 -1.506 2.125 1.00 0.00 O ATOM 294 CB ALA A 18 -9.680 -1.450 1.994 1.00 0.00 C ATOM 295 H ALA A 18 -9.585 -0.520 -0.259 1.00 0.00 H ATOM 296 HA ALA A 18 -11.056 -2.695 0.905 1.00 0.00 H ATOM 297 HB1 ALA A 18 -8.944 -2.225 1.822 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.020 -1.494 3.014 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.228 -0.487 1.805 1.00 0.00 H ATOM 300 N PHE A 19 -12.166 0.364 1.310 1.00 0.00 N ATOM 301 CA PHE A 19 -13.347 1.141 1.756 1.00 0.00 C ATOM 302 C PHE A 19 -14.343 1.281 0.603 1.00 0.00 C ATOM 303 O PHE A 19 -15.085 2.241 0.529 1.00 0.00 O ATOM 304 CB PHE A 19 -12.795 2.500 2.166 1.00 0.00 C ATOM 305 CG PHE A 19 -12.564 2.512 3.657 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.740 1.544 4.245 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.177 3.487 4.453 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.529 1.552 5.629 1.00 0.00 C ATOM 309 CE2 PHE A 19 -12.966 3.495 5.837 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.141 2.527 6.425 1.00 0.00 C ATOM 311 H PHE A 19 -11.440 0.813 0.833 1.00 0.00 H ATOM 312 HA PHE A 19 -13.806 0.666 2.595 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.864 2.680 1.653 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.507 3.269 1.907 1.00 0.00 H ATOM 315 HD1 PHE A 19 -11.268 0.792 3.630 1.00 0.00 H ATOM 316 HD2 PHE A 19 -13.813 4.232 4.000 1.00 0.00 H ATOM 317 HE1 PHE A 19 -10.892 0.806 6.083 1.00 0.00 H ATOM 318 HE2 PHE A 19 -13.438 4.246 6.451 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.979 2.533 7.493 1.00 0.00 H HETATM 320 N NH2 A 20 -14.388 0.351 -0.312 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -15.019 0.426 -1.058 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.790 -0.424 -0.254 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 20 HETATM 1 C ACE A 1 12.324 -0.888 -0.495 1.00 0.00 C HETATM 2 O ACE A 1 11.288 -0.277 -0.323 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.350 -1.029 0.620 1.00 0.00 C HETATM 4 H1 ACE A 1 13.163 -0.282 1.373 1.00 0.00 H HETATM 5 H2 ACE A 1 14.340 -0.900 0.213 1.00 0.00 H HETATM 6 H3 ACE A 1 13.264 -2.013 1.058 1.00 0.00 H ATOM 7 N ASP A 2 12.576 -1.485 -1.622 1.00 0.00 N ATOM 8 CA ASP A 2 11.588 -1.417 -2.707 1.00 0.00 C ATOM 9 C ASP A 2 10.376 -2.158 -2.198 1.00 0.00 C ATOM 10 O ASP A 2 9.252 -1.770 -2.411 1.00 0.00 O ATOM 11 CB ASP A 2 12.229 -2.138 -3.891 1.00 0.00 C ATOM 12 CG ASP A 2 13.236 -1.208 -4.571 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.385 -1.213 -4.164 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.839 -0.507 -5.489 1.00 0.00 O ATOM 15 H ASP A 2 13.381 -2.007 -1.733 1.00 0.00 H ATOM 16 HA ASP A 2 11.353 -0.399 -2.956 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.737 -3.022 -3.537 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.465 -2.417 -4.598 1.00 0.00 H ATOM 19 N TRP A 3 10.635 -3.212 -1.471 1.00 0.00 N ATOM 20 CA TRP A 3 9.550 -4.013 -0.868 1.00 0.00 C ATOM 21 C TRP A 3 8.855 -3.182 0.232 1.00 0.00 C ATOM 22 O TRP A 3 7.783 -3.511 0.693 1.00 0.00 O ATOM 23 CB TRP A 3 10.263 -5.233 -0.254 1.00 0.00 C ATOM 24 CG TRP A 3 10.759 -4.839 1.094 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.436 -3.704 1.338 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.608 -5.514 2.375 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.663 -3.597 2.682 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.199 -4.702 3.372 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.019 -6.729 2.768 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.206 -5.082 4.714 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.029 -7.116 4.118 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.621 -6.295 5.090 1.00 0.00 C ATOM 33 H TRP A 3 11.564 -3.460 -1.301 1.00 0.00 H ATOM 34 HA TRP A 3 8.861 -4.324 -1.615 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.568 -6.056 -0.163 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.095 -5.523 -0.878 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.716 -2.970 0.600 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.106 -2.845 3.107 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.559 -7.367 2.028 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.663 -4.444 5.456 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.579 -8.053 4.410 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.627 -6.599 6.125 1.00 0.00 H ATOM 43 N PHE A 4 9.494 -2.116 0.659 1.00 0.00 N ATOM 44 CA PHE A 4 8.934 -1.260 1.735 1.00 0.00 C ATOM 45 C PHE A 4 7.884 -0.352 1.134 1.00 0.00 C ATOM 46 O PHE A 4 6.713 -0.437 1.442 1.00 0.00 O ATOM 47 CB PHE A 4 10.130 -0.452 2.234 1.00 0.00 C ATOM 48 CG PHE A 4 9.801 0.200 3.551 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.931 -0.523 4.740 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.372 1.531 3.582 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.631 0.085 5.965 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.070 2.140 4.805 1.00 0.00 C ATOM 53 CZ PHE A 4 9.200 1.417 5.997 1.00 0.00 C ATOM 54 H PHE A 4 10.355 -1.884 0.272 1.00 0.00 H ATOM 55 HA PHE A 4 8.530 -1.859 2.526 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.975 -1.111 2.364 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.377 0.308 1.509 1.00 0.00 H ATOM 58 HD1 PHE A 4 10.262 -1.551 4.715 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.273 2.088 2.662 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.731 -0.473 6.884 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.738 3.167 4.829 1.00 0.00 H ATOM 62 HZ PHE A 4 8.968 1.886 6.941 1.00 0.00 H ATOM 63 N LYS A 5 8.298 0.476 0.225 1.00 0.00 N ATOM 64 CA LYS A 5 7.324 1.346 -0.457 1.00 0.00 C ATOM 65 C LYS A 5 6.466 0.453 -1.352 1.00 0.00 C ATOM 66 O LYS A 5 5.472 0.873 -1.910 1.00 0.00 O ATOM 67 CB LYS A 5 8.157 2.326 -1.278 1.00 0.00 C ATOM 68 CG LYS A 5 8.519 3.538 -0.413 1.00 0.00 C ATOM 69 CD LYS A 5 8.344 4.819 -1.229 1.00 0.00 C ATOM 70 CE LYS A 5 9.243 5.917 -0.655 1.00 0.00 C ATOM 71 NZ LYS A 5 10.615 5.591 -1.138 1.00 0.00 N ATOM 72 H LYS A 5 9.240 0.486 -0.035 1.00 0.00 H ATOM 73 HA LYS A 5 6.719 1.873 0.257 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.059 1.837 -1.611 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.587 2.655 -2.134 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.872 3.570 0.452 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.546 3.457 -0.090 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.617 4.631 -2.257 1.00 0.00 H ATOM 79 HD3 LYS A 5 7.315 5.139 -1.182 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.932 6.887 -1.022 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.218 5.897 0.423 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.643 4.607 -1.473 1.00 0.00 H ATOM 83 HZ2 LYS A 5 11.293 5.712 -0.359 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.868 6.228 -1.919 1.00 0.00 H ATOM 85 N ALA A 6 6.851 -0.800 -1.478 1.00 0.00 N ATOM 86 CA ALA A 6 6.070 -1.744 -2.315 1.00 0.00 C ATOM 87 C ALA A 6 4.873 -2.265 -1.526 1.00 0.00 C ATOM 88 O ALA A 6 3.817 -2.495 -2.072 1.00 0.00 O ATOM 89 CB ALA A 6 7.042 -2.865 -2.633 1.00 0.00 C ATOM 90 H ALA A 6 7.659 -1.123 -1.012 1.00 0.00 H ATOM 91 HA ALA A 6 5.748 -1.270 -3.217 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.499 -3.773 -2.839 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.688 -3.012 -1.787 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.636 -2.592 -3.495 1.00 0.00 H ATOM 95 N PHE A 7 5.022 -2.437 -0.240 1.00 0.00 N ATOM 96 CA PHE A 7 3.876 -2.918 0.566 1.00 0.00 C ATOM 97 C PHE A 7 2.993 -1.722 0.917 1.00 0.00 C ATOM 98 O PHE A 7 1.787 -1.834 1.025 1.00 0.00 O ATOM 99 CB PHE A 7 4.482 -3.582 1.813 1.00 0.00 C ATOM 100 CG PHE A 7 4.952 -2.542 2.809 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.023 -1.739 3.479 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.321 -2.393 3.073 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.456 -0.787 4.407 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.753 -1.442 4.003 1.00 0.00 C ATOM 105 CZ PHE A 7 5.822 -0.638 4.670 1.00 0.00 C ATOM 106 H PHE A 7 5.873 -2.238 0.191 1.00 0.00 H ATOM 107 HA PHE A 7 3.315 -3.637 0.001 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.736 -4.206 2.280 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.321 -4.194 1.515 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.970 -1.854 3.277 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.043 -3.012 2.561 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.736 -0.166 4.919 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.808 -1.330 4.206 1.00 0.00 H ATOM 114 HZ PHE A 7 6.156 0.095 5.387 1.00 0.00 H ATOM 115 N TYR A 8 3.588 -0.568 1.062 1.00 0.00 N ATOM 116 CA TYR A 8 2.794 0.648 1.368 1.00 0.00 C ATOM 117 C TYR A 8 1.931 0.984 0.149 1.00 0.00 C ATOM 118 O TYR A 8 0.834 1.492 0.267 1.00 0.00 O ATOM 119 CB TYR A 8 3.838 1.743 1.640 1.00 0.00 C ATOM 120 CG TYR A 8 3.304 3.092 1.212 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.404 3.490 -0.127 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.704 3.937 2.151 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.904 4.734 -0.526 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.203 5.182 1.753 1.00 0.00 C ATOM 125 CZ TYR A 8 2.303 5.580 0.414 1.00 0.00 C ATOM 126 OH TYR A 8 1.809 6.808 0.020 1.00 0.00 O ATOM 127 H TYR A 8 4.555 -0.499 0.948 1.00 0.00 H ATOM 128 HA TYR A 8 2.182 0.488 2.239 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.063 1.767 2.696 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.738 1.522 1.087 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.868 2.837 -0.852 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.628 3.628 3.184 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.982 5.042 -1.558 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.740 5.834 2.478 1.00 0.00 H ATOM 135 HH TYR A 8 0.851 6.749 0.000 1.00 0.00 H ATOM 136 N ASP A 9 2.425 0.685 -1.022 1.00 0.00 N ATOM 137 CA ASP A 9 1.644 0.962 -2.254 1.00 0.00 C ATOM 138 C ASP A 9 0.529 -0.070 -2.375 1.00 0.00 C ATOM 139 O ASP A 9 -0.624 0.259 -2.567 1.00 0.00 O ATOM 140 CB ASP A 9 2.640 0.819 -3.404 1.00 0.00 C ATOM 141 CG ASP A 9 2.080 1.500 -4.653 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.020 2.719 -4.664 1.00 0.00 O ATOM 143 OD2 ASP A 9 1.719 0.792 -5.580 1.00 0.00 O ATOM 144 H ASP A 9 3.305 0.265 -1.088 1.00 0.00 H ATOM 145 HA ASP A 9 1.246 1.957 -2.229 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.575 1.282 -3.127 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.803 -0.228 -3.609 1.00 0.00 H ATOM 148 N LYS A 10 0.871 -1.322 -2.249 1.00 0.00 N ATOM 149 CA LYS A 10 -0.160 -2.393 -2.338 1.00 0.00 C ATOM 150 C LYS A 10 -1.305 -2.095 -1.364 1.00 0.00 C ATOM 151 O LYS A 10 -2.451 -1.985 -1.752 1.00 0.00 O ATOM 152 CB LYS A 10 0.569 -3.675 -1.932 1.00 0.00 C ATOM 153 CG LYS A 10 -0.432 -4.826 -1.846 1.00 0.00 C ATOM 154 CD LYS A 10 0.038 -5.979 -2.735 1.00 0.00 C ATOM 155 CE LYS A 10 -0.447 -5.747 -4.169 1.00 0.00 C ATOM 156 NZ LYS A 10 0.465 -6.565 -5.018 1.00 0.00 N ATOM 157 H LYS A 10 1.809 -1.557 -2.088 1.00 0.00 H ATOM 158 HA LYS A 10 -0.529 -2.480 -3.347 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.325 -3.907 -2.668 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.036 -3.534 -0.969 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.502 -5.166 -0.823 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.401 -4.487 -2.180 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.117 -6.026 -2.722 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.368 -6.908 -2.366 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.469 -6.082 -4.277 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.360 -4.704 -4.433 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.091 -6.609 -5.987 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.532 -7.527 -4.628 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.409 -6.130 -5.034 1.00 0.00 H ATOM 170 N VAL A 11 -1.003 -1.967 -0.101 1.00 0.00 N ATOM 171 CA VAL A 11 -2.078 -1.679 0.892 1.00 0.00 C ATOM 172 C VAL A 11 -2.846 -0.412 0.498 1.00 0.00 C ATOM 173 O VAL A 11 -4.060 -0.409 0.440 1.00 0.00 O ATOM 174 CB VAL A 11 -1.355 -1.489 2.230 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.768 -2.826 2.685 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.226 -0.469 2.071 1.00 0.00 C ATOM 177 H VAL A 11 -0.075 -2.064 0.195 1.00 0.00 H ATOM 178 HA VAL A 11 -2.753 -2.516 0.958 1.00 0.00 H ATOM 179 HB VAL A 11 -2.060 -1.136 2.970 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.504 -3.605 2.555 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.494 -2.761 3.728 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.106 -3.054 2.095 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.579 0.508 2.365 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.096 -0.441 1.042 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.606 -0.753 2.699 1.00 0.00 H ATOM 186 N ALA A 12 -2.157 0.663 0.221 1.00 0.00 N ATOM 187 CA ALA A 12 -2.866 1.913 -0.173 1.00 0.00 C ATOM 188 C ALA A 12 -3.858 1.621 -1.290 1.00 0.00 C ATOM 189 O ALA A 12 -4.903 2.233 -1.377 1.00 0.00 O ATOM 190 CB ALA A 12 -1.772 2.861 -0.650 1.00 0.00 C ATOM 191 H ALA A 12 -1.181 0.646 0.266 1.00 0.00 H ATOM 192 HA ALA A 12 -3.376 2.340 0.666 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.188 2.376 -1.417 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.136 3.119 0.183 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.225 3.755 -1.050 1.00 0.00 H ATOM 196 N GLU A 13 -3.560 0.676 -2.131 1.00 0.00 N ATOM 197 CA GLU A 13 -4.513 0.342 -3.213 1.00 0.00 C ATOM 198 C GLU A 13 -5.724 -0.338 -2.588 1.00 0.00 C ATOM 199 O GLU A 13 -6.838 -0.227 -3.066 1.00 0.00 O ATOM 200 CB GLU A 13 -3.763 -0.613 -4.140 1.00 0.00 C ATOM 201 CG GLU A 13 -4.737 -1.216 -5.153 1.00 0.00 C ATOM 202 CD GLU A 13 -4.560 -0.519 -6.501 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.057 0.586 -6.644 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.931 -1.101 -7.368 1.00 0.00 O ATOM 205 H GLU A 13 -2.727 0.177 -2.040 1.00 0.00 H ATOM 206 HA GLU A 13 -4.806 1.231 -3.741 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.990 -0.070 -4.663 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.317 -1.405 -3.558 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.536 -2.272 -5.262 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.751 -1.076 -4.807 1.00 0.00 H ATOM 211 N LYS A 14 -5.513 -1.025 -1.500 1.00 0.00 N ATOM 212 CA LYS A 14 -6.633 -1.694 -0.818 1.00 0.00 C ATOM 213 C LYS A 14 -7.353 -0.678 0.052 1.00 0.00 C ATOM 214 O LYS A 14 -8.503 -0.832 0.382 1.00 0.00 O ATOM 215 CB LYS A 14 -5.992 -2.790 0.027 1.00 0.00 C ATOM 216 CG LYS A 14 -7.021 -3.882 0.314 1.00 0.00 C ATOM 217 CD LYS A 14 -6.652 -5.149 -0.458 1.00 0.00 C ATOM 218 CE LYS A 14 -6.781 -6.364 0.463 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.511 -7.120 0.282 1.00 0.00 N ATOM 220 H LYS A 14 -4.618 -1.084 -1.122 1.00 0.00 H ATOM 221 HA LYS A 14 -7.301 -2.117 -1.535 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.157 -3.213 -0.512 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.646 -2.368 0.957 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.034 -4.095 1.374 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.999 -3.546 0.002 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.316 -5.262 -1.302 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.633 -5.072 -0.808 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.890 -6.045 1.491 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.620 -6.975 0.166 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.094 -6.885 -0.641 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.706 -8.141 0.326 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.843 -6.860 1.036 1.00 0.00 H ATOM 233 N PHE A 15 -6.696 0.381 0.407 1.00 0.00 N ATOM 234 CA PHE A 15 -7.379 1.405 1.223 1.00 0.00 C ATOM 235 C PHE A 15 -8.311 2.187 0.309 1.00 0.00 C ATOM 236 O PHE A 15 -9.389 2.599 0.692 1.00 0.00 O ATOM 237 CB PHE A 15 -6.271 2.304 1.772 1.00 0.00 C ATOM 238 CG PHE A 15 -6.872 3.598 2.263 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.154 4.627 1.357 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.151 3.769 3.624 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.715 5.827 1.812 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.712 4.968 4.079 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.994 5.997 3.173 1.00 0.00 C ATOM 244 H PHE A 15 -5.772 0.512 0.119 1.00 0.00 H ATOM 245 HA PHE A 15 -7.926 0.944 2.021 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.773 1.804 2.592 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.556 2.514 0.991 1.00 0.00 H ATOM 248 HD1 PHE A 15 -6.938 4.496 0.306 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.934 2.975 4.324 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.933 6.620 1.112 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.927 5.099 5.129 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.426 6.923 3.523 1.00 0.00 H ATOM 253 N LYS A 16 -7.900 2.372 -0.913 1.00 0.00 N ATOM 254 CA LYS A 16 -8.748 3.112 -1.880 1.00 0.00 C ATOM 255 C LYS A 16 -9.799 2.173 -2.465 1.00 0.00 C ATOM 256 O LYS A 16 -10.820 2.597 -2.968 1.00 0.00 O ATOM 257 CB LYS A 16 -7.792 3.600 -2.965 1.00 0.00 C ATOM 258 CG LYS A 16 -8.274 4.949 -3.498 1.00 0.00 C ATOM 259 CD LYS A 16 -8.911 4.758 -4.874 1.00 0.00 C ATOM 260 CE LYS A 16 -9.806 5.964 -5.192 1.00 0.00 C ATOM 261 NZ LYS A 16 -9.192 6.625 -6.385 1.00 0.00 N ATOM 262 H LYS A 16 -7.036 2.010 -1.196 1.00 0.00 H ATOM 263 HA LYS A 16 -9.214 3.946 -1.399 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.803 3.711 -2.546 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.766 2.885 -3.771 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.004 5.362 -2.817 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.436 5.624 -3.581 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.136 4.669 -5.619 1.00 0.00 H ATOM 269 HD3 LYS A 16 -9.512 3.861 -4.871 1.00 0.00 H ATOM 270 HE2 LYS A 16 -10.808 5.632 -5.421 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.818 6.648 -4.358 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -9.896 6.686 -7.147 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.373 6.075 -6.714 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.883 7.584 -6.128 1.00 0.00 H ATOM 275 N GLU A 17 -9.558 0.895 -2.387 1.00 0.00 N ATOM 276 CA GLU A 17 -10.537 -0.083 -2.920 1.00 0.00 C ATOM 277 C GLU A 17 -11.369 -0.636 -1.764 1.00 0.00 C ATOM 278 O GLU A 17 -12.580 -0.552 -1.754 1.00 0.00 O ATOM 279 CB GLU A 17 -9.692 -1.185 -3.564 1.00 0.00 C ATOM 280 CG GLU A 17 -10.580 -2.384 -3.898 1.00 0.00 C ATOM 281 CD GLU A 17 -11.849 -1.899 -4.602 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.751 -0.959 -5.373 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.896 -2.474 -4.355 1.00 0.00 O ATOM 284 H GLU A 17 -8.735 0.579 -1.968 1.00 0.00 H ATOM 285 HA GLU A 17 -11.163 0.383 -3.653 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.242 -0.807 -4.470 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.917 -1.493 -2.877 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.042 -3.058 -4.549 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.849 -2.898 -2.988 1.00 0.00 H ATOM 290 N ALA A 18 -10.714 -1.191 -0.786 1.00 0.00 N ATOM 291 CA ALA A 18 -11.429 -1.746 0.394 1.00 0.00 C ATOM 292 C ALA A 18 -12.175 -0.628 1.134 1.00 0.00 C ATOM 293 O ALA A 18 -13.097 -0.878 1.885 1.00 0.00 O ATOM 294 CB ALA A 18 -10.317 -2.319 1.271 1.00 0.00 C ATOM 295 H ALA A 18 -9.741 -1.237 -0.826 1.00 0.00 H ATOM 296 HA ALA A 18 -12.107 -2.527 0.095 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.575 -2.792 0.644 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.728 -3.045 1.954 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.853 -1.518 1.829 1.00 0.00 H ATOM 300 N PHE A 19 -11.770 0.602 0.931 1.00 0.00 N ATOM 301 CA PHE A 19 -12.439 1.753 1.615 1.00 0.00 C ATOM 302 C PHE A 19 -12.840 1.388 3.051 1.00 0.00 C ATOM 303 O PHE A 19 -13.754 1.963 3.607 1.00 0.00 O ATOM 304 CB PHE A 19 -13.674 2.072 0.758 1.00 0.00 C ATOM 305 CG PHE A 19 -14.791 1.097 1.060 1.00 0.00 C ATOM 306 CD1 PHE A 19 -15.706 1.371 2.086 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.915 -0.078 0.311 1.00 0.00 C ATOM 308 CE1 PHE A 19 -16.740 0.467 2.362 1.00 0.00 C ATOM 309 CE2 PHE A 19 -15.947 -0.981 0.587 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.859 -0.710 1.612 1.00 0.00 C ATOM 311 H PHE A 19 -11.015 0.771 0.325 1.00 0.00 H ATOM 312 HA PHE A 19 -11.780 2.606 1.625 1.00 0.00 H ATOM 313 HB2 PHE A 19 -14.008 3.077 0.971 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.410 2.000 -0.287 1.00 0.00 H ATOM 315 HD1 PHE A 19 -15.614 2.279 2.663 1.00 0.00 H ATOM 316 HD2 PHE A 19 -14.211 -0.288 -0.479 1.00 0.00 H ATOM 317 HE1 PHE A 19 -17.444 0.676 3.153 1.00 0.00 H ATOM 318 HE2 PHE A 19 -16.040 -1.887 0.008 1.00 0.00 H ATOM 319 HZ PHE A 19 -17.655 -1.407 1.826 1.00 0.00 H HETATM 320 N NH2 A 20 -12.183 0.457 3.685 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.431 0.225 4.604 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.444 -0.011 3.245 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 21 HETATM 1 C ACE A 1 12.156 -0.158 -1.116 1.00 0.00 C HETATM 2 O ACE A 1 11.204 0.597 -1.125 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.185 -0.125 0.000 1.00 0.00 C HETATM 4 H1 ACE A 1 13.280 -1.118 0.418 1.00 0.00 H HETATM 5 H2 ACE A 1 12.858 0.557 0.767 1.00 0.00 H HETATM 6 H3 ACE A 1 14.133 0.194 -0.396 1.00 0.00 H ATOM 7 N ASP A 2 12.310 -1.069 -2.022 1.00 0.00 N ATOM 8 CA ASP A 2 11.317 -1.210 -3.096 1.00 0.00 C ATOM 9 C ASP A 2 10.259 -2.111 -2.516 1.00 0.00 C ATOM 10 O ASP A 2 9.078 -1.952 -2.734 1.00 0.00 O ATOM 11 CB ASP A 2 12.049 -1.873 -4.258 1.00 0.00 C ATOM 12 CG ASP A 2 12.643 -0.794 -5.165 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.003 0.252 -4.650 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.730 -1.032 -6.358 1.00 0.00 O ATOM 15 H ASP A 2 13.045 -1.698 -1.962 1.00 0.00 H ATOM 16 HA ASP A 2 10.916 -0.258 -3.379 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.839 -2.498 -3.873 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.353 -2.472 -4.824 1.00 0.00 H ATOM 19 N TRP A 3 10.711 -3.029 -1.708 1.00 0.00 N ATOM 20 CA TRP A 3 9.797 -3.945 -1.012 1.00 0.00 C ATOM 21 C TRP A 3 9.081 -3.148 0.082 1.00 0.00 C ATOM 22 O TRP A 3 8.017 -3.508 0.547 1.00 0.00 O ATOM 23 CB TRP A 3 10.720 -4.997 -0.396 1.00 0.00 C ATOM 24 CG TRP A 3 11.639 -4.273 0.521 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.259 -3.704 1.677 1.00 0.00 C ATOM 26 CD2 TRP A 3 13.062 -4.008 0.378 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.327 -3.050 2.225 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.478 -3.232 1.484 1.00 0.00 C ATOM 29 CE3 TRP A 3 14.020 -4.352 -0.593 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.800 -2.808 1.624 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.354 -3.933 -0.453 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.742 -3.163 0.654 1.00 0.00 C ATOM 33 H TRP A 3 11.670 -3.086 -1.530 1.00 0.00 H ATOM 34 HA TRP A 3 9.120 -4.384 -1.694 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.138 -5.721 0.156 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.288 -5.490 -1.169 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.257 -3.711 2.078 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.293 -2.533 3.042 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.731 -4.944 -1.448 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.094 -2.217 2.477 1.00 0.00 H ATOM 41 HZ3 TRP A 3 16.082 -4.206 -1.201 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.769 -2.843 0.757 1.00 0.00 H ATOM 43 N PHE A 4 9.684 -2.054 0.493 1.00 0.00 N ATOM 44 CA PHE A 4 9.088 -1.204 1.550 1.00 0.00 C ATOM 45 C PHE A 4 7.966 -0.405 0.930 1.00 0.00 C ATOM 46 O PHE A 4 6.822 -0.507 1.316 1.00 0.00 O ATOM 47 CB PHE A 4 10.217 -0.285 2.006 1.00 0.00 C ATOM 48 CG PHE A 4 9.958 0.187 3.416 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.912 1.080 3.675 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.768 -0.265 4.464 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.676 1.522 4.982 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.534 0.176 5.770 1.00 0.00 C ATOM 53 CZ PHE A 4 9.488 1.069 6.030 1.00 0.00 C ATOM 54 H PHE A 4 10.537 -1.793 0.098 1.00 0.00 H ATOM 55 HA PHE A 4 8.739 -1.805 2.365 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.151 -0.825 1.974 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.270 0.566 1.347 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.286 1.429 2.867 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.575 -0.955 4.263 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.869 2.212 5.183 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.158 -0.172 6.577 1.00 0.00 H ATOM 62 HZ PHE A 4 9.307 1.411 7.039 1.00 0.00 H ATOM 63 N LYS A 5 8.285 0.353 -0.075 1.00 0.00 N ATOM 64 CA LYS A 5 7.231 1.110 -0.769 1.00 0.00 C ATOM 65 C LYS A 5 6.354 0.098 -1.505 1.00 0.00 C ATOM 66 O LYS A 5 5.300 0.421 -2.013 1.00 0.00 O ATOM 67 CB LYS A 5 7.956 2.032 -1.751 1.00 0.00 C ATOM 68 CG LYS A 5 6.927 2.851 -2.538 1.00 0.00 C ATOM 69 CD LYS A 5 7.652 3.834 -3.463 1.00 0.00 C ATOM 70 CE LYS A 5 7.184 3.623 -4.907 1.00 0.00 C ATOM 71 NZ LYS A 5 6.109 4.632 -5.120 1.00 0.00 N ATOM 72 H LYS A 5 9.210 0.384 -0.393 1.00 0.00 H ATOM 73 HA LYS A 5 6.652 1.685 -0.068 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.605 2.699 -1.203 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.542 1.438 -2.436 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.314 2.186 -3.127 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.304 3.401 -1.849 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.431 4.847 -3.157 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.717 3.664 -3.404 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.003 3.792 -5.594 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.786 2.628 -5.032 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.532 5.577 -5.208 1.00 0.00 H ATOM 83 HZ2 LYS A 5 5.456 4.619 -4.310 1.00 0.00 H ATOM 84 HZ3 LYS A 5 5.589 4.405 -5.990 1.00 0.00 H ATOM 85 N ALA A 6 6.789 -1.145 -1.552 1.00 0.00 N ATOM 86 CA ALA A 6 5.979 -2.184 -2.240 1.00 0.00 C ATOM 87 C ALA A 6 4.831 -2.631 -1.335 1.00 0.00 C ATOM 88 O ALA A 6 3.733 -2.881 -1.790 1.00 0.00 O ATOM 89 CB ALA A 6 6.946 -3.331 -2.504 1.00 0.00 C ATOM 90 H ALA A 6 7.646 -1.394 -1.126 1.00 0.00 H ATOM 91 HA ALA A 6 5.601 -1.809 -3.167 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.512 -3.124 -3.402 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.394 -4.248 -2.629 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.616 -3.423 -1.671 1.00 0.00 H ATOM 95 N PHE A 7 5.066 -2.721 -0.051 1.00 0.00 N ATOM 96 CA PHE A 7 3.979 -3.135 0.872 1.00 0.00 C ATOM 97 C PHE A 7 3.136 -1.915 1.244 1.00 0.00 C ATOM 98 O PHE A 7 1.939 -2.006 1.419 1.00 0.00 O ATOM 99 CB PHE A 7 4.680 -3.734 2.098 1.00 0.00 C ATOM 100 CG PHE A 7 5.199 -2.639 3.004 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.309 -1.899 3.789 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.573 -2.375 3.068 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.789 -0.892 4.635 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.052 -1.368 3.916 1.00 0.00 C ATOM 105 CZ PHE A 7 6.161 -0.627 4.698 1.00 0.00 C ATOM 106 H PHE A 7 5.949 -2.509 0.302 1.00 0.00 H ATOM 107 HA PHE A 7 3.366 -3.877 0.399 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.979 -4.346 2.646 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.507 -4.347 1.771 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.249 -2.103 3.740 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.263 -2.946 2.463 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.101 -0.320 5.240 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.111 -1.164 3.969 1.00 0.00 H ATOM 114 HZ PHE A 7 6.532 0.148 5.353 1.00 0.00 H ATOM 115 N TYR A 8 3.756 -0.772 1.341 1.00 0.00 N ATOM 116 CA TYR A 8 3.004 0.465 1.674 1.00 0.00 C ATOM 117 C TYR A 8 2.102 0.832 0.491 1.00 0.00 C ATOM 118 O TYR A 8 1.050 1.419 0.652 1.00 0.00 O ATOM 119 CB TYR A 8 4.094 1.526 1.916 1.00 0.00 C ATOM 120 CG TYR A 8 3.672 2.868 1.356 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.418 3.395 1.678 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.537 3.579 0.513 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.024 4.633 1.157 1.00 0.00 C ATOM 124 CE2 TYR A 8 4.144 4.819 -0.007 1.00 0.00 C ATOM 125 CZ TYR A 8 2.886 5.346 0.315 1.00 0.00 C ATOM 126 OH TYR A 8 2.498 6.566 -0.200 1.00 0.00 O ATOM 127 H TYR A 8 4.713 -0.725 1.178 1.00 0.00 H ATOM 128 HA TYR A 8 2.420 0.319 2.566 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.264 1.623 2.978 1.00 0.00 H ATOM 130 HB3 TYR A 8 5.008 1.212 1.438 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.754 2.845 2.327 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.505 3.173 0.265 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.055 5.039 1.406 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.809 5.368 -0.656 1.00 0.00 H ATOM 135 HH TYR A 8 3.248 7.162 -0.148 1.00 0.00 H ATOM 136 N ASP A 9 2.513 0.481 -0.696 1.00 0.00 N ATOM 137 CA ASP A 9 1.691 0.794 -1.892 1.00 0.00 C ATOM 138 C ASP A 9 0.536 -0.199 -1.989 1.00 0.00 C ATOM 139 O ASP A 9 -0.612 0.175 -2.123 1.00 0.00 O ATOM 140 CB ASP A 9 2.639 0.632 -3.078 1.00 0.00 C ATOM 141 CG ASP A 9 1.944 1.113 -4.354 1.00 0.00 C ATOM 142 OD1 ASP A 9 0.848 0.648 -4.618 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.520 1.938 -5.046 1.00 0.00 O ATOM 144 H ASP A 9 3.358 0.002 -0.797 1.00 0.00 H ATOM 145 HA ASP A 9 1.329 1.802 -1.841 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.531 1.218 -2.910 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.906 -0.407 -3.187 1.00 0.00 H ATOM 148 N LYS A 10 0.838 -1.466 -1.915 1.00 0.00 N ATOM 149 CA LYS A 10 -0.234 -2.497 -1.992 1.00 0.00 C ATOM 150 C LYS A 10 -1.289 -2.249 -0.910 1.00 0.00 C ATOM 151 O LYS A 10 -2.465 -2.142 -1.190 1.00 0.00 O ATOM 152 CB LYS A 10 0.483 -3.821 -1.750 1.00 0.00 C ATOM 153 CG LYS A 10 0.234 -4.766 -2.927 1.00 0.00 C ATOM 154 CD LYS A 10 0.488 -6.206 -2.482 1.00 0.00 C ATOM 155 CE LYS A 10 -0.017 -7.171 -3.556 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.200 -7.834 -2.941 1.00 0.00 N ATOM 157 H LYS A 10 1.772 -1.739 -1.804 1.00 0.00 H ATOM 158 HA LYS A 10 -0.684 -2.500 -2.966 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.542 -3.639 -1.652 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.106 -4.270 -0.845 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.790 -4.665 -3.259 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.904 -4.517 -3.737 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.548 -6.356 -2.332 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.036 -6.394 -1.557 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.305 -6.628 -4.444 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.739 -7.906 -3.789 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -2.045 -7.250 -3.095 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.038 -7.949 -1.919 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -1.341 -8.767 -3.376 1.00 0.00 H ATOM 170 N VAL A 11 -0.884 -2.160 0.327 1.00 0.00 N ATOM 171 CA VAL A 11 -1.879 -1.924 1.411 1.00 0.00 C ATOM 172 C VAL A 11 -2.744 -0.698 1.086 1.00 0.00 C ATOM 173 O VAL A 11 -3.959 -0.761 1.105 1.00 0.00 O ATOM 174 CB VAL A 11 -1.054 -1.693 2.682 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.388 -3.004 3.104 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.028 -0.640 2.423 1.00 0.00 C ATOM 177 H VAL A 11 0.068 -2.252 0.541 1.00 0.00 H ATOM 178 HA VAL A 11 -2.502 -2.795 1.535 1.00 0.00 H ATOM 179 HB VAL A 11 -1.706 -1.353 3.474 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.684 -2.886 3.081 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.679 -3.789 2.423 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.700 -3.261 4.105 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.260 -0.607 1.370 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.918 -0.895 2.978 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.328 0.329 2.743 1.00 0.00 H ATOM 186 N ALA A 12 -2.133 0.416 0.788 1.00 0.00 N ATOM 187 CA ALA A 12 -2.930 1.632 0.471 1.00 0.00 C ATOM 188 C ALA A 12 -3.763 1.415 -0.786 1.00 0.00 C ATOM 189 O ALA A 12 -4.713 2.125 -1.041 1.00 0.00 O ATOM 190 CB ALA A 12 -1.906 2.730 0.243 1.00 0.00 C ATOM 191 H ALA A 12 -1.157 0.456 0.775 1.00 0.00 H ATOM 192 HA ALA A 12 -3.560 1.888 1.296 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.770 2.876 -0.816 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.968 2.443 0.695 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.260 3.645 0.692 1.00 0.00 H ATOM 196 N GLU A 13 -3.415 0.445 -1.576 1.00 0.00 N ATOM 197 CA GLU A 13 -4.192 0.185 -2.814 1.00 0.00 C ATOM 198 C GLU A 13 -5.509 -0.501 -2.459 1.00 0.00 C ATOM 199 O GLU A 13 -6.523 -0.307 -3.106 1.00 0.00 O ATOM 200 CB GLU A 13 -3.306 -0.729 -3.662 1.00 0.00 C ATOM 201 CG GLU A 13 -4.045 -1.122 -4.943 1.00 0.00 C ATOM 202 CD GLU A 13 -3.797 -0.064 -6.017 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.118 0.905 -5.719 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.289 -0.240 -7.120 1.00 0.00 O ATOM 205 H GLU A 13 -2.643 -0.109 -1.355 1.00 0.00 H ATOM 206 HA GLU A 13 -4.378 1.104 -3.330 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.396 -0.207 -3.918 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.064 -1.619 -3.103 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.680 -2.079 -5.288 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.103 -1.191 -4.743 1.00 0.00 H ATOM 211 N LYS A 14 -5.518 -1.279 -1.412 1.00 0.00 N ATOM 212 CA LYS A 14 -6.763 -1.943 -1.012 1.00 0.00 C ATOM 213 C LYS A 14 -7.490 -1.025 -0.051 1.00 0.00 C ATOM 214 O LYS A 14 -8.668 -1.139 0.151 1.00 0.00 O ATOM 215 CB LYS A 14 -6.325 -3.274 -0.370 1.00 0.00 C ATOM 216 CG LYS A 14 -6.537 -3.260 1.150 1.00 0.00 C ATOM 217 CD LYS A 14 -6.016 -4.571 1.740 1.00 0.00 C ATOM 218 CE LYS A 14 -7.133 -5.259 2.529 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.704 -5.167 3.952 1.00 0.00 N ATOM 220 H LYS A 14 -4.721 -1.401 -0.878 1.00 0.00 H ATOM 221 HA LYS A 14 -7.369 -2.127 -1.877 1.00 0.00 H ATOM 222 HB2 LYS A 14 -6.901 -4.079 -0.800 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.279 -3.438 -0.580 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.996 -2.429 1.582 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.589 -3.160 1.368 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.689 -5.218 0.939 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.187 -4.364 2.398 1.00 0.00 H ATOM 228 HE2 LYS A 14 -8.071 -4.744 2.381 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.218 -6.295 2.235 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -6.223 -4.260 4.111 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.050 -5.948 4.167 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.535 -5.230 4.571 1.00 0.00 H ATOM 233 N PHE A 15 -6.800 -0.089 0.522 1.00 0.00 N ATOM 234 CA PHE A 15 -7.485 0.846 1.435 1.00 0.00 C ATOM 235 C PHE A 15 -8.193 1.910 0.600 1.00 0.00 C ATOM 236 O PHE A 15 -9.246 2.402 0.954 1.00 0.00 O ATOM 237 CB PHE A 15 -6.382 1.450 2.304 1.00 0.00 C ATOM 238 CG PHE A 15 -7.003 2.221 3.442 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.564 3.481 3.207 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.021 1.676 4.733 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.144 4.197 4.260 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.601 2.393 5.787 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.164 3.653 5.550 1.00 0.00 C ATOM 244 H PHE A 15 -5.842 0.012 0.334 1.00 0.00 H ATOM 245 HA PHE A 15 -8.188 0.315 2.038 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.764 0.658 2.702 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.778 2.115 1.707 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.548 3.899 2.212 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.587 0.704 4.916 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.577 5.168 4.077 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.616 1.974 6.782 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.611 4.206 6.361 1.00 0.00 H ATOM 253 N LYS A 16 -7.633 2.235 -0.533 1.00 0.00 N ATOM 254 CA LYS A 16 -8.268 3.237 -1.420 1.00 0.00 C ATOM 255 C LYS A 16 -9.352 2.554 -2.245 1.00 0.00 C ATOM 256 O LYS A 16 -10.305 3.172 -2.679 1.00 0.00 O ATOM 257 CB LYS A 16 -7.145 3.750 -2.320 1.00 0.00 C ATOM 258 CG LYS A 16 -7.705 4.778 -3.305 1.00 0.00 C ATOM 259 CD LYS A 16 -7.149 6.163 -2.969 1.00 0.00 C ATOM 260 CE LYS A 16 -8.132 7.240 -3.435 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.294 8.452 -3.654 1.00 0.00 N ATOM 262 H LYS A 16 -6.808 1.798 -0.808 1.00 0.00 H ATOM 263 HA LYS A 16 -8.677 4.043 -0.841 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.380 4.212 -1.712 1.00 0.00 H ATOM 265 HB3 LYS A 16 -6.719 2.925 -2.869 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.417 4.507 -4.310 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.782 4.798 -3.231 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.006 6.243 -1.902 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.204 6.302 -3.471 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.611 6.938 -4.356 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.868 7.433 -2.672 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.966 8.818 -2.738 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.857 9.180 -4.139 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.470 8.203 -4.239 1.00 0.00 H ATOM 275 N GLU A 17 -9.219 1.273 -2.450 1.00 0.00 N ATOM 276 CA GLU A 17 -10.247 0.542 -3.231 1.00 0.00 C ATOM 277 C GLU A 17 -11.298 -0.017 -2.276 1.00 0.00 C ATOM 278 O GLU A 17 -12.483 0.195 -2.440 1.00 0.00 O ATOM 279 CB GLU A 17 -9.496 -0.583 -3.935 1.00 0.00 C ATOM 280 CG GLU A 17 -9.222 -0.183 -5.385 1.00 0.00 C ATOM 281 CD GLU A 17 -7.756 0.233 -5.530 1.00 0.00 C ATOM 282 OE1 GLU A 17 -7.462 1.388 -5.273 1.00 0.00 O ATOM 283 OE2 GLU A 17 -6.955 -0.611 -5.893 1.00 0.00 O ATOM 284 H GLU A 17 -8.447 0.791 -2.082 1.00 0.00 H ATOM 285 HA GLU A 17 -10.695 1.192 -3.949 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.561 -0.761 -3.426 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.097 -1.478 -3.918 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.425 -1.023 -6.035 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.857 0.646 -5.656 1.00 0.00 H ATOM 290 N ALA A 18 -10.863 -0.716 -1.270 1.00 0.00 N ATOM 291 CA ALA A 18 -11.815 -1.284 -0.280 1.00 0.00 C ATOM 292 C ALA A 18 -12.738 -0.176 0.240 1.00 0.00 C ATOM 293 O ALA A 18 -13.889 -0.412 0.550 1.00 0.00 O ATOM 294 CB ALA A 18 -10.926 -1.835 0.837 1.00 0.00 C ATOM 295 H ALA A 18 -9.903 -0.861 -1.160 1.00 0.00 H ATOM 296 HA ALA A 18 -12.392 -2.080 -0.722 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.213 -2.536 0.416 1.00 0.00 H ATOM 298 HB2 ALA A 18 -11.529 -2.337 1.573 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.389 -1.021 1.304 1.00 0.00 H ATOM 300 N PHE A 19 -12.248 1.037 0.328 1.00 0.00 N ATOM 301 CA PHE A 19 -13.111 2.146 0.816 1.00 0.00 C ATOM 302 C PHE A 19 -13.659 2.951 -0.367 1.00 0.00 C ATOM 303 O PHE A 19 -13.630 2.500 -1.495 1.00 0.00 O ATOM 304 CB PHE A 19 -12.207 3.017 1.683 1.00 0.00 C ATOM 305 CG PHE A 19 -12.229 2.505 3.103 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.748 1.223 3.393 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.735 3.311 4.131 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.772 0.747 4.709 1.00 0.00 C ATOM 309 CE2 PHE A 19 -12.759 2.834 5.447 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.278 1.552 5.737 1.00 0.00 C ATOM 311 H PHE A 19 -11.320 1.217 0.069 1.00 0.00 H ATOM 312 HA PHE A 19 -13.911 1.755 1.406 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.201 2.980 1.302 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.564 4.034 1.665 1.00 0.00 H ATOM 315 HD1 PHE A 19 -11.357 0.600 2.601 1.00 0.00 H ATOM 316 HD2 PHE A 19 -13.106 4.301 3.908 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.401 -0.243 4.931 1.00 0.00 H ATOM 318 HE2 PHE A 19 -13.149 3.457 6.240 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.297 1.185 6.752 1.00 0.00 H HETATM 320 N NH2 A 20 -14.158 4.138 -0.156 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.506 4.663 -0.906 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.184 4.504 0.752 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 22 HETATM 1 C ACE A 1 12.346 -0.569 -0.856 1.00 0.00 C HETATM 2 O ACE A 1 11.360 0.121 -0.688 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.413 -0.705 0.219 1.00 0.00 C HETATM 4 H1 ACE A 1 14.174 -1.391 -0.123 1.00 0.00 H HETATM 5 H2 ACE A 1 12.957 -1.091 1.121 1.00 0.00 H HETATM 6 H3 ACE A 1 13.852 0.257 0.417 1.00 0.00 H ATOM 7 N ASP A 2 12.509 -1.269 -1.937 1.00 0.00 N ATOM 8 CA ASP A 2 11.484 -1.231 -2.993 1.00 0.00 C ATOM 9 C ASP A 2 10.352 -2.077 -2.469 1.00 0.00 C ATOM 10 O ASP A 2 9.194 -1.827 -2.712 1.00 0.00 O ATOM 11 CB ASP A 2 12.129 -1.860 -4.224 1.00 0.00 C ATOM 12 CG ASP A 2 13.275 -0.971 -4.701 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.317 0.176 -4.288 1.00 0.00 O ATOM 14 OD2 ASP A 2 14.090 -1.450 -5.471 1.00 0.00 O ATOM 15 H ASP A 2 13.274 -1.853 -2.027 1.00 0.00 H ATOM 16 HA ASP A 2 11.169 -0.223 -3.192 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.510 -2.841 -3.971 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.393 -1.949 -5.008 1.00 0.00 H ATOM 19 N TRP A 3 10.720 -3.059 -1.691 1.00 0.00 N ATOM 20 CA TRP A 3 9.738 -3.949 -1.047 1.00 0.00 C ATOM 21 C TRP A 3 9.021 -3.152 0.048 1.00 0.00 C ATOM 22 O TRP A 3 7.948 -3.501 0.498 1.00 0.00 O ATOM 23 CB TRP A 3 10.598 -5.044 -0.414 1.00 0.00 C ATOM 24 CG TRP A 3 11.549 -4.350 0.499 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.186 -3.735 1.637 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.987 -4.154 0.368 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.275 -3.111 2.177 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.425 -3.368 1.458 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.939 -4.569 -0.578 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.762 -2.999 1.604 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.289 -4.207 -0.431 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.699 -3.425 0.659 1.00 0.00 C ATOM 33 H TRP A 3 11.669 -3.188 -1.501 1.00 0.00 H ATOM 34 HA TRP A 3 9.063 -4.355 -1.759 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.974 -5.728 0.145 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.144 -5.575 -1.180 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.179 -3.681 2.024 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.254 -2.569 2.978 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.633 -5.172 -1.420 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.073 -2.397 2.447 1.00 0.00 H ATOM 41 HZ3 TRP A 3 16.014 -4.534 -1.159 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.738 -3.150 0.766 1.00 0.00 H ATOM 43 N PHE A 4 9.647 -2.084 0.493 1.00 0.00 N ATOM 44 CA PHE A 4 9.065 -1.247 1.567 1.00 0.00 C ATOM 45 C PHE A 4 8.013 -0.353 0.957 1.00 0.00 C ATOM 46 O PHE A 4 6.858 -0.388 1.321 1.00 0.00 O ATOM 47 CB PHE A 4 10.232 -0.435 2.111 1.00 0.00 C ATOM 48 CG PHE A 4 10.162 -0.420 3.615 1.00 0.00 C ATOM 49 CD1 PHE A 4 10.206 -1.625 4.328 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.042 0.793 4.300 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.129 -1.616 5.724 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.968 0.803 5.697 1.00 0.00 C ATOM 53 CZ PHE A 4 10.010 -0.401 6.409 1.00 0.00 C ATOM 54 H PHE A 4 10.515 -1.842 0.121 1.00 0.00 H ATOM 55 HA PHE A 4 8.648 -1.860 2.341 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.160 -0.890 1.797 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.175 0.575 1.738 1.00 0.00 H ATOM 58 HD1 PHE A 4 10.300 -2.561 3.798 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.010 1.723 3.748 1.00 0.00 H ATOM 60 HE1 PHE A 4 10.163 -2.544 6.274 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.875 1.740 6.225 1.00 0.00 H ATOM 62 HZ PHE A 4 9.950 -0.393 7.487 1.00 0.00 H ATOM 63 N LYS A 5 8.396 0.413 -0.013 1.00 0.00 N ATOM 64 CA LYS A 5 7.401 1.258 -0.691 1.00 0.00 C ATOM 65 C LYS A 5 6.487 0.326 -1.489 1.00 0.00 C ATOM 66 O LYS A 5 5.450 0.721 -1.989 1.00 0.00 O ATOM 67 CB LYS A 5 8.205 2.172 -1.612 1.00 0.00 C ATOM 68 CG LYS A 5 7.720 3.616 -1.447 1.00 0.00 C ATOM 69 CD LYS A 5 8.906 4.574 -1.568 1.00 0.00 C ATOM 70 CE LYS A 5 8.429 5.909 -2.149 1.00 0.00 C ATOM 71 NZ LYS A 5 8.321 5.669 -3.615 1.00 0.00 N ATOM 72 H LYS A 5 9.325 0.396 -0.320 1.00 0.00 H ATOM 73 HA LYS A 5 6.845 1.835 0.020 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.251 2.112 -1.352 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.066 1.862 -2.635 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.994 3.841 -2.216 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.264 3.732 -0.475 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.335 4.739 -0.591 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.651 4.146 -2.221 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.465 6.175 -1.736 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.152 6.686 -1.954 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.585 6.532 -4.130 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.343 5.409 -3.854 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.963 4.897 -3.888 1.00 0.00 H ATOM 85 N ALA A 6 6.878 -0.926 -1.600 1.00 0.00 N ATOM 86 CA ALA A 6 6.058 -1.909 -2.359 1.00 0.00 C ATOM 87 C ALA A 6 4.891 -2.410 -1.513 1.00 0.00 C ATOM 88 O ALA A 6 3.800 -2.611 -2.007 1.00 0.00 O ATOM 89 CB ALA A 6 7.021 -3.044 -2.680 1.00 0.00 C ATOM 90 H ALA A 6 7.721 -1.222 -1.181 1.00 0.00 H ATOM 91 HA ALA A 6 5.698 -1.472 -3.265 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.735 -3.133 -1.881 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.543 -2.823 -3.602 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.476 -3.968 -2.784 1.00 0.00 H ATOM 95 N PHE A 7 5.103 -2.617 -0.245 1.00 0.00 N ATOM 96 CA PHE A 7 3.995 -3.102 0.609 1.00 0.00 C ATOM 97 C PHE A 7 3.154 -1.915 1.080 1.00 0.00 C ATOM 98 O PHE A 7 1.940 -1.969 1.095 1.00 0.00 O ATOM 99 CB PHE A 7 4.674 -3.839 1.774 1.00 0.00 C ATOM 100 CG PHE A 7 5.095 -2.865 2.854 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.130 -2.275 3.679 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.451 -2.561 3.038 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.519 -1.382 4.686 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.840 -1.670 4.046 1.00 0.00 C ATOM 105 CZ PHE A 7 5.873 -1.079 4.869 1.00 0.00 C ATOM 106 H PHE A 7 5.981 -2.454 0.139 1.00 0.00 H ATOM 107 HA PHE A 7 3.385 -3.783 0.050 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.983 -4.556 2.191 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.545 -4.357 1.403 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.088 -2.507 3.538 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.199 -3.017 2.404 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.773 -0.927 5.320 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.883 -1.437 4.187 1.00 0.00 H ATOM 114 HZ PHE A 7 6.172 -0.392 5.646 1.00 0.00 H ATOM 115 N TYR A 8 3.786 -0.837 1.441 1.00 0.00 N ATOM 116 CA TYR A 8 3.018 0.356 1.885 1.00 0.00 C ATOM 117 C TYR A 8 2.103 0.817 0.749 1.00 0.00 C ATOM 118 O TYR A 8 1.008 1.300 0.972 1.00 0.00 O ATOM 119 CB TYR A 8 4.074 1.416 2.195 1.00 0.00 C ATOM 120 CG TYR A 8 3.462 2.548 2.991 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.483 2.289 3.962 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.884 3.864 2.761 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.931 3.345 4.698 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.330 4.918 3.497 1.00 0.00 C ATOM 125 CZ TYR A 8 2.354 4.659 4.466 1.00 0.00 C ATOM 126 OH TYR A 8 1.810 5.698 5.193 1.00 0.00 O ATOM 127 H TYR A 8 4.760 -0.807 1.407 1.00 0.00 H ATOM 128 HA TYR A 8 2.448 0.127 2.765 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.872 0.968 2.768 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.470 1.804 1.270 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.155 1.278 4.144 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.637 4.065 2.013 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.176 3.144 5.445 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.656 5.930 3.318 1.00 0.00 H ATOM 135 HH TYR A 8 1.895 6.500 4.674 1.00 0.00 H ATOM 136 N ASP A 9 2.539 0.658 -0.473 1.00 0.00 N ATOM 137 CA ASP A 9 1.692 1.073 -1.621 1.00 0.00 C ATOM 138 C ASP A 9 0.575 0.048 -1.822 1.00 0.00 C ATOM 139 O ASP A 9 -0.581 0.391 -1.961 1.00 0.00 O ATOM 140 CB ASP A 9 2.639 1.099 -2.825 1.00 0.00 C ATOM 141 CG ASP A 9 1.834 0.983 -4.122 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.230 1.969 -4.511 1.00 0.00 O ATOM 143 OD2 ASP A 9 1.836 -0.091 -4.700 1.00 0.00 O ATOM 144 H ASP A 9 3.419 0.255 -0.635 1.00 0.00 H ATOM 145 HA ASP A 9 1.284 2.052 -1.448 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.189 2.030 -2.827 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.329 0.274 -2.758 1.00 0.00 H ATOM 148 N LYS A 10 0.917 -1.210 -1.837 1.00 0.00 N ATOM 149 CA LYS A 10 -0.122 -2.264 -2.024 1.00 0.00 C ATOM 150 C LYS A 10 -1.272 -2.063 -1.030 1.00 0.00 C ATOM 151 O LYS A 10 -2.423 -1.954 -1.409 1.00 0.00 O ATOM 152 CB LYS A 10 0.596 -3.578 -1.748 1.00 0.00 C ATOM 153 CG LYS A 10 1.097 -4.164 -3.066 1.00 0.00 C ATOM 154 CD LYS A 10 1.432 -5.643 -2.874 1.00 0.00 C ATOM 155 CE LYS A 10 2.029 -6.197 -4.168 1.00 0.00 C ATOM 156 NZ LYS A 10 0.877 -6.315 -5.106 1.00 0.00 N ATOM 157 H LYS A 10 1.860 -1.463 -1.723 1.00 0.00 H ATOM 158 HA LYS A 10 -0.489 -2.255 -3.036 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.433 -3.398 -1.092 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.089 -4.271 -1.285 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.327 -4.064 -3.819 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.981 -3.634 -3.383 1.00 0.00 H ATOM 163 HD2 LYS A 10 2.147 -5.749 -2.070 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.531 -6.189 -2.632 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.769 -5.513 -4.562 1.00 0.00 H ATOM 166 HE3 LYS A 10 2.466 -7.168 -3.997 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.392 -5.397 -5.177 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.213 -7.034 -4.752 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.223 -6.595 -6.046 1.00 0.00 H ATOM 170 N VAL A 11 -0.977 -2.014 0.240 1.00 0.00 N ATOM 171 CA VAL A 11 -2.066 -1.821 1.239 1.00 0.00 C ATOM 172 C VAL A 11 -2.900 -0.592 0.869 1.00 0.00 C ATOM 173 O VAL A 11 -4.114 -0.632 0.868 1.00 0.00 O ATOM 174 CB VAL A 11 -1.363 -1.614 2.583 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.592 -2.879 2.961 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.390 -0.439 2.477 1.00 0.00 C ATOM 177 H VAL A 11 -0.047 -2.103 0.534 1.00 0.00 H ATOM 178 HA VAL A 11 -2.692 -2.696 1.282 1.00 0.00 H ATOM 179 HB VAL A 11 -2.102 -1.404 3.344 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.363 -2.884 2.457 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.159 -3.749 2.667 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.433 -2.897 4.029 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.943 0.488 2.480 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.174 -0.522 1.560 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.288 -0.456 3.319 1.00 0.00 H ATOM 186 N ALA A 12 -2.260 0.500 0.548 1.00 0.00 N ATOM 187 CA ALA A 12 -3.023 1.723 0.176 1.00 0.00 C ATOM 188 C ALA A 12 -3.929 1.435 -1.014 1.00 0.00 C ATOM 189 O ALA A 12 -4.972 2.035 -1.166 1.00 0.00 O ATOM 190 CB ALA A 12 -1.968 2.756 -0.185 1.00 0.00 C ATOM 191 H ALA A 12 -1.280 0.516 0.550 1.00 0.00 H ATOM 192 HA ALA A 12 -3.605 2.072 1.005 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.169 3.143 -1.171 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.995 2.291 -0.166 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.000 3.561 0.533 1.00 0.00 H ATOM 196 N GLU A 13 -3.557 0.513 -1.854 1.00 0.00 N ATOM 197 CA GLU A 13 -4.430 0.197 -3.010 1.00 0.00 C ATOM 198 C GLU A 13 -5.691 -0.490 -2.494 1.00 0.00 C ATOM 199 O GLU A 13 -6.761 -0.360 -3.057 1.00 0.00 O ATOM 200 CB GLU A 13 -3.616 -0.731 -3.908 1.00 0.00 C ATOM 201 CG GLU A 13 -2.876 0.105 -4.953 1.00 0.00 C ATOM 202 CD GLU A 13 -2.091 -0.818 -5.885 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.069 -2.010 -5.626 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.524 -0.318 -6.842 1.00 0.00 O ATOM 205 H GLU A 13 -2.721 0.025 -1.718 1.00 0.00 H ATOM 206 HA GLU A 13 -4.682 1.094 -3.537 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.902 -1.276 -3.312 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.279 -1.420 -4.407 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.591 0.675 -5.528 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.195 0.779 -4.458 1.00 0.00 H ATOM 211 N LYS A 14 -5.579 -1.193 -1.398 1.00 0.00 N ATOM 212 CA LYS A 14 -6.761 -1.854 -0.819 1.00 0.00 C ATOM 213 C LYS A 14 -7.521 -0.834 0.009 1.00 0.00 C ATOM 214 O LYS A 14 -8.698 -0.956 0.230 1.00 0.00 O ATOM 215 CB LYS A 14 -6.212 -2.969 0.068 1.00 0.00 C ATOM 216 CG LYS A 14 -5.627 -4.081 -0.803 1.00 0.00 C ATOM 217 CD LYS A 14 -5.691 -5.408 -0.044 1.00 0.00 C ATOM 218 CE LYS A 14 -4.559 -5.464 0.983 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.451 -6.900 1.360 1.00 0.00 N ATOM 220 H LYS A 14 -4.726 -1.264 -0.945 1.00 0.00 H ATOM 221 HA LYS A 14 -7.382 -2.259 -1.590 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.440 -2.569 0.709 1.00 0.00 H ATOM 223 HB3 LYS A 14 -7.010 -3.371 0.673 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.195 -4.160 -1.718 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.598 -3.852 -1.035 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.642 -5.487 0.465 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.585 -6.227 -0.739 1.00 0.00 H ATOM 228 HE2 LYS A 14 -3.634 -5.118 0.541 1.00 0.00 H ATOM 229 HE3 LYS A 14 -4.808 -4.872 1.850 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -3.454 -7.144 1.518 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.835 -7.489 0.593 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.990 -7.072 2.232 1.00 0.00 H ATOM 233 N PHE A 15 -6.857 0.188 0.459 1.00 0.00 N ATOM 234 CA PHE A 15 -7.561 1.217 1.257 1.00 0.00 C ATOM 235 C PHE A 15 -8.403 2.070 0.324 1.00 0.00 C ATOM 236 O PHE A 15 -9.445 2.580 0.685 1.00 0.00 O ATOM 237 CB PHE A 15 -6.462 2.052 1.912 1.00 0.00 C ATOM 238 CG PHE A 15 -7.065 3.003 2.924 1.00 0.00 C ATOM 239 CD1 PHE A 15 -8.435 2.948 3.226 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.249 3.944 3.562 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.982 3.833 4.162 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.798 4.828 4.499 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.164 4.772 4.798 1.00 0.00 C ATOM 244 H PHE A 15 -5.904 0.283 0.262 1.00 0.00 H ATOM 245 HA PHE A 15 -8.174 0.753 2.000 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.763 1.397 2.409 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.945 2.619 1.151 1.00 0.00 H ATOM 248 HD1 PHE A 15 -9.068 2.224 2.735 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.195 3.988 3.333 1.00 0.00 H ATOM 250 HE1 PHE A 15 -10.037 3.791 4.393 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.167 5.553 4.990 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.586 5.454 5.521 1.00 0.00 H ATOM 253 N LYS A 16 -7.951 2.213 -0.883 1.00 0.00 N ATOM 254 CA LYS A 16 -8.701 3.017 -1.873 1.00 0.00 C ATOM 255 C LYS A 16 -9.694 2.126 -2.621 1.00 0.00 C ATOM 256 O LYS A 16 -10.643 2.598 -3.215 1.00 0.00 O ATOM 257 CB LYS A 16 -7.637 3.557 -2.821 1.00 0.00 C ATOM 258 CG LYS A 16 -8.271 4.579 -3.763 1.00 0.00 C ATOM 259 CD LYS A 16 -8.099 5.983 -3.184 1.00 0.00 C ATOM 260 CE LYS A 16 -8.985 6.960 -3.955 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.093 7.530 -5.003 1.00 0.00 N ATOM 262 H LYS A 16 -7.112 1.784 -1.141 1.00 0.00 H ATOM 263 HA LYS A 16 -9.207 3.827 -1.386 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.854 4.032 -2.248 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.223 2.745 -3.397 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.790 4.524 -4.729 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.323 4.362 -3.871 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.381 5.981 -2.141 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.067 6.286 -3.277 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.817 6.435 -4.407 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.340 7.743 -3.304 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.579 8.310 -5.486 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.854 6.789 -5.692 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.224 7.887 -4.560 1.00 0.00 H ATOM 275 N GLU A 17 -9.488 0.837 -2.592 1.00 0.00 N ATOM 276 CA GLU A 17 -10.425 -0.079 -3.296 1.00 0.00 C ATOM 277 C GLU A 17 -11.386 -0.697 -2.292 1.00 0.00 C ATOM 278 O GLU A 17 -12.489 -1.088 -2.613 1.00 0.00 O ATOM 279 CB GLU A 17 -9.549 -1.154 -3.931 1.00 0.00 C ATOM 280 CG GLU A 17 -10.211 -1.659 -5.214 1.00 0.00 C ATOM 281 CD GLU A 17 -9.387 -1.218 -6.423 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.302 -1.748 -6.601 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.852 -0.355 -7.149 1.00 0.00 O ATOM 284 H GLU A 17 -8.725 0.472 -2.101 1.00 0.00 H ATOM 285 HA GLU A 17 -10.961 0.455 -4.046 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.582 -0.735 -4.164 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.433 -1.974 -3.240 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.265 -2.737 -5.188 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.207 -1.250 -5.291 1.00 0.00 H ATOM 290 N ALA A 18 -10.958 -0.777 -1.075 1.00 0.00 N ATOM 291 CA ALA A 18 -11.803 -1.353 -0.012 1.00 0.00 C ATOM 292 C ALA A 18 -12.522 -0.225 0.726 1.00 0.00 C ATOM 293 O ALA A 18 -13.510 -0.444 1.396 1.00 0.00 O ATOM 294 CB ALA A 18 -10.808 -2.062 0.904 1.00 0.00 C ATOM 295 H ALA A 18 -10.072 -0.447 -0.856 1.00 0.00 H ATOM 296 HA ALA A 18 -12.502 -2.056 -0.422 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.074 -2.582 0.301 1.00 0.00 H ATOM 298 HB2 ALA A 18 -11.325 -2.769 1.530 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.304 -1.330 1.522 1.00 0.00 H ATOM 300 N PHE A 19 -12.011 0.979 0.588 1.00 0.00 N ATOM 301 CA PHE A 19 -12.620 2.177 1.262 1.00 0.00 C ATOM 302 C PHE A 19 -13.425 1.768 2.498 1.00 0.00 C ATOM 303 O PHE A 19 -14.557 2.180 2.669 1.00 0.00 O ATOM 304 CB PHE A 19 -13.532 2.828 0.215 1.00 0.00 C ATOM 305 CG PHE A 19 -14.244 1.763 -0.586 1.00 0.00 C ATOM 306 CD1 PHE A 19 -15.181 0.931 0.034 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.960 1.607 -1.948 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.834 -0.059 -0.707 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.615 0.618 -2.690 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.552 -0.216 -2.068 1.00 0.00 C ATOM 311 H PHE A 19 -11.212 1.095 0.028 1.00 0.00 H ATOM 312 HA PHE A 19 -11.845 2.871 1.543 1.00 0.00 H ATOM 313 HB2 PHE A 19 -14.262 3.449 0.712 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.936 3.437 -0.449 1.00 0.00 H ATOM 315 HD1 PHE A 19 -15.398 1.053 1.085 1.00 0.00 H ATOM 316 HD2 PHE A 19 -13.238 2.252 -2.427 1.00 0.00 H ATOM 317 HE1 PHE A 19 -16.558 -0.702 -0.228 1.00 0.00 H ATOM 318 HE2 PHE A 19 -14.396 0.498 -3.740 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.054 -0.981 -2.641 1.00 0.00 H HETATM 320 N NH2 A 20 -12.886 0.963 3.370 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.393 0.688 4.162 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.975 0.632 3.232 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 23 HETATM 1 C ACE A 1 12.280 -0.714 -1.249 1.00 0.00 C HETATM 2 O ACE A 1 11.269 -0.107 -0.955 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.472 -0.772 -0.303 1.00 0.00 C HETATM 4 H1 ACE A 1 13.293 -1.532 0.446 1.00 0.00 H HETATM 5 H2 ACE A 1 13.597 0.184 0.176 1.00 0.00 H HETATM 6 H3 ACE A 1 14.360 -1.019 -0.861 1.00 0.00 H ATOM 7 N ASP A 2 12.366 -1.381 -2.360 1.00 0.00 N ATOM 8 CA ASP A 2 11.216 -1.402 -3.276 1.00 0.00 C ATOM 9 C ASP A 2 10.158 -2.208 -2.563 1.00 0.00 C ATOM 10 O ASP A 2 8.983 -1.951 -2.662 1.00 0.00 O ATOM 11 CB ASP A 2 11.700 -2.113 -4.543 1.00 0.00 C ATOM 12 CG ASP A 2 12.035 -3.570 -4.216 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.693 -3.796 -3.215 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.627 -4.434 -4.975 1.00 0.00 O ATOM 15 H ASP A 2 13.155 -1.902 -2.561 1.00 0.00 H ATOM 16 HA ASP A 2 10.875 -0.406 -3.492 1.00 0.00 H ATOM 17 HB2 ASP A 2 10.921 -2.081 -5.291 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.582 -1.619 -4.919 1.00 0.00 H ATOM 19 N TRP A 3 10.614 -3.168 -1.803 1.00 0.00 N ATOM 20 CA TRP A 3 9.706 -4.021 -1.009 1.00 0.00 C ATOM 21 C TRP A 3 9.090 -3.191 0.134 1.00 0.00 C ATOM 22 O TRP A 3 8.137 -3.596 0.769 1.00 0.00 O ATOM 23 CB TRP A 3 10.625 -5.127 -0.449 1.00 0.00 C ATOM 24 CG TRP A 3 11.279 -4.601 0.785 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.805 -3.370 0.882 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.476 -5.234 2.083 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.241 -3.164 2.161 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.096 -4.295 2.942 1.00 0.00 C ATOM 29 CE3 TRP A 3 11.175 -6.507 2.598 1.00 0.00 C ATOM 30 CZ2 TRP A 3 12.405 -4.606 4.268 1.00 0.00 C ATOM 31 CZ3 TRP A 3 11.489 -6.826 3.931 1.00 0.00 C ATOM 32 CH2 TRP A 3 12.103 -5.878 4.763 1.00 0.00 C ATOM 33 H TRP A 3 11.577 -3.311 -1.738 1.00 0.00 H ATOM 34 HA TRP A 3 8.954 -4.444 -1.633 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.039 -6.003 -0.210 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.379 -5.379 -1.180 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.829 -2.639 0.093 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.622 -2.332 2.484 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.703 -7.245 1.966 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.877 -3.871 4.903 1.00 0.00 H ATOM 41 HZ3 TRP A 3 11.258 -7.809 4.316 1.00 0.00 H ATOM 42 HH2 TRP A 3 12.343 -6.130 5.785 1.00 0.00 H ATOM 43 N PHE A 4 9.651 -2.033 0.399 1.00 0.00 N ATOM 44 CA PHE A 4 9.138 -1.175 1.493 1.00 0.00 C ATOM 45 C PHE A 4 7.999 -0.350 0.946 1.00 0.00 C ATOM 46 O PHE A 4 6.860 -0.481 1.353 1.00 0.00 O ATOM 47 CB PHE A 4 10.317 -0.287 1.897 1.00 0.00 C ATOM 48 CG PHE A 4 9.846 0.769 2.866 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.307 1.969 2.389 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.952 0.546 4.243 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.873 2.947 3.291 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.519 1.524 5.144 1.00 0.00 C ATOM 53 CZ PHE A 4 8.979 2.724 4.668 1.00 0.00 C ATOM 54 H PHE A 4 10.412 -1.731 -0.125 1.00 0.00 H ATOM 55 HA PHE A 4 8.823 -1.776 2.320 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.077 -0.893 2.367 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.727 0.189 1.020 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.226 2.140 1.325 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.370 -0.381 4.609 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.456 3.873 2.924 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.601 1.352 6.207 1.00 0.00 H ATOM 62 HZ PHE A 4 8.645 3.479 5.365 1.00 0.00 H ATOM 63 N LYS A 5 8.287 0.457 -0.028 1.00 0.00 N ATOM 64 CA LYS A 5 7.208 1.235 -0.657 1.00 0.00 C ATOM 65 C LYS A 5 6.277 0.238 -1.341 1.00 0.00 C ATOM 66 O LYS A 5 5.183 0.567 -1.749 1.00 0.00 O ATOM 67 CB LYS A 5 7.894 2.133 -1.687 1.00 0.00 C ATOM 68 CG LYS A 5 6.836 2.812 -2.561 1.00 0.00 C ATOM 69 CD LYS A 5 7.510 3.449 -3.778 1.00 0.00 C ATOM 70 CE LYS A 5 7.357 2.528 -4.993 1.00 0.00 C ATOM 71 NZ LYS A 5 7.513 3.417 -6.180 1.00 0.00 N ATOM 72 H LYS A 5 9.203 0.507 -0.372 1.00 0.00 H ATOM 73 HA LYS A 5 6.683 1.821 0.076 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.479 2.884 -1.177 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.541 1.534 -2.310 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.115 2.077 -2.891 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.333 3.576 -1.988 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.047 4.402 -3.987 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.559 3.595 -3.571 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.129 1.770 -4.986 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.380 2.070 -4.998 1.00 0.00 H ATOM 82 HZ1 LYS A 5 7.357 4.406 -5.898 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.816 3.148 -6.906 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.472 3.316 -6.567 1.00 0.00 H ATOM 85 N ALA A 6 6.720 -0.995 -1.463 1.00 0.00 N ATOM 86 CA ALA A 6 5.883 -2.034 -2.113 1.00 0.00 C ATOM 87 C ALA A 6 4.783 -2.499 -1.158 1.00 0.00 C ATOM 88 O ALA A 6 3.678 -2.793 -1.569 1.00 0.00 O ATOM 89 CB ALA A 6 6.848 -3.172 -2.417 1.00 0.00 C ATOM 90 H ALA A 6 7.613 -1.238 -1.124 1.00 0.00 H ATOM 91 HA ALA A 6 5.466 -1.660 -3.025 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.303 -3.005 -3.384 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.317 -4.108 -2.422 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.616 -3.194 -1.662 1.00 0.00 H ATOM 95 N PHE A 7 5.074 -2.576 0.117 1.00 0.00 N ATOM 96 CA PHE A 7 4.036 -3.028 1.082 1.00 0.00 C ATOM 97 C PHE A 7 3.131 -1.858 1.485 1.00 0.00 C ATOM 98 O PHE A 7 1.928 -2.010 1.609 1.00 0.00 O ATOM 99 CB PHE A 7 4.800 -3.615 2.284 1.00 0.00 C ATOM 100 CG PHE A 7 5.390 -2.525 3.156 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.554 -1.710 3.924 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.779 -2.345 3.213 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.099 -0.713 4.742 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.324 -1.351 4.035 1.00 0.00 C ATOM 105 CZ PHE A 7 6.484 -0.535 4.798 1.00 0.00 C ATOM 106 H PHE A 7 5.967 -2.343 0.433 1.00 0.00 H ATOM 107 HA PHE A 7 3.443 -3.797 0.625 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.122 -4.208 2.877 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.596 -4.248 1.921 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.490 -1.847 3.880 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.432 -2.973 2.623 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.449 -0.084 5.331 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.395 -1.215 4.078 1.00 0.00 H ATOM 114 HZ PHE A 7 6.905 0.233 5.431 1.00 0.00 H ATOM 115 N TYR A 8 3.684 -0.691 1.673 1.00 0.00 N ATOM 116 CA TYR A 8 2.837 0.471 2.050 1.00 0.00 C ATOM 117 C TYR A 8 2.046 0.946 0.831 1.00 0.00 C ATOM 118 O TYR A 8 1.012 1.573 0.950 1.00 0.00 O ATOM 119 CB TYR A 8 3.810 1.551 2.523 1.00 0.00 C ATOM 120 CG TYR A 8 3.063 2.579 3.343 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.363 3.612 2.707 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.071 2.498 4.742 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.671 4.562 3.469 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.380 3.449 5.502 1.00 0.00 C ATOM 125 CZ TYR A 8 1.680 4.480 4.866 1.00 0.00 C ATOM 126 OH TYR A 8 0.999 5.416 5.618 1.00 0.00 O ATOM 127 H TYR A 8 4.648 -0.578 1.560 1.00 0.00 H ATOM 128 HA TYR A 8 2.175 0.201 2.849 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.579 1.098 3.129 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.259 2.031 1.668 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.356 3.676 1.629 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.612 1.702 5.233 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.131 5.359 2.978 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.385 3.387 6.580 1.00 0.00 H ATOM 135 HH TYR A 8 0.224 5.687 5.122 1.00 0.00 H ATOM 136 N ASP A 9 2.523 0.638 -0.345 1.00 0.00 N ATOM 137 CA ASP A 9 1.804 1.056 -1.577 1.00 0.00 C ATOM 138 C ASP A 9 0.667 0.078 -1.867 1.00 0.00 C ATOM 139 O ASP A 9 -0.435 0.471 -2.193 1.00 0.00 O ATOM 140 CB ASP A 9 2.854 1.014 -2.689 1.00 0.00 C ATOM 141 CG ASP A 9 2.176 1.192 -4.050 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.280 2.015 -4.140 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.565 0.502 -4.978 1.00 0.00 O ATOM 144 H ASP A 9 3.350 0.124 -0.416 1.00 0.00 H ATOM 145 HA ASP A 9 1.427 2.056 -1.464 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.570 1.808 -2.537 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.364 0.062 -2.666 1.00 0.00 H ATOM 148 N LYS A 10 0.926 -1.195 -1.746 1.00 0.00 N ATOM 149 CA LYS A 10 -0.141 -2.197 -2.008 1.00 0.00 C ATOM 150 C LYS A 10 -1.265 -2.037 -0.984 1.00 0.00 C ATOM 151 O LYS A 10 -2.430 -2.029 -1.327 1.00 0.00 O ATOM 152 CB LYS A 10 0.533 -3.561 -1.857 1.00 0.00 C ATOM 153 CG LYS A 10 -0.463 -4.661 -2.231 1.00 0.00 C ATOM 154 CD LYS A 10 0.229 -5.707 -3.109 1.00 0.00 C ATOM 155 CE LYS A 10 -0.496 -5.810 -4.454 1.00 0.00 C ATOM 156 NZ LYS A 10 0.583 -6.028 -5.458 1.00 0.00 N ATOM 157 H LYS A 10 1.818 -1.492 -1.478 1.00 0.00 H ATOM 158 HA LYS A 10 -0.520 -2.083 -3.007 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.392 -3.611 -2.511 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.848 -3.695 -0.834 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.832 -5.132 -1.331 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.290 -4.229 -2.774 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.257 -5.413 -3.275 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.204 -6.667 -2.614 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.182 -6.647 -4.446 1.00 0.00 H ATOM 166 HE3 LYS A 10 -1.021 -4.892 -4.669 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.830 -7.037 -5.490 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.423 -5.474 -5.190 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.252 -5.723 -6.394 1.00 0.00 H ATOM 170 N VAL A 11 -0.929 -1.909 0.273 1.00 0.00 N ATOM 171 CA VAL A 11 -1.993 -1.750 1.303 1.00 0.00 C ATOM 172 C VAL A 11 -2.832 -0.505 1.008 1.00 0.00 C ATOM 173 O VAL A 11 -4.046 -0.549 1.018 1.00 0.00 O ATOM 174 CB VAL A 11 -1.256 -1.607 2.638 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.497 -2.898 2.942 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.264 -0.445 2.562 1.00 0.00 C ATOM 177 H VAL A 11 0.018 -1.921 0.538 1.00 0.00 H ATOM 178 HA VAL A 11 -2.621 -2.625 1.322 1.00 0.00 H ATOM 179 HB VAL A 11 -1.974 -1.419 3.425 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.195 -3.664 3.245 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.210 -2.720 3.738 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.030 -3.222 2.057 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.543 -0.616 3.258 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.769 0.476 2.815 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.133 -0.375 1.560 1.00 0.00 H ATOM 186 N ALA A 12 -2.198 0.605 0.741 1.00 0.00 N ATOM 187 CA ALA A 12 -2.965 1.842 0.443 1.00 0.00 C ATOM 188 C ALA A 12 -3.783 1.657 -0.832 1.00 0.00 C ATOM 189 O ALA A 12 -4.796 2.298 -1.030 1.00 0.00 O ATOM 190 CB ALA A 12 -1.914 2.925 0.256 1.00 0.00 C ATOM 191 H ALA A 12 -1.220 0.625 0.734 1.00 0.00 H ATOM 192 HA ALA A 12 -3.604 2.092 1.264 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.942 2.525 0.500 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.137 3.756 0.909 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.922 3.258 -0.769 1.00 0.00 H ATOM 196 N GLU A 13 -3.358 0.779 -1.693 1.00 0.00 N ATOM 197 CA GLU A 13 -4.121 0.549 -2.944 1.00 0.00 C ATOM 198 C GLU A 13 -5.364 -0.278 -2.623 1.00 0.00 C ATOM 199 O GLU A 13 -6.386 -0.175 -3.277 1.00 0.00 O ATOM 200 CB GLU A 13 -3.156 -0.209 -3.869 1.00 0.00 C ATOM 201 CG GLU A 13 -3.937 -1.103 -4.839 1.00 0.00 C ATOM 202 CD GLU A 13 -2.956 -1.851 -5.744 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.801 -1.965 -5.367 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.376 -2.299 -6.799 1.00 0.00 O ATOM 205 H GLU A 13 -2.546 0.266 -1.514 1.00 0.00 H ATOM 206 HA GLU A 13 -4.398 1.488 -3.382 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.571 0.503 -4.432 1.00 0.00 H ATOM 208 HB3 GLU A 13 -2.496 -0.821 -3.273 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.526 -1.814 -4.277 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.591 -0.493 -5.446 1.00 0.00 H ATOM 211 N LYS A 14 -5.297 -1.073 -1.595 1.00 0.00 N ATOM 212 CA LYS A 14 -6.463 -1.877 -1.217 1.00 0.00 C ATOM 213 C LYS A 14 -7.328 -1.045 -0.301 1.00 0.00 C ATOM 214 O LYS A 14 -8.504 -1.262 -0.193 1.00 0.00 O ATOM 215 CB LYS A 14 -5.902 -3.094 -0.494 1.00 0.00 C ATOM 216 CG LYS A 14 -6.545 -4.363 -1.055 1.00 0.00 C ATOM 217 CD LYS A 14 -6.299 -5.526 -0.093 1.00 0.00 C ATOM 218 CE LYS A 14 -7.473 -5.639 0.883 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.087 -6.728 1.822 1.00 0.00 N ATOM 220 H LYS A 14 -4.492 -1.120 -1.058 1.00 0.00 H ATOM 221 HA LYS A 14 -7.006 -2.175 -2.086 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.833 -3.135 -0.643 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.118 -3.018 0.559 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.607 -4.206 -1.170 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.108 -4.594 -2.015 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.207 -6.444 -0.656 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.389 -5.349 0.460 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.607 -4.708 1.416 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.377 -5.907 0.357 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -6.570 -7.466 1.303 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.943 -7.138 2.247 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.478 -6.342 2.570 1.00 0.00 H ATOM 233 N PHE A 15 -6.746 -0.067 0.336 1.00 0.00 N ATOM 234 CA PHE A 15 -7.535 0.811 1.230 1.00 0.00 C ATOM 235 C PHE A 15 -8.334 1.778 0.365 1.00 0.00 C ATOM 236 O PHE A 15 -9.439 2.165 0.692 1.00 0.00 O ATOM 237 CB PHE A 15 -6.503 1.546 2.080 1.00 0.00 C ATOM 238 CG PHE A 15 -7.063 1.818 3.458 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.858 2.948 3.679 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.778 0.945 4.516 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.370 3.206 4.956 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.292 1.203 5.793 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.087 2.333 6.013 1.00 0.00 C ATOM 244 H PHE A 15 -5.791 0.100 0.207 1.00 0.00 H ATOM 245 HA PHE A 15 -8.186 0.230 1.846 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.617 0.935 2.169 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.249 2.481 1.605 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.077 3.622 2.863 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.165 0.072 4.347 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.983 4.079 5.125 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.075 0.529 6.609 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.482 2.533 6.998 1.00 0.00 H ATOM 253 N LYS A 16 -7.790 2.133 -0.764 1.00 0.00 N ATOM 254 CA LYS A 16 -8.518 3.033 -1.686 1.00 0.00 C ATOM 255 C LYS A 16 -9.568 2.203 -2.416 1.00 0.00 C ATOM 256 O LYS A 16 -10.612 2.687 -2.805 1.00 0.00 O ATOM 257 CB LYS A 16 -7.463 3.564 -2.655 1.00 0.00 C ATOM 258 CG LYS A 16 -8.130 4.477 -3.685 1.00 0.00 C ATOM 259 CD LYS A 16 -8.074 5.925 -3.197 1.00 0.00 C ATOM 260 CE LYS A 16 -6.987 6.683 -3.964 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.717 7.905 -3.152 1.00 0.00 N ATOM 262 H LYS A 16 -6.915 1.779 -1.018 1.00 0.00 H ATOM 263 HA LYS A 16 -8.972 3.841 -1.143 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.718 4.124 -2.106 1.00 0.00 H ATOM 265 HB3 LYS A 16 -6.990 2.736 -3.162 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.611 4.393 -4.629 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.161 4.182 -3.812 1.00 0.00 H ATOM 268 HD2 LYS A 16 -9.030 6.399 -3.365 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.844 5.942 -2.142 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.094 6.077 -4.045 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.343 6.962 -4.943 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.835 7.779 -2.618 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.504 8.067 -2.491 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.621 8.726 -3.784 1.00 0.00 H ATOM 275 N GLU A 17 -9.294 0.935 -2.579 1.00 0.00 N ATOM 276 CA GLU A 17 -10.262 0.036 -3.254 1.00 0.00 C ATOM 277 C GLU A 17 -11.134 -0.642 -2.188 1.00 0.00 C ATOM 278 O GLU A 17 -12.181 -1.189 -2.475 1.00 0.00 O ATOM 279 CB GLU A 17 -9.386 -0.977 -4.017 1.00 0.00 C ATOM 280 CG GLU A 17 -9.933 -2.403 -3.860 1.00 0.00 C ATOM 281 CD GLU A 17 -9.093 -3.369 -4.696 1.00 0.00 C ATOM 282 OE1 GLU A 17 -7.883 -3.208 -4.719 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.673 -4.256 -5.299 1.00 0.00 O ATOM 284 H GLU A 17 -8.450 0.569 -2.239 1.00 0.00 H ATOM 285 HA GLU A 17 -10.868 0.596 -3.937 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.374 -0.717 -5.065 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.379 -0.938 -3.629 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.884 -2.692 -2.820 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.957 -2.435 -4.195 1.00 0.00 H ATOM 290 N ALA A 18 -10.697 -0.600 -0.961 1.00 0.00 N ATOM 291 CA ALA A 18 -11.470 -1.227 0.140 1.00 0.00 C ATOM 292 C ALA A 18 -12.599 -0.293 0.575 1.00 0.00 C ATOM 293 O ALA A 18 -13.618 -0.721 1.078 1.00 0.00 O ATOM 294 CB ALA A 18 -10.452 -1.420 1.269 1.00 0.00 C ATOM 295 H ALA A 18 -9.857 -0.152 -0.763 1.00 0.00 H ATOM 296 HA ALA A 18 -11.860 -2.177 -0.171 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.963 -1.545 2.207 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.805 -0.553 1.321 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.850 -2.297 1.064 1.00 0.00 H ATOM 300 N PHE A 19 -12.422 0.985 0.379 1.00 0.00 N ATOM 301 CA PHE A 19 -13.481 1.953 0.772 1.00 0.00 C ATOM 302 C PHE A 19 -14.751 1.721 -0.052 1.00 0.00 C ATOM 303 O PHE A 19 -14.851 2.158 -1.180 1.00 0.00 O ATOM 304 CB PHE A 19 -12.888 3.326 0.475 1.00 0.00 C ATOM 305 CG PHE A 19 -12.230 3.868 1.720 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.947 3.920 2.922 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.905 4.317 1.675 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.339 4.422 4.078 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.297 4.820 2.832 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.014 4.872 4.034 1.00 0.00 C ATOM 311 H PHE A 19 -11.591 1.307 -0.030 1.00 0.00 H ATOM 312 HA PHE A 19 -13.691 1.870 1.822 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.154 3.236 -0.312 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.674 3.997 0.162 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.969 3.572 2.956 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.352 4.275 0.748 1.00 0.00 H ATOM 317 HE1 PHE A 19 -12.892 4.462 5.004 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.274 5.166 2.797 1.00 0.00 H ATOM 319 HZ PHE A 19 -10.544 5.259 4.926 1.00 0.00 H HETATM 320 N NH2 A 20 -15.735 1.041 0.472 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -16.552 0.884 -0.045 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -15.656 0.687 1.382 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 24 HETATM 1 C ACE A 1 12.047 -1.053 0.330 1.00 0.00 C HETATM 2 O ACE A 1 11.062 -0.338 0.321 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.951 -1.139 1.549 1.00 0.00 C HETATM 4 H1 ACE A 1 13.443 -2.101 1.558 1.00 0.00 H HETATM 5 H2 ACE A 1 12.354 -1.031 2.442 1.00 0.00 H HETATM 6 H3 ACE A 1 13.686 -0.355 1.508 1.00 0.00 H ATOM 7 N ASP A 2 12.341 -1.806 -0.687 1.00 0.00 N ATOM 8 CA ASP A 2 11.466 -1.791 -1.866 1.00 0.00 C ATOM 9 C ASP A 2 10.155 -2.391 -1.414 1.00 0.00 C ATOM 10 O ASP A 2 9.104 -2.007 -1.849 1.00 0.00 O ATOM 11 CB ASP A 2 12.153 -2.672 -2.908 1.00 0.00 C ATOM 12 CG ASP A 2 13.466 -2.015 -3.340 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.375 -1.961 -2.528 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.540 -1.578 -4.476 1.00 0.00 O ATOM 15 H ASP A 2 13.102 -2.403 -0.654 1.00 0.00 H ATOM 16 HA ASP A 2 11.333 -0.791 -2.236 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.355 -3.643 -2.482 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.508 -2.780 -3.767 1.00 0.00 H ATOM 19 N TRP A 3 10.241 -3.319 -0.498 1.00 0.00 N ATOM 20 CA TRP A 3 9.028 -3.967 0.060 1.00 0.00 C ATOM 21 C TRP A 3 8.223 -2.938 0.875 1.00 0.00 C ATOM 22 O TRP A 3 7.093 -3.174 1.250 1.00 0.00 O ATOM 23 CB TRP A 3 9.571 -5.076 0.978 1.00 0.00 C ATOM 24 CG TRP A 3 9.925 -4.446 2.276 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.595 -3.287 2.379 1.00 0.00 C ATOM 26 CD2 TRP A 3 9.620 -4.873 3.633 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.687 -2.937 3.694 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.126 -3.894 4.522 1.00 0.00 C ATOM 29 CE3 TRP A 3 8.965 -5.992 4.176 1.00 0.00 C ATOM 30 CZ2 TRP A 3 9.982 -4.019 5.903 1.00 0.00 C ATOM 31 CZ3 TRP A 3 8.822 -6.122 5.568 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.332 -5.139 6.429 1.00 0.00 C ATOM 33 H TRP A 3 11.117 -3.574 -0.157 1.00 0.00 H ATOM 34 HA TRP A 3 8.442 -4.385 -0.722 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.815 -5.832 1.129 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.452 -5.519 0.537 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.967 -2.703 1.556 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.104 -2.121 4.012 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.569 -6.753 3.521 1.00 0.00 H ATOM 40 HZ2 TRP A 3 10.376 -3.259 6.562 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.320 -6.986 5.977 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.220 -5.245 7.497 1.00 0.00 H ATOM 43 N PHE A 4 8.821 -1.810 1.165 1.00 0.00 N ATOM 44 CA PHE A 4 8.123 -0.767 1.958 1.00 0.00 C ATOM 45 C PHE A 4 7.376 0.137 0.998 1.00 0.00 C ATOM 46 O PHE A 4 6.209 0.422 1.167 1.00 0.00 O ATOM 47 CB PHE A 4 9.222 -0.002 2.693 1.00 0.00 C ATOM 48 CG PHE A 4 8.617 1.191 3.388 1.00 0.00 C ATOM 49 CD1 PHE A 4 7.981 1.032 4.625 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.694 2.455 2.796 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.423 2.140 5.272 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.133 3.564 3.442 1.00 0.00 C ATOM 53 CZ PHE A 4 7.500 3.406 4.680 1.00 0.00 C ATOM 54 H PHE A 4 9.732 -1.653 0.862 1.00 0.00 H ATOM 55 HA PHE A 4 7.449 -1.220 2.659 1.00 0.00 H ATOM 56 HB2 PHE A 4 9.685 -0.648 3.425 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.966 0.333 1.987 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.923 0.054 5.080 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.182 2.576 1.841 1.00 0.00 H ATOM 60 HE1 PHE A 4 6.933 2.018 6.227 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.193 4.541 2.985 1.00 0.00 H ATOM 62 HZ PHE A 4 7.069 4.262 5.179 1.00 0.00 H ATOM 63 N LYS A 5 8.033 0.548 -0.046 1.00 0.00 N ATOM 64 CA LYS A 5 7.350 1.372 -1.058 1.00 0.00 C ATOM 65 C LYS A 5 6.577 0.417 -1.971 1.00 0.00 C ATOM 66 O LYS A 5 5.730 0.818 -2.748 1.00 0.00 O ATOM 67 CB LYS A 5 8.460 2.079 -1.841 1.00 0.00 C ATOM 68 CG LYS A 5 9.442 2.736 -0.871 1.00 0.00 C ATOM 69 CD LYS A 5 10.701 3.163 -1.635 1.00 0.00 C ATOM 70 CE LYS A 5 11.933 2.522 -0.993 1.00 0.00 C ATOM 71 NZ LYS A 5 12.072 3.199 0.325 1.00 0.00 N ATOM 72 H LYS A 5 8.961 0.275 -0.181 1.00 0.00 H ATOM 73 HA LYS A 5 6.695 2.084 -0.593 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.983 1.356 -2.449 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.025 2.834 -2.477 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.980 3.604 -0.422 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.713 2.032 -0.099 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.624 2.843 -2.664 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.796 4.238 -1.598 1.00 0.00 H ATOM 80 HE2 LYS A 5 11.777 1.462 -0.861 1.00 0.00 H ATOM 81 HE3 LYS A 5 12.810 2.703 -1.596 1.00 0.00 H ATOM 82 HZ1 LYS A 5 12.406 4.172 0.182 1.00 0.00 H ATOM 83 HZ2 LYS A 5 12.756 2.678 0.910 1.00 0.00 H ATOM 84 HZ3 LYS A 5 11.150 3.219 0.804 1.00 0.00 H ATOM 85 N ALA A 6 6.866 -0.862 -1.864 1.00 0.00 N ATOM 86 CA ALA A 6 6.159 -1.862 -2.715 1.00 0.00 C ATOM 87 C ALA A 6 4.869 -2.297 -2.037 1.00 0.00 C ATOM 88 O ALA A 6 3.841 -2.432 -2.667 1.00 0.00 O ATOM 89 CB ALA A 6 7.126 -3.033 -2.858 1.00 0.00 C ATOM 90 H ALA A 6 7.545 -1.164 -1.214 1.00 0.00 H ATOM 91 HA ALA A 6 5.951 -1.445 -3.676 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.972 -2.727 -3.458 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.627 -3.860 -3.334 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.472 -3.331 -1.881 1.00 0.00 H ATOM 95 N PHE A 7 4.906 -2.491 -0.751 1.00 0.00 N ATOM 96 CA PHE A 7 3.672 -2.883 -0.037 1.00 0.00 C ATOM 97 C PHE A 7 2.910 -1.609 0.322 1.00 0.00 C ATOM 98 O PHE A 7 1.714 -1.618 0.527 1.00 0.00 O ATOM 99 CB PHE A 7 4.134 -3.682 1.198 1.00 0.00 C ATOM 100 CG PHE A 7 4.201 -2.803 2.429 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.097 -1.731 2.476 1.00 0.00 C ATOM 102 CD2 PHE A 7 3.365 -3.066 3.521 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.156 -0.919 3.616 1.00 0.00 C ATOM 104 CE2 PHE A 7 3.425 -2.256 4.660 1.00 0.00 C ATOM 105 CZ PHE A 7 4.320 -1.183 4.708 1.00 0.00 C ATOM 106 H PHE A 7 5.732 -2.359 -0.261 1.00 0.00 H ATOM 107 HA PHE A 7 3.071 -3.500 -0.675 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.436 -4.485 1.379 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.111 -4.099 1.005 1.00 0.00 H ATOM 110 HD1 PHE A 7 5.743 -1.532 1.636 1.00 0.00 H ATOM 111 HD2 PHE A 7 2.676 -3.896 3.484 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.848 -0.090 3.652 1.00 0.00 H ATOM 113 HE2 PHE A 7 2.780 -2.461 5.502 1.00 0.00 H ATOM 114 HZ PHE A 7 4.365 -0.556 5.587 1.00 0.00 H ATOM 115 N TYR A 8 3.601 -0.502 0.351 1.00 0.00 N ATOM 116 CA TYR A 8 2.928 0.784 0.641 1.00 0.00 C ATOM 117 C TYR A 8 2.083 1.156 -0.574 1.00 0.00 C ATOM 118 O TYR A 8 0.989 1.670 -0.454 1.00 0.00 O ATOM 119 CB TYR A 8 4.055 1.796 0.855 1.00 0.00 C ATOM 120 CG TYR A 8 3.524 3.193 0.655 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.904 3.866 1.714 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.650 3.814 -0.592 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.411 5.162 1.526 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.157 5.111 -0.781 1.00 0.00 C ATOM 125 CZ TYR A 8 2.537 5.785 0.277 1.00 0.00 C ATOM 126 OH TYR A 8 2.051 7.062 0.092 1.00 0.00 O ATOM 127 H TYR A 8 4.554 -0.517 0.149 1.00 0.00 H ATOM 128 HA TYR A 8 2.320 0.703 1.524 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.443 1.697 1.858 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.844 1.609 0.141 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.807 3.385 2.676 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.129 3.293 -1.408 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.932 5.680 2.342 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.255 5.590 -1.744 1.00 0.00 H ATOM 135 HH TYR A 8 1.544 7.303 0.871 1.00 0.00 H ATOM 136 N ASP A 9 2.581 0.873 -1.751 1.00 0.00 N ATOM 137 CA ASP A 9 1.800 1.179 -2.974 1.00 0.00 C ATOM 138 C ASP A 9 0.644 0.187 -3.069 1.00 0.00 C ATOM 139 O ASP A 9 -0.511 0.559 -3.132 1.00 0.00 O ATOM 140 CB ASP A 9 2.776 0.993 -4.139 1.00 0.00 C ATOM 141 CG ASP A 9 1.991 0.786 -5.439 1.00 0.00 C ATOM 142 OD1 ASP A 9 0.872 1.265 -5.512 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.522 0.152 -6.335 1.00 0.00 O ATOM 144 H ASP A 9 3.458 0.438 -1.825 1.00 0.00 H ATOM 145 HA ASP A 9 1.438 2.192 -2.945 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.400 1.871 -4.232 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.397 0.130 -3.956 1.00 0.00 H ATOM 148 N LYS A 10 0.954 -1.081 -3.063 1.00 0.00 N ATOM 149 CA LYS A 10 -0.116 -2.114 -3.139 1.00 0.00 C ATOM 150 C LYS A 10 -1.144 -1.907 -2.021 1.00 0.00 C ATOM 151 O LYS A 10 -2.327 -1.783 -2.269 1.00 0.00 O ATOM 152 CB LYS A 10 0.610 -3.444 -2.955 1.00 0.00 C ATOM 153 CG LYS A 10 0.783 -4.125 -4.314 1.00 0.00 C ATOM 154 CD LYS A 10 2.143 -3.751 -4.907 1.00 0.00 C ATOM 155 CE LYS A 10 2.519 -4.756 -5.998 1.00 0.00 C ATOM 156 NZ LYS A 10 3.120 -5.909 -5.271 1.00 0.00 N ATOM 157 H LYS A 10 1.896 -1.353 -3.005 1.00 0.00 H ATOM 158 HA LYS A 10 -0.594 -2.093 -4.101 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.578 -3.263 -2.514 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.029 -4.082 -2.307 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.726 -5.197 -4.189 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.001 -3.798 -4.981 1.00 0.00 H ATOM 163 HD2 LYS A 10 2.089 -2.760 -5.333 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.892 -3.768 -4.130 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.636 -5.068 -6.540 1.00 0.00 H ATOM 166 HE3 LYS A 10 3.244 -4.326 -6.673 1.00 0.00 H ATOM 167 HZ1 LYS A 10 4.156 -5.825 -5.286 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.835 -6.797 -5.733 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.790 -5.909 -4.284 1.00 0.00 H ATOM 170 N VAL A 11 -0.705 -1.873 -0.790 1.00 0.00 N ATOM 171 CA VAL A 11 -1.664 -1.680 0.339 1.00 0.00 C ATOM 172 C VAL A 11 -2.499 -0.424 0.117 1.00 0.00 C ATOM 173 O VAL A 11 -3.691 -0.411 0.344 1.00 0.00 O ATOM 174 CB VAL A 11 -0.797 -1.539 1.595 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.234 -0.118 1.699 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.652 -1.833 2.832 1.00 0.00 C ATOM 177 H VAL A 11 0.251 -1.978 -0.607 1.00 0.00 H ATOM 178 HA VAL A 11 -2.304 -2.539 0.430 1.00 0.00 H ATOM 179 HB VAL A 11 0.016 -2.242 1.544 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.414 -0.053 2.562 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.046 0.586 1.806 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.331 0.115 0.807 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.218 -0.951 3.094 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.011 -2.106 3.656 1.00 0.00 H ATOM 185 HG23 VAL A 11 -2.330 -2.646 2.615 1.00 0.00 H ATOM 186 N ALA A 12 -1.882 0.630 -0.321 1.00 0.00 N ATOM 187 CA ALA A 12 -2.644 1.886 -0.552 1.00 0.00 C ATOM 188 C ALA A 12 -3.748 1.654 -1.579 1.00 0.00 C ATOM 189 O ALA A 12 -4.779 2.293 -1.543 1.00 0.00 O ATOM 190 CB ALA A 12 -1.625 2.887 -1.077 1.00 0.00 C ATOM 191 H ALA A 12 -0.918 0.596 -0.491 1.00 0.00 H ATOM 192 HA ALA A 12 -3.064 2.243 0.365 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.178 2.503 -1.981 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.860 3.042 -0.331 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.120 3.824 -1.287 1.00 0.00 H ATOM 196 N GLU A 13 -3.553 0.744 -2.488 1.00 0.00 N ATOM 197 CA GLU A 13 -4.614 0.490 -3.492 1.00 0.00 C ATOM 198 C GLU A 13 -5.702 -0.377 -2.872 1.00 0.00 C ATOM 199 O GLU A 13 -6.848 -0.353 -3.283 1.00 0.00 O ATOM 200 CB GLU A 13 -3.929 -0.228 -4.650 1.00 0.00 C ATOM 201 CG GLU A 13 -4.636 0.140 -5.957 1.00 0.00 C ATOM 202 CD GLU A 13 -3.625 0.748 -6.932 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.439 0.645 -6.667 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.057 1.308 -7.926 1.00 0.00 O ATOM 205 H GLU A 13 -2.724 0.228 -2.506 1.00 0.00 H ATOM 206 HA GLU A 13 -5.024 1.419 -3.829 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.894 0.075 -4.698 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.988 -1.294 -4.498 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.070 -0.748 -6.393 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.415 0.859 -5.753 1.00 0.00 H ATOM 211 N LYS A 14 -5.359 -1.114 -1.857 1.00 0.00 N ATOM 212 CA LYS A 14 -6.362 -1.949 -1.188 1.00 0.00 C ATOM 213 C LYS A 14 -7.030 -1.107 -0.130 1.00 0.00 C ATOM 214 O LYS A 14 -8.148 -1.345 0.233 1.00 0.00 O ATOM 215 CB LYS A 14 -5.584 -3.101 -0.564 1.00 0.00 C ATOM 216 CG LYS A 14 -5.206 -4.102 -1.652 1.00 0.00 C ATOM 217 CD LYS A 14 -5.984 -5.401 -1.442 1.00 0.00 C ATOM 218 CE LYS A 14 -5.769 -6.323 -2.643 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.965 -7.459 -2.114 1.00 0.00 N ATOM 220 H LYS A 14 -4.454 -1.093 -1.516 1.00 0.00 H ATOM 221 HA LYS A 14 -7.077 -2.314 -1.894 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.688 -2.718 -0.097 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.198 -3.589 0.176 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.450 -3.687 -2.621 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.148 -4.305 -1.603 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.632 -5.889 -0.545 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.037 -5.181 -1.343 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.721 -6.674 -3.021 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.221 -5.809 -3.416 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.175 -8.317 -2.659 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.202 -7.615 -1.112 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -3.952 -7.237 -2.199 1.00 0.00 H ATOM 233 N PHE A 15 -6.350 -0.100 0.341 1.00 0.00 N ATOM 234 CA PHE A 15 -6.953 0.787 1.360 1.00 0.00 C ATOM 235 C PHE A 15 -7.950 1.701 0.665 1.00 0.00 C ATOM 236 O PHE A 15 -8.961 2.082 1.220 1.00 0.00 O ATOM 237 CB PHE A 15 -5.786 1.583 1.943 1.00 0.00 C ATOM 238 CG PHE A 15 -6.315 2.664 2.853 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.957 3.783 2.311 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.158 2.550 4.241 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.443 4.788 3.155 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.645 3.555 5.084 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.288 4.674 4.541 1.00 0.00 C ATOM 244 H PHE A 15 -5.453 0.083 0.003 1.00 0.00 H ATOM 245 HA PHE A 15 -7.434 0.207 2.122 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.143 0.921 2.505 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.223 2.036 1.140 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.077 3.870 1.242 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.663 1.687 4.659 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.940 5.651 2.736 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.525 3.468 6.153 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.662 5.450 5.191 1.00 0.00 H ATOM 253 N LYS A 16 -7.681 2.023 -0.569 1.00 0.00 N ATOM 254 CA LYS A 16 -8.620 2.875 -1.331 1.00 0.00 C ATOM 255 C LYS A 16 -9.772 1.998 -1.813 1.00 0.00 C ATOM 256 O LYS A 16 -10.883 2.450 -2.004 1.00 0.00 O ATOM 257 CB LYS A 16 -7.814 3.413 -2.508 1.00 0.00 C ATOM 258 CG LYS A 16 -8.425 4.729 -2.993 1.00 0.00 C ATOM 259 CD LYS A 16 -8.017 4.973 -4.446 1.00 0.00 C ATOM 260 CE LYS A 16 -9.236 5.418 -5.257 1.00 0.00 C ATOM 261 NZ LYS A 16 -9.598 4.235 -6.087 1.00 0.00 N ATOM 262 H LYS A 16 -6.873 1.679 -0.998 1.00 0.00 H ATOM 263 HA LYS A 16 -8.976 3.681 -0.722 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.794 3.584 -2.194 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.828 2.695 -3.311 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.503 4.675 -2.922 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.064 5.541 -2.378 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.260 5.744 -4.481 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.623 4.059 -4.865 1.00 0.00 H ATOM 270 HE2 LYS A 16 -10.052 5.681 -4.598 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.981 6.251 -5.893 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.739 3.835 -6.514 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -10.256 4.529 -6.839 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -10.052 3.517 -5.488 1.00 0.00 H ATOM 275 N GLU A 17 -9.506 0.732 -1.989 1.00 0.00 N ATOM 276 CA GLU A 17 -10.572 -0.200 -2.432 1.00 0.00 C ATOM 277 C GLU A 17 -11.191 -0.873 -1.206 1.00 0.00 C ATOM 278 O GLU A 17 -12.274 -1.420 -1.257 1.00 0.00 O ATOM 279 CB GLU A 17 -9.862 -1.224 -3.320 1.00 0.00 C ATOM 280 CG GLU A 17 -10.774 -2.431 -3.541 1.00 0.00 C ATOM 281 CD GLU A 17 -10.032 -3.492 -4.357 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.293 -4.259 -3.763 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.213 -3.517 -5.564 1.00 0.00 O ATOM 284 H GLU A 17 -8.605 0.390 -1.813 1.00 0.00 H ATOM 285 HA GLU A 17 -11.315 0.329 -2.994 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.627 -0.771 -4.272 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.951 -1.548 -2.840 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.056 -2.846 -2.585 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.659 -2.123 -4.077 1.00 0.00 H ATOM 290 N ALA A 18 -10.503 -0.815 -0.097 1.00 0.00 N ATOM 291 CA ALA A 18 -11.027 -1.423 1.152 1.00 0.00 C ATOM 292 C ALA A 18 -11.930 -0.412 1.855 1.00 0.00 C ATOM 293 O ALA A 18 -12.796 -0.762 2.632 1.00 0.00 O ATOM 294 CB ALA A 18 -9.782 -1.720 1.997 1.00 0.00 C ATOM 295 H ALA A 18 -9.645 -0.358 -0.085 1.00 0.00 H ATOM 296 HA ALA A 18 -11.557 -2.330 0.936 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.133 -0.854 1.996 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.251 -2.561 1.569 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.071 -1.953 3.007 1.00 0.00 H ATOM 300 N PHE A 19 -11.729 0.847 1.571 1.00 0.00 N ATOM 301 CA PHE A 19 -12.557 1.906 2.197 1.00 0.00 C ATOM 302 C PHE A 19 -13.408 2.607 1.135 1.00 0.00 C ATOM 303 O PHE A 19 -12.889 3.260 0.250 1.00 0.00 O ATOM 304 CB PHE A 19 -11.556 2.881 2.810 1.00 0.00 C ATOM 305 CG PHE A 19 -11.121 2.374 4.162 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.066 2.196 5.176 1.00 0.00 C ATOM 307 CD2 PHE A 19 -9.773 2.080 4.400 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.667 1.724 6.431 1.00 0.00 C ATOM 309 CE2 PHE A 19 -9.372 1.608 5.655 1.00 0.00 C ATOM 310 CZ PHE A 19 -10.319 1.429 6.671 1.00 0.00 C ATOM 311 H PHE A 19 -11.031 1.094 0.940 1.00 0.00 H ATOM 312 HA PHE A 19 -13.174 1.488 2.962 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.696 2.966 2.163 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.021 3.849 2.923 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.106 2.424 4.990 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.043 2.217 3.616 1.00 0.00 H ATOM 317 HE1 PHE A 19 -12.399 1.587 7.213 1.00 0.00 H ATOM 318 HE2 PHE A 19 -8.331 1.381 5.839 1.00 0.00 H ATOM 319 HZ PHE A 19 -10.011 1.063 7.639 1.00 0.00 H HETATM 320 N NH2 A 20 -14.707 2.496 1.181 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -15.261 2.938 0.504 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -15.128 1.971 1.893 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 25 HETATM 1 C ACE A 1 12.308 -1.281 -0.883 1.00 0.00 C HETATM 2 O ACE A 1 11.358 -0.525 -0.798 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.359 -1.354 0.215 1.00 0.00 C HETATM 4 H1 ACE A 1 14.242 -1.841 -0.169 1.00 0.00 H HETATM 5 H2 ACE A 1 12.965 -1.922 1.047 1.00 0.00 H HETATM 6 H3 ACE A 1 13.606 -0.359 0.544 1.00 0.00 H ATOM 7 N ASP A 2 12.438 -2.086 -1.895 1.00 0.00 N ATOM 8 CA ASP A 2 11.415 -2.076 -2.948 1.00 0.00 C ATOM 9 C ASP A 2 10.175 -2.629 -2.288 1.00 0.00 C ATOM 10 O ASP A 2 9.072 -2.195 -2.528 1.00 0.00 O ATOM 11 CB ASP A 2 11.951 -2.993 -4.066 1.00 0.00 C ATOM 12 CG ASP A 2 11.399 -4.420 -3.924 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.264 -4.638 -4.317 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.123 -5.270 -3.430 1.00 0.00 O ATOM 15 H ASP A 2 13.174 -2.713 -1.936 1.00 0.00 H ATOM 16 HA ASP A 2 11.251 -1.077 -3.312 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.654 -2.593 -5.024 1.00 0.00 H ATOM 18 HB3 ASP A 2 13.030 -3.024 -4.015 1.00 0.00 H ATOM 19 N TRP A 3 10.395 -3.574 -1.413 1.00 0.00 N ATOM 20 CA TRP A 3 9.291 -4.198 -0.654 1.00 0.00 C ATOM 21 C TRP A 3 8.693 -3.174 0.328 1.00 0.00 C ATOM 22 O TRP A 3 7.577 -3.312 0.774 1.00 0.00 O ATOM 23 CB TRP A 3 9.959 -5.344 0.135 1.00 0.00 C ATOM 24 CG TRP A 3 10.487 -4.756 1.397 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.412 -3.785 1.439 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.103 -5.022 2.776 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.595 -3.398 2.740 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.835 -4.149 3.613 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.205 -5.921 3.378 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.680 -4.161 4.999 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.048 -5.940 4.773 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.784 -5.061 5.583 1.00 0.00 C ATOM 33 H TRP A 3 11.313 -3.858 -1.241 1.00 0.00 H ATOM 34 HA TRP A 3 8.555 -4.586 -1.315 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.229 -6.110 0.360 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.768 -5.765 -0.439 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.898 -3.348 0.580 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.193 -2.692 3.025 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.635 -6.600 2.764 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.250 -3.481 5.615 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.357 -6.634 5.227 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.659 -5.082 6.655 1.00 0.00 H ATOM 43 N PHE A 4 9.461 -2.169 0.688 1.00 0.00 N ATOM 44 CA PHE A 4 8.980 -1.156 1.664 1.00 0.00 C ATOM 45 C PHE A 4 7.970 -0.271 0.974 1.00 0.00 C ATOM 46 O PHE A 4 6.809 -0.231 1.323 1.00 0.00 O ATOM 47 CB PHE A 4 10.239 -0.366 2.065 1.00 0.00 C ATOM 48 CG PHE A 4 9.873 1.042 2.484 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.064 1.257 3.608 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.346 2.133 1.742 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.728 2.562 3.988 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.010 3.438 2.123 1.00 0.00 C ATOM 53 CZ PHE A 4 9.200 3.653 3.245 1.00 0.00 C ATOM 54 H PHE A 4 10.361 -2.088 0.323 1.00 0.00 H ATOM 55 HA PHE A 4 8.550 -1.635 2.523 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.727 -0.867 2.886 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.913 -0.323 1.224 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.701 0.416 4.181 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.971 1.967 0.877 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.104 2.729 4.854 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.374 4.278 1.550 1.00 0.00 H ATOM 62 HZ PHE A 4 8.940 4.659 3.538 1.00 0.00 H ATOM 63 N LYS A 5 8.403 0.403 -0.038 1.00 0.00 N ATOM 64 CA LYS A 5 7.460 1.248 -0.792 1.00 0.00 C ATOM 65 C LYS A 5 6.492 0.322 -1.523 1.00 0.00 C ATOM 66 O LYS A 5 5.488 0.747 -2.064 1.00 0.00 O ATOM 67 CB LYS A 5 8.318 2.041 -1.779 1.00 0.00 C ATOM 68 CG LYS A 5 7.484 3.175 -2.383 1.00 0.00 C ATOM 69 CD LYS A 5 8.409 4.295 -2.864 1.00 0.00 C ATOM 70 CE LYS A 5 7.669 5.636 -2.802 1.00 0.00 C ATOM 71 NZ LYS A 5 6.803 5.659 -4.015 1.00 0.00 N ATOM 72 H LYS A 5 9.340 0.321 -0.320 1.00 0.00 H ATOM 73 HA LYS A 5 6.937 1.911 -0.130 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.169 2.456 -1.258 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.659 1.386 -2.565 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.914 2.795 -3.218 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.811 3.564 -1.635 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.284 4.335 -2.230 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.711 4.098 -3.881 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.067 5.689 -1.905 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.371 6.454 -2.833 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.311 4.749 -4.107 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.390 5.824 -4.857 1.00 0.00 H ATOM 84 HZ3 LYS A 5 6.102 6.421 -3.925 1.00 0.00 H ATOM 85 N ALA A 6 6.791 -0.957 -1.540 1.00 0.00 N ATOM 86 CA ALA A 6 5.898 -1.918 -2.237 1.00 0.00 C ATOM 87 C ALA A 6 4.719 -2.322 -1.348 1.00 0.00 C ATOM 88 O ALA A 6 3.643 -2.615 -1.833 1.00 0.00 O ATOM 89 CB ALA A 6 6.779 -3.120 -2.529 1.00 0.00 C ATOM 90 H ALA A 6 7.610 -1.285 -1.095 1.00 0.00 H ATOM 91 HA ALA A 6 5.553 -1.499 -3.159 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.171 -4.001 -2.641 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.464 -3.254 -1.711 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.335 -2.945 -3.440 1.00 0.00 H ATOM 95 N PHE A 7 4.899 -2.344 -0.053 1.00 0.00 N ATOM 96 CA PHE A 7 3.771 -2.738 0.826 1.00 0.00 C ATOM 97 C PHE A 7 2.971 -1.508 1.237 1.00 0.00 C ATOM 98 O PHE A 7 1.759 -1.546 1.309 1.00 0.00 O ATOM 99 CB PHE A 7 4.395 -3.475 2.030 1.00 0.00 C ATOM 100 CG PHE A 7 5.010 -2.512 3.034 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.203 -1.608 3.737 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.393 -2.539 3.275 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.771 -0.733 4.669 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.960 -1.662 4.209 1.00 0.00 C ATOM 105 CZ PHE A 7 6.149 -0.758 4.904 1.00 0.00 C ATOM 106 H PHE A 7 5.757 -2.109 0.333 1.00 0.00 H ATOM 107 HA PHE A 7 3.133 -3.406 0.287 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.628 -4.052 2.524 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.162 -4.148 1.669 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.141 -1.583 3.557 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.022 -3.238 2.746 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.145 -0.036 5.208 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.025 -1.682 4.391 1.00 0.00 H ATOM 114 HZ PHE A 7 6.588 -0.082 5.622 1.00 0.00 H ATOM 115 N TYR A 8 3.619 -0.408 1.485 1.00 0.00 N ATOM 116 CA TYR A 8 2.858 0.801 1.864 1.00 0.00 C ATOM 117 C TYR A 8 2.092 1.314 0.646 1.00 0.00 C ATOM 118 O TYR A 8 1.026 1.890 0.763 1.00 0.00 O ATOM 119 CB TYR A 8 3.899 1.822 2.314 1.00 0.00 C ATOM 120 CG TYR A 8 3.201 3.124 2.618 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.110 3.141 3.494 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.635 4.310 2.017 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.454 4.348 3.774 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.979 5.516 2.294 1.00 0.00 C ATOM 125 CZ TYR A 8 1.888 5.535 3.172 1.00 0.00 C ATOM 126 OH TYR A 8 1.240 6.726 3.442 1.00 0.00 O ATOM 127 H TYR A 8 4.590 -0.378 1.410 1.00 0.00 H ATOM 128 HA TYR A 8 2.183 0.581 2.671 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.402 1.461 3.200 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.620 1.975 1.525 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.774 2.225 3.958 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.476 4.296 1.341 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.612 4.360 4.450 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.315 6.432 1.829 1.00 0.00 H ATOM 135 HH TYR A 8 1.027 7.146 2.603 1.00 0.00 H ATOM 136 N ASP A 9 2.622 1.097 -0.528 1.00 0.00 N ATOM 137 CA ASP A 9 1.925 1.565 -1.753 1.00 0.00 C ATOM 138 C ASP A 9 0.748 0.642 -2.064 1.00 0.00 C ATOM 139 O ASP A 9 -0.393 1.055 -2.083 1.00 0.00 O ATOM 140 CB ASP A 9 2.973 1.494 -2.862 1.00 0.00 C ATOM 141 CG ASP A 9 2.323 1.833 -4.207 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.092 3.005 -4.453 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.070 0.914 -4.969 1.00 0.00 O ATOM 144 H ASP A 9 3.476 0.618 -0.603 1.00 0.00 H ATOM 145 HA ASP A 9 1.590 2.578 -1.625 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.764 2.201 -2.655 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.384 0.496 -2.904 1.00 0.00 H ATOM 148 N LYS A 10 1.021 -0.608 -2.305 1.00 0.00 N ATOM 149 CA LYS A 10 -0.076 -1.565 -2.612 1.00 0.00 C ATOM 150 C LYS A 10 -1.173 -1.477 -1.548 1.00 0.00 C ATOM 151 O LYS A 10 -2.348 -1.426 -1.858 1.00 0.00 O ATOM 152 CB LYS A 10 0.589 -2.936 -2.593 1.00 0.00 C ATOM 153 CG LYS A 10 -0.169 -3.881 -3.523 1.00 0.00 C ATOM 154 CD LYS A 10 -0.451 -5.194 -2.794 1.00 0.00 C ATOM 155 CE LYS A 10 -1.236 -4.903 -1.512 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.396 -5.835 -1.556 1.00 0.00 N ATOM 157 H LYS A 10 1.950 -0.920 -2.283 1.00 0.00 H ATOM 158 HA LYS A 10 -0.481 -1.370 -3.590 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.612 -2.841 -2.929 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.572 -3.330 -1.590 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.102 -3.424 -3.818 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.430 -4.080 -4.401 1.00 0.00 H ATOM 163 HD2 LYS A 10 -1.030 -5.844 -3.433 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.483 -5.673 -2.541 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.622 -5.102 -0.644 1.00 0.00 H ATOM 166 HE3 LYS A 10 -1.583 -3.882 -1.505 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -2.681 -6.080 -0.585 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -2.124 -6.700 -2.067 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -3.191 -5.379 -2.044 1.00 0.00 H ATOM 170 N VAL A 11 -0.807 -1.455 -0.294 1.00 0.00 N ATOM 171 CA VAL A 11 -1.843 -1.367 0.774 1.00 0.00 C ATOM 172 C VAL A 11 -2.733 -0.146 0.534 1.00 0.00 C ATOM 173 O VAL A 11 -3.943 -0.222 0.629 1.00 0.00 O ATOM 174 CB VAL A 11 -1.074 -1.242 2.074 1.00 0.00 C ATOM 175 CG1 VAL A 11 -2.043 -0.945 3.221 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.331 -2.552 2.356 1.00 0.00 C ATOM 177 H VAL A 11 0.143 -1.494 -0.056 1.00 0.00 H ATOM 178 HA VAL A 11 -2.427 -2.254 0.795 1.00 0.00 H ATOM 179 HB VAL A 11 -0.375 -0.446 1.980 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.700 -1.437 4.120 1.00 0.00 H ATOM 181 HG12 VAL A 11 -3.027 -1.308 2.967 1.00 0.00 H ATOM 182 HG13 VAL A 11 -2.086 0.122 3.389 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.474 -2.367 3.054 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.078 -2.939 1.434 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.014 -3.272 2.778 1.00 0.00 H ATOM 186 N ALA A 12 -2.152 0.979 0.200 1.00 0.00 N ATOM 187 CA ALA A 12 -2.988 2.182 -0.070 1.00 0.00 C ATOM 188 C ALA A 12 -3.994 1.849 -1.160 1.00 0.00 C ATOM 189 O ALA A 12 -5.097 2.353 -1.173 1.00 0.00 O ATOM 190 CB ALA A 12 -2.021 3.261 -0.535 1.00 0.00 C ATOM 191 H ALA A 12 -1.176 1.025 0.111 1.00 0.00 H ATOM 192 HA ALA A 12 -3.497 2.500 0.817 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.234 3.514 -1.561 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.010 2.898 -0.451 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.144 4.138 0.084 1.00 0.00 H ATOM 196 N GLU A 13 -3.632 0.982 -2.061 1.00 0.00 N ATOM 197 CA GLU A 13 -4.581 0.592 -3.129 1.00 0.00 C ATOM 198 C GLU A 13 -5.718 -0.206 -2.496 1.00 0.00 C ATOM 199 O GLU A 13 -6.832 -0.216 -2.979 1.00 0.00 O ATOM 200 CB GLU A 13 -3.774 -0.274 -4.090 1.00 0.00 C ATOM 201 CG GLU A 13 -4.315 -0.100 -5.511 1.00 0.00 C ATOM 202 CD GLU A 13 -4.671 -1.469 -6.090 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.780 -2.120 -6.610 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.829 -1.845 -6.003 1.00 0.00 O ATOM 205 H GLU A 13 -2.745 0.576 -2.022 1.00 0.00 H ATOM 206 HA GLU A 13 -4.957 1.460 -3.634 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.738 0.030 -4.059 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.858 -1.308 -3.799 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.198 0.524 -5.487 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.561 0.366 -6.129 1.00 0.00 H ATOM 211 N LYS A 14 -5.439 -0.861 -1.398 1.00 0.00 N ATOM 212 CA LYS A 14 -6.481 -1.638 -0.705 1.00 0.00 C ATOM 213 C LYS A 14 -7.281 -0.696 0.182 1.00 0.00 C ATOM 214 O LYS A 14 -8.403 -0.961 0.529 1.00 0.00 O ATOM 215 CB LYS A 14 -5.723 -2.679 0.122 1.00 0.00 C ATOM 216 CG LYS A 14 -6.604 -3.175 1.269 1.00 0.00 C ATOM 217 CD LYS A 14 -5.969 -4.418 1.891 1.00 0.00 C ATOM 218 CE LYS A 14 -5.895 -4.253 3.411 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.508 -5.596 3.931 1.00 0.00 N ATOM 220 H LYS A 14 -4.547 -0.825 -1.021 1.00 0.00 H ATOM 221 HA LYS A 14 -7.119 -2.116 -1.420 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.455 -3.513 -0.511 1.00 0.00 H ATOM 223 HB3 LYS A 14 -4.827 -2.233 0.527 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.692 -2.400 2.017 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.584 -3.425 0.891 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.566 -5.285 1.652 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.973 -4.547 1.498 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.146 -3.517 3.670 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.857 -3.967 3.805 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.552 -5.549 4.337 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.518 -6.290 3.153 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.181 -5.891 4.668 1.00 0.00 H ATOM 233 N PHE A 15 -6.727 0.426 0.529 1.00 0.00 N ATOM 234 CA PHE A 15 -7.499 1.377 1.351 1.00 0.00 C ATOM 235 C PHE A 15 -8.484 2.078 0.424 1.00 0.00 C ATOM 236 O PHE A 15 -9.601 2.394 0.788 1.00 0.00 O ATOM 237 CB PHE A 15 -6.474 2.358 1.931 1.00 0.00 C ATOM 238 CG PHE A 15 -7.179 3.417 2.754 1.00 0.00 C ATOM 239 CD1 PHE A 15 -8.497 3.214 3.185 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.514 4.607 3.084 1.00 0.00 C ATOM 241 CE1 PHE A 15 -9.148 4.195 3.944 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.166 5.588 3.842 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.482 5.382 4.272 1.00 0.00 C ATOM 244 H PHE A 15 -5.826 0.651 0.228 1.00 0.00 H ATOM 245 HA PHE A 15 -8.015 0.859 2.132 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.779 1.819 2.558 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.935 2.831 1.123 1.00 0.00 H ATOM 248 HD1 PHE A 15 -9.010 2.299 2.933 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.498 4.768 2.755 1.00 0.00 H ATOM 250 HE1 PHE A 15 -10.163 4.037 4.276 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.654 6.505 4.097 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.985 6.139 4.857 1.00 0.00 H ATOM 253 N LYS A 16 -8.072 2.285 -0.796 1.00 0.00 N ATOM 254 CA LYS A 16 -8.957 2.935 -1.797 1.00 0.00 C ATOM 255 C LYS A 16 -9.823 1.876 -2.483 1.00 0.00 C ATOM 256 O LYS A 16 -10.839 2.175 -3.078 1.00 0.00 O ATOM 257 CB LYS A 16 -8.009 3.580 -2.809 1.00 0.00 C ATOM 258 CG LYS A 16 -7.179 4.662 -2.121 1.00 0.00 C ATOM 259 CD LYS A 16 -6.760 5.717 -3.149 1.00 0.00 C ATOM 260 CE LYS A 16 -6.256 5.030 -4.422 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.024 6.136 -5.392 1.00 0.00 N ATOM 262 H LYS A 16 -7.177 1.991 -1.058 1.00 0.00 H ATOM 263 HA LYS A 16 -9.565 3.684 -1.330 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.353 2.824 -3.215 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.585 4.024 -3.608 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.768 5.127 -1.344 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.296 4.217 -1.688 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.608 6.345 -3.387 1.00 0.00 H ATOM 269 HD3 LYS A 16 -5.968 6.325 -2.735 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.334 4.502 -4.223 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.005 4.352 -4.806 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.777 7.003 -4.875 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.891 6.296 -5.947 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.244 5.881 -6.029 1.00 0.00 H ATOM 275 N GLU A 17 -9.424 0.638 -2.396 1.00 0.00 N ATOM 276 CA GLU A 17 -10.210 -0.450 -3.030 1.00 0.00 C ATOM 277 C GLU A 17 -11.092 -1.104 -1.973 1.00 0.00 C ATOM 278 O GLU A 17 -12.281 -1.278 -2.150 1.00 0.00 O ATOM 279 CB GLU A 17 -9.165 -1.435 -3.565 1.00 0.00 C ATOM 280 CG GLU A 17 -9.839 -2.757 -3.938 1.00 0.00 C ATOM 281 CD GLU A 17 -10.537 -2.616 -5.292 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.225 -1.675 -6.005 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.372 -3.452 -5.593 1.00 0.00 O ATOM 284 H GLU A 17 -8.608 0.422 -1.905 1.00 0.00 H ATOM 285 HA GLU A 17 -10.802 -0.059 -3.831 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.689 -1.013 -4.438 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.420 -1.617 -2.803 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.091 -3.534 -3.998 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.567 -3.016 -3.186 1.00 0.00 H ATOM 290 N ALA A 18 -10.508 -1.450 -0.869 1.00 0.00 N ATOM 291 CA ALA A 18 -11.281 -2.074 0.231 1.00 0.00 C ATOM 292 C ALA A 18 -12.189 -1.021 0.872 1.00 0.00 C ATOM 293 O ALA A 18 -13.169 -1.341 1.514 1.00 0.00 O ATOM 294 CB ALA A 18 -10.216 -2.555 1.218 1.00 0.00 C ATOM 295 H ALA A 18 -9.556 -1.291 -0.761 1.00 0.00 H ATOM 296 HA ALA A 18 -11.854 -2.906 -0.133 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.634 -3.307 1.866 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.868 -1.719 1.809 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.382 -2.973 0.668 1.00 0.00 H ATOM 300 N PHE A 19 -11.862 0.235 0.692 1.00 0.00 N ATOM 301 CA PHE A 19 -12.692 1.337 1.272 1.00 0.00 C ATOM 302 C PHE A 19 -13.166 0.985 2.685 1.00 0.00 C ATOM 303 O PHE A 19 -12.683 0.049 3.292 1.00 0.00 O ATOM 304 CB PHE A 19 -13.880 1.503 0.311 1.00 0.00 C ATOM 305 CG PHE A 19 -14.748 0.262 0.323 1.00 0.00 C ATOM 306 CD1 PHE A 19 -15.582 -0.011 1.417 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.715 -0.622 -0.763 1.00 0.00 C ATOM 308 CE1 PHE A 19 -16.374 -1.164 1.424 1.00 0.00 C ATOM 309 CE2 PHE A 19 -15.511 -1.774 -0.756 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.338 -2.045 0.337 1.00 0.00 C ATOM 311 H PHE A 19 -11.061 0.459 0.166 1.00 0.00 H ATOM 312 HA PHE A 19 -12.120 2.249 1.296 1.00 0.00 H ATOM 313 HB2 PHE A 19 -14.469 2.356 0.613 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.506 1.666 -0.691 1.00 0.00 H ATOM 315 HD1 PHE A 19 -15.616 0.667 2.252 1.00 0.00 H ATOM 316 HD2 PHE A 19 -14.081 -0.412 -1.610 1.00 0.00 H ATOM 317 HE1 PHE A 19 -17.015 -1.373 2.268 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.484 -2.455 -1.594 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.946 -2.933 0.344 1.00 0.00 H HETATM 320 N NH2 A 20 -14.087 1.719 3.248 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.392 1.512 4.157 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.477 2.474 2.760 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 26 HETATM 1 C ACE A 1 11.669 -1.615 -0.441 1.00 0.00 C HETATM 2 O ACE A 1 10.826 -0.761 -0.245 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.952 -1.660 0.375 1.00 0.00 C HETATM 4 H1 ACE A 1 13.379 -2.651 0.308 1.00 0.00 H HETATM 5 H2 ACE A 1 12.727 -1.438 1.408 1.00 0.00 H HETATM 6 H3 ACE A 1 13.649 -0.937 -0.009 1.00 0.00 H ATOM 7 N ASP A 2 11.490 -2.553 -1.325 1.00 0.00 N ATOM 8 CA ASP A 2 10.238 -2.590 -2.114 1.00 0.00 C ATOM 9 C ASP A 2 9.088 -2.906 -1.161 1.00 0.00 C ATOM 10 O ASP A 2 7.930 -2.858 -1.505 1.00 0.00 O ATOM 11 CB ASP A 2 10.432 -3.710 -3.132 1.00 0.00 C ATOM 12 CG ASP A 2 11.028 -3.136 -4.418 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.161 -2.688 -4.374 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.339 -3.149 -5.426 1.00 0.00 O ATOM 15 H ASP A 2 12.161 -3.248 -1.443 1.00 0.00 H ATOM 16 HA ASP A 2 10.076 -1.655 -2.615 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.101 -4.451 -2.723 1.00 0.00 H ATOM 18 HB3 ASP A 2 9.477 -4.162 -3.351 1.00 0.00 H ATOM 19 N TRP A 3 9.406 -3.235 0.050 1.00 0.00 N ATOM 20 CA TRP A 3 8.349 -3.550 1.030 1.00 0.00 C ATOM 21 C TRP A 3 7.924 -2.231 1.630 1.00 0.00 C ATOM 22 O TRP A 3 6.786 -2.009 1.987 1.00 0.00 O ATOM 23 CB TRP A 3 8.996 -4.507 2.038 1.00 0.00 C ATOM 24 CG TRP A 3 9.941 -5.364 1.270 1.00 0.00 C ATOM 25 CD1 TRP A 3 9.763 -5.715 -0.022 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.196 -5.943 1.683 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.854 -6.410 -0.451 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.765 -6.611 0.575 1.00 0.00 C ATOM 29 CE3 TRP A 3 11.888 -5.945 2.895 1.00 0.00 C ATOM 30 CZ2 TRP A 3 12.996 -7.258 0.672 1.00 0.00 C ATOM 31 CZ3 TRP A 3 13.122 -6.601 3.005 1.00 0.00 C ATOM 32 CH2 TRP A 3 13.678 -7.256 1.894 1.00 0.00 C ATOM 33 H TRP A 3 10.339 -3.280 0.320 1.00 0.00 H ATOM 34 HA TRP A 3 7.543 -4.032 0.537 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.534 -3.943 2.787 1.00 0.00 H ATOM 36 HB3 TRP A 3 8.241 -5.120 2.504 1.00 0.00 H ATOM 37 HD1 TRP A 3 8.918 -5.436 -0.633 1.00 0.00 H ATOM 38 HE1 TRP A 3 10.972 -6.739 -1.360 1.00 0.00 H ATOM 39 HE3 TRP A 3 11.460 -5.443 3.750 1.00 0.00 H ATOM 40 HZ2 TRP A 3 13.420 -7.750 -0.186 1.00 0.00 H ATOM 41 HZ3 TRP A 3 13.648 -6.600 3.947 1.00 0.00 H ATOM 42 HH2 TRP A 3 14.628 -7.761 1.984 1.00 0.00 H ATOM 43 N PHE A 4 8.839 -1.317 1.668 1.00 0.00 N ATOM 44 CA PHE A 4 8.506 0.021 2.165 1.00 0.00 C ATOM 45 C PHE A 4 7.734 0.746 1.062 1.00 0.00 C ATOM 46 O PHE A 4 6.659 1.268 1.273 1.00 0.00 O ATOM 47 CB PHE A 4 9.853 0.694 2.431 1.00 0.00 C ATOM 48 CG PHE A 4 9.646 2.174 2.624 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.591 2.633 3.421 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.507 3.088 2.007 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.397 4.007 3.601 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.315 4.461 2.188 1.00 0.00 C ATOM 53 CZ PHE A 4 9.258 4.922 2.984 1.00 0.00 C ATOM 54 H PHE A 4 9.736 -1.499 1.322 1.00 0.00 H ATOM 55 HA PHE A 4 7.932 -0.043 3.066 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.293 0.273 3.323 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.512 0.530 1.591 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.926 1.926 3.896 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.322 2.733 1.393 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.583 4.361 4.216 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.979 5.167 1.712 1.00 0.00 H ATOM 62 HZ PHE A 4 9.111 5.982 3.124 1.00 0.00 H ATOM 63 N LYS A 5 8.284 0.767 -0.127 1.00 0.00 N ATOM 64 CA LYS A 5 7.605 1.452 -1.254 1.00 0.00 C ATOM 65 C LYS A 5 6.721 0.498 -2.081 1.00 0.00 C ATOM 66 O LYS A 5 5.635 0.874 -2.480 1.00 0.00 O ATOM 67 CB LYS A 5 8.737 2.026 -2.112 1.00 0.00 C ATOM 68 CG LYS A 5 9.320 0.934 -3.009 1.00 0.00 C ATOM 69 CD LYS A 5 10.335 1.555 -3.970 1.00 0.00 C ATOM 70 CE LYS A 5 11.524 2.102 -3.177 1.00 0.00 C ATOM 71 NZ LYS A 5 11.280 3.568 -3.086 1.00 0.00 N ATOM 72 H LYS A 5 9.143 0.334 -0.272 1.00 0.00 H ATOM 73 HA LYS A 5 7.011 2.260 -0.872 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.348 2.824 -2.728 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.513 2.416 -1.470 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.808 0.189 -2.398 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.527 0.474 -3.576 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.679 0.800 -4.663 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.868 2.360 -4.516 1.00 0.00 H ATOM 80 HE2 LYS A 5 11.553 1.659 -2.190 1.00 0.00 H ATOM 81 HE3 LYS A 5 12.447 1.911 -3.702 1.00 0.00 H ATOM 82 HZ1 LYS A 5 11.726 3.942 -2.225 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.256 3.747 -3.054 1.00 0.00 H ATOM 84 HZ3 LYS A 5 11.689 4.040 -3.918 1.00 0.00 H ATOM 85 N ALA A 6 7.146 -0.714 -2.376 1.00 0.00 N ATOM 86 CA ALA A 6 6.261 -1.584 -3.202 1.00 0.00 C ATOM 87 C ALA A 6 5.160 -2.221 -2.350 1.00 0.00 C ATOM 88 O ALA A 6 4.124 -2.599 -2.860 1.00 0.00 O ATOM 89 CB ALA A 6 7.163 -2.636 -3.833 1.00 0.00 C ATOM 90 H ALA A 6 8.029 -1.043 -2.078 1.00 0.00 H ATOM 91 HA ALA A 6 5.817 -0.997 -3.980 1.00 0.00 H ATOM 92 HB1 ALA A 6 8.195 -2.389 -3.632 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.997 -2.654 -4.901 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.933 -3.602 -3.415 1.00 0.00 H ATOM 95 N PHE A 7 5.345 -2.331 -1.059 1.00 0.00 N ATOM 96 CA PHE A 7 4.264 -2.922 -0.233 1.00 0.00 C ATOM 97 C PHE A 7 3.413 -1.800 0.366 1.00 0.00 C ATOM 98 O PHE A 7 2.207 -1.919 0.463 1.00 0.00 O ATOM 99 CB PHE A 7 4.955 -3.739 0.851 1.00 0.00 C ATOM 100 CG PHE A 7 4.974 -5.196 0.455 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.885 -5.641 -0.510 1.00 0.00 C ATOM 102 CD2 PHE A 7 4.088 -6.101 1.051 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.910 -6.989 -0.881 1.00 0.00 C ATOM 104 CE2 PHE A 7 4.112 -7.451 0.679 1.00 0.00 C ATOM 105 CZ PHE A 7 5.023 -7.895 -0.287 1.00 0.00 C ATOM 106 H PHE A 7 6.170 -2.013 -0.637 1.00 0.00 H ATOM 107 HA PHE A 7 3.658 -3.563 -0.839 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.958 -3.394 0.960 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.425 -3.627 1.782 1.00 0.00 H ATOM 110 HD1 PHE A 7 6.569 -4.942 -0.968 1.00 0.00 H ATOM 111 HD2 PHE A 7 3.384 -5.758 1.795 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.613 -7.331 -1.626 1.00 0.00 H ATOM 113 HE2 PHE A 7 3.428 -8.150 1.137 1.00 0.00 H ATOM 114 HZ PHE A 7 5.043 -8.935 -0.574 1.00 0.00 H ATOM 115 N TYR A 8 4.013 -0.695 0.748 1.00 0.00 N ATOM 116 CA TYR A 8 3.189 0.409 1.301 1.00 0.00 C ATOM 117 C TYR A 8 2.296 0.952 0.192 1.00 0.00 C ATOM 118 O TYR A 8 1.217 1.457 0.432 1.00 0.00 O ATOM 119 CB TYR A 8 4.173 1.476 1.774 1.00 0.00 C ATOM 120 CG TYR A 8 3.437 2.559 2.538 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.161 2.316 3.073 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.037 3.812 2.715 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.494 3.324 3.780 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.369 4.818 3.423 1.00 0.00 C ATOM 125 CZ TYR A 8 2.099 4.574 3.956 1.00 0.00 C ATOM 126 OH TYR A 8 1.443 5.567 4.656 1.00 0.00 O ATOM 127 H TYR A 8 4.985 -0.587 0.653 1.00 0.00 H ATOM 128 HA TYR A 8 2.601 0.050 2.123 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.910 1.022 2.418 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.662 1.913 0.918 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.691 1.355 2.940 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.016 4.003 2.304 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.513 3.136 4.192 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.834 5.784 3.558 1.00 0.00 H ATOM 135 HH TYR A 8 1.503 6.379 4.148 1.00 0.00 H ATOM 136 N ASP A 9 2.737 0.834 -1.032 1.00 0.00 N ATOM 137 CA ASP A 9 1.913 1.319 -2.165 1.00 0.00 C ATOM 138 C ASP A 9 0.799 0.306 -2.441 1.00 0.00 C ATOM 139 O ASP A 9 -0.360 0.657 -2.538 1.00 0.00 O ATOM 140 CB ASP A 9 2.874 1.413 -3.351 1.00 0.00 C ATOM 141 CG ASP A 9 2.083 1.705 -4.627 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.018 2.292 -4.520 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.554 1.336 -5.690 1.00 0.00 O ATOM 144 H ASP A 9 3.604 0.418 -1.205 1.00 0.00 H ATOM 145 HA ASP A 9 1.504 2.286 -1.940 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.583 2.210 -3.175 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.403 0.479 -3.463 1.00 0.00 H ATOM 148 N LYS A 10 1.140 -0.954 -2.557 1.00 0.00 N ATOM 149 CA LYS A 10 0.094 -1.986 -2.815 1.00 0.00 C ATOM 150 C LYS A 10 -1.040 -1.843 -1.797 1.00 0.00 C ATOM 151 O LYS A 10 -2.198 -1.731 -2.149 1.00 0.00 O ATOM 152 CB LYS A 10 0.801 -3.333 -2.642 1.00 0.00 C ATOM 153 CG LYS A 10 -0.192 -4.468 -2.909 1.00 0.00 C ATOM 154 CD LYS A 10 0.130 -5.130 -4.250 1.00 0.00 C ATOM 155 CE LYS A 10 -1.089 -5.033 -5.172 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.544 -4.601 -6.490 1.00 0.00 N ATOM 157 H LYS A 10 2.080 -1.217 -2.469 1.00 0.00 H ATOM 158 HA LYS A 10 -0.285 -1.895 -3.819 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.622 -3.398 -3.341 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.177 -3.415 -1.634 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.122 -5.201 -2.119 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.195 -4.069 -2.940 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.971 -4.628 -4.708 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.374 -6.169 -4.089 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.571 -5.998 -5.258 1.00 0.00 H ATOM 166 HE3 LYS A 10 -1.784 -4.297 -4.800 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.106 -3.802 -6.351 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.328 -4.310 -7.109 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.029 -5.390 -6.928 1.00 0.00 H ATOM 170 N VAL A 11 -0.722 -1.846 -0.533 1.00 0.00 N ATOM 171 CA VAL A 11 -1.793 -1.707 0.492 1.00 0.00 C ATOM 172 C VAL A 11 -2.626 -0.447 0.223 1.00 0.00 C ATOM 173 O VAL A 11 -3.839 -0.493 0.210 1.00 0.00 O ATOM 174 CB VAL A 11 -1.071 -1.612 1.841 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.578 -3.000 2.254 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.126 -0.663 1.737 1.00 0.00 C ATOM 177 H VAL A 11 0.215 -1.940 -0.260 1.00 0.00 H ATOM 178 HA VAL A 11 -2.427 -2.576 0.477 1.00 0.00 H ATOM 179 HB VAL A 11 -1.760 -1.242 2.587 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.409 -3.690 2.260 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.146 -2.949 3.241 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.169 -3.340 1.550 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.272 -0.374 0.710 1.00 0.00 H ATOM 184 HG22 VAL A 11 1.013 -1.163 2.100 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.060 0.216 2.334 1.00 0.00 H ATOM 186 N ALA A 12 -1.994 0.674 -0.002 1.00 0.00 N ATOM 187 CA ALA A 12 -2.770 1.918 -0.276 1.00 0.00 C ATOM 188 C ALA A 12 -3.799 1.661 -1.369 1.00 0.00 C ATOM 189 O ALA A 12 -4.887 2.196 -1.345 1.00 0.00 O ATOM 190 CB ALA A 12 -1.741 2.941 -0.731 1.00 0.00 C ATOM 191 H ALA A 12 -1.017 0.698 0.003 1.00 0.00 H ATOM 192 HA ALA A 12 -3.259 2.263 0.614 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.810 2.441 -0.945 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.591 3.666 0.055 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.100 3.439 -1.619 1.00 0.00 H ATOM 196 N GLU A 13 -3.478 0.827 -2.316 1.00 0.00 N ATOM 197 CA GLU A 13 -4.467 0.529 -3.377 1.00 0.00 C ATOM 198 C GLU A 13 -5.631 -0.206 -2.725 1.00 0.00 C ATOM 199 O GLU A 13 -6.772 -0.074 -3.116 1.00 0.00 O ATOM 200 CB GLU A 13 -3.726 -0.351 -4.394 1.00 0.00 C ATOM 201 CG GLU A 13 -4.705 -1.303 -5.094 1.00 0.00 C ATOM 202 CD GLU A 13 -4.526 -2.716 -4.534 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.567 -2.862 -3.323 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.350 -3.628 -5.325 1.00 0.00 O ATOM 205 H GLU A 13 -2.607 0.384 -2.313 1.00 0.00 H ATOM 206 HA GLU A 13 -4.804 1.440 -3.840 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.253 0.279 -5.133 1.00 0.00 H ATOM 208 HB3 GLU A 13 -2.974 -0.928 -3.885 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.719 -0.971 -4.921 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.503 -1.311 -6.154 1.00 0.00 H ATOM 211 N LYS A 14 -5.346 -0.961 -1.705 1.00 0.00 N ATOM 212 CA LYS A 14 -6.418 -1.689 -1.005 1.00 0.00 C ATOM 213 C LYS A 14 -7.059 -0.770 0.023 1.00 0.00 C ATOM 214 O LYS A 14 -8.158 -0.996 0.474 1.00 0.00 O ATOM 215 CB LYS A 14 -5.726 -2.870 -0.337 1.00 0.00 C ATOM 216 CG LYS A 14 -6.632 -4.096 -0.410 1.00 0.00 C ATOM 217 CD LYS A 14 -6.606 -4.821 0.934 1.00 0.00 C ATOM 218 CE LYS A 14 -8.032 -5.186 1.342 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.977 -6.645 1.629 1.00 0.00 N ATOM 220 H LYS A 14 -4.429 -1.034 -1.391 1.00 0.00 H ATOM 221 HA LYS A 14 -7.144 -2.031 -1.704 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.798 -3.076 -0.848 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.527 -2.633 0.695 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.643 -3.786 -0.633 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.279 -4.762 -1.183 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.014 -5.720 0.847 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.173 -4.175 1.684 1.00 0.00 H ATOM 228 HE2 LYS A 14 -8.323 -4.636 2.227 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.718 -4.994 0.532 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -8.940 -7.034 1.644 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.525 -6.799 2.553 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.424 -7.122 0.889 1.00 0.00 H ATOM 233 N PHE A 15 -6.393 0.280 0.387 1.00 0.00 N ATOM 234 CA PHE A 15 -6.995 1.208 1.363 1.00 0.00 C ATOM 235 C PHE A 15 -8.094 1.997 0.668 1.00 0.00 C ATOM 236 O PHE A 15 -9.124 2.303 1.237 1.00 0.00 O ATOM 237 CB PHE A 15 -5.863 2.136 1.801 1.00 0.00 C ATOM 238 CG PHE A 15 -5.256 1.650 3.096 1.00 0.00 C ATOM 239 CD1 PHE A 15 -4.458 0.501 3.109 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.483 2.359 4.283 1.00 0.00 C ATOM 241 CE1 PHE A 15 -3.888 0.058 4.308 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.913 1.916 5.481 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.115 0.765 5.494 1.00 0.00 C ATOM 244 H PHE A 15 -5.512 0.466 0.008 1.00 0.00 H ATOM 245 HA PHE A 15 -7.387 0.670 2.193 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.103 2.155 1.036 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.255 3.132 1.943 1.00 0.00 H ATOM 248 HD1 PHE A 15 -4.282 -0.044 2.195 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.098 3.247 4.273 1.00 0.00 H ATOM 250 HE1 PHE A 15 -3.273 -0.830 4.318 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.087 2.461 6.396 1.00 0.00 H ATOM 252 HZ PHE A 15 -3.675 0.423 6.419 1.00 0.00 H ATOM 253 N LYS A 16 -7.875 2.322 -0.569 1.00 0.00 N ATOM 254 CA LYS A 16 -8.895 3.097 -1.316 1.00 0.00 C ATOM 255 C LYS A 16 -9.864 2.163 -2.036 1.00 0.00 C ATOM 256 O LYS A 16 -10.937 2.567 -2.443 1.00 0.00 O ATOM 257 CB LYS A 16 -8.105 3.941 -2.307 1.00 0.00 C ATOM 258 CG LYS A 16 -7.312 5.003 -1.543 1.00 0.00 C ATOM 259 CD LYS A 16 -8.256 5.780 -0.622 1.00 0.00 C ATOM 260 CE LYS A 16 -7.551 7.034 -0.102 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.000 7.695 -1.317 1.00 0.00 N ATOM 262 H LYS A 16 -7.039 2.053 -1.005 1.00 0.00 H ATOM 263 HA LYS A 16 -9.428 3.735 -0.640 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.426 3.307 -2.858 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.785 4.424 -2.990 1.00 0.00 H ATOM 266 HG2 LYS A 16 -6.545 4.523 -0.952 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.853 5.684 -2.244 1.00 0.00 H ATOM 268 HD2 LYS A 16 -9.140 6.068 -1.174 1.00 0.00 H ATOM 269 HD3 LYS A 16 -8.541 5.158 0.213 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.260 7.683 0.395 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.750 6.765 0.570 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.857 8.706 -1.128 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.669 7.580 -2.107 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.090 7.258 -1.568 1.00 0.00 H ATOM 275 N GLU A 17 -9.518 0.914 -2.182 1.00 0.00 N ATOM 276 CA GLU A 17 -10.458 -0.022 -2.854 1.00 0.00 C ATOM 277 C GLU A 17 -11.196 -0.819 -1.784 1.00 0.00 C ATOM 278 O GLU A 17 -12.392 -1.025 -1.850 1.00 0.00 O ATOM 279 CB GLU A 17 -9.597 -0.918 -3.769 1.00 0.00 C ATOM 280 CG GLU A 17 -9.468 -2.337 -3.198 1.00 0.00 C ATOM 281 CD GLU A 17 -8.809 -3.248 -4.237 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.355 -2.734 -5.245 1.00 0.00 O ATOM 283 OE2 GLU A 17 -8.773 -4.446 -4.004 1.00 0.00 O ATOM 284 H GLU A 17 -8.662 0.591 -1.829 1.00 0.00 H ATOM 285 HA GLU A 17 -11.156 0.538 -3.442 1.00 0.00 H ATOM 286 HB2 GLU A 17 -10.059 -0.971 -4.744 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.617 -0.484 -3.870 1.00 0.00 H ATOM 288 HG2 GLU A 17 -8.865 -2.311 -2.304 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.450 -2.719 -2.958 1.00 0.00 H ATOM 290 N ALA A 18 -10.483 -1.244 -0.783 1.00 0.00 N ATOM 291 CA ALA A 18 -11.114 -2.000 0.321 1.00 0.00 C ATOM 292 C ALA A 18 -11.843 -1.013 1.234 1.00 0.00 C ATOM 293 O ALA A 18 -12.743 -1.371 1.969 1.00 0.00 O ATOM 294 CB ALA A 18 -9.950 -2.664 1.054 1.00 0.00 C ATOM 295 H ALA A 18 -9.529 -1.048 -0.750 1.00 0.00 H ATOM 296 HA ALA A 18 -11.789 -2.741 -0.066 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.181 -2.928 0.343 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.299 -3.554 1.555 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.544 -1.976 1.781 1.00 0.00 H ATOM 300 N PHE A 19 -11.456 0.238 1.183 1.00 0.00 N ATOM 301 CA PHE A 19 -12.113 1.262 2.035 1.00 0.00 C ATOM 302 C PHE A 19 -11.927 2.659 1.428 1.00 0.00 C ATOM 303 O PHE A 19 -12.323 2.907 0.308 1.00 0.00 O ATOM 304 CB PHE A 19 -11.412 1.152 3.384 1.00 0.00 C ATOM 305 CG PHE A 19 -11.784 -0.163 4.024 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.117 -0.422 4.364 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.798 -1.126 4.269 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.465 -1.644 4.954 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.146 -2.348 4.859 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.478 -2.607 5.200 1.00 0.00 C ATOM 311 H PHE A 19 -10.732 0.502 0.582 1.00 0.00 H ATOM 312 HA PHE A 19 -13.155 1.037 2.144 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.344 1.196 3.236 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.726 1.964 4.020 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.878 0.320 4.174 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.770 -0.926 4.007 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.493 -1.843 5.218 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.384 -3.091 5.048 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.746 -3.550 5.655 1.00 0.00 H HETATM 320 N NH2 A 20 -11.333 3.593 2.123 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.211 4.485 1.737 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.011 3.403 3.028 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 27 HETATM 1 C ACE A 1 12.090 -0.397 -0.547 1.00 0.00 C HETATM 2 O ACE A 1 11.044 0.183 -0.334 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.148 -0.544 0.533 1.00 0.00 C HETATM 4 H1 ACE A 1 13.610 0.410 0.718 1.00 0.00 H HETATM 5 H2 ACE A 1 13.893 -1.254 0.206 1.00 0.00 H HETATM 6 H3 ACE A 1 12.682 -0.906 1.438 1.00 0.00 H ATOM 7 N ASP A 2 12.326 -0.963 -1.691 1.00 0.00 N ATOM 8 CA ASP A 2 11.312 -0.906 -2.752 1.00 0.00 C ATOM 9 C ASP A 2 10.215 -1.842 -2.299 1.00 0.00 C ATOM 10 O ASP A 2 9.055 -1.632 -2.544 1.00 0.00 O ATOM 11 CB ASP A 2 12.005 -1.419 -4.017 1.00 0.00 C ATOM 12 CG ASP A 2 12.614 -2.795 -3.746 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.599 -2.852 -3.029 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.085 -3.767 -4.258 1.00 0.00 O ATOM 15 H ASP A 2 13.139 -1.467 -1.827 1.00 0.00 H ATOM 16 HA ASP A 2 10.947 0.098 -2.885 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.282 -1.495 -4.819 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.787 -0.731 -4.302 1.00 0.00 H ATOM 19 N TRP A 3 10.618 -2.861 -1.588 1.00 0.00 N ATOM 20 CA TRP A 3 9.665 -3.849 -1.030 1.00 0.00 C ATOM 21 C TRP A 3 8.858 -3.194 0.106 1.00 0.00 C ATOM 22 O TRP A 3 7.760 -3.608 0.419 1.00 0.00 O ATOM 23 CB TRP A 3 10.561 -4.953 -0.469 1.00 0.00 C ATOM 24 CG TRP A 3 11.501 -4.295 0.472 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.136 -3.756 1.647 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.931 -4.059 0.336 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.222 -3.149 2.217 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.367 -3.332 1.467 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.883 -4.393 -0.647 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.700 -2.945 1.620 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.226 -4.012 -0.493 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.633 -3.290 0.638 1.00 0.00 C ATOM 33 H TRP A 3 11.570 -2.963 -1.398 1.00 0.00 H ATOM 34 HA TRP A 3 9.030 -4.230 -1.794 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.961 -5.684 0.053 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.112 -5.425 -1.268 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.133 -3.750 2.050 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.201 -2.660 3.055 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.579 -4.949 -1.521 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.007 -2.388 2.492 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.950 -4.276 -1.250 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.666 -2.998 0.752 1.00 0.00 H ATOM 43 N PHE A 4 9.405 -2.171 0.723 1.00 0.00 N ATOM 44 CA PHE A 4 8.685 -1.488 1.830 1.00 0.00 C ATOM 45 C PHE A 4 7.685 -0.542 1.209 1.00 0.00 C ATOM 46 O PHE A 4 6.490 -0.677 1.374 1.00 0.00 O ATOM 47 CB PHE A 4 9.752 -0.721 2.603 1.00 0.00 C ATOM 48 CG PHE A 4 9.500 -0.864 4.086 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.584 -2.122 4.692 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.185 0.265 4.855 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.352 -2.253 6.068 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.954 0.133 6.229 1.00 0.00 C ATOM 53 CZ PHE A 4 9.039 -1.126 6.836 1.00 0.00 C ATOM 54 H PHE A 4 10.285 -1.853 0.455 1.00 0.00 H ATOM 55 HA PHE A 4 8.202 -2.202 2.464 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.724 -1.121 2.363 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.710 0.321 2.330 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.826 -2.993 4.101 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.121 1.236 4.386 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.418 -3.224 6.536 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.711 1.003 6.822 1.00 0.00 H ATOM 62 HZ PHE A 4 8.860 -1.228 7.896 1.00 0.00 H ATOM 63 N LYS A 5 8.168 0.379 0.431 1.00 0.00 N ATOM 64 CA LYS A 5 7.242 1.284 -0.269 1.00 0.00 C ATOM 65 C LYS A 5 6.358 0.409 -1.152 1.00 0.00 C ATOM 66 O LYS A 5 5.294 0.805 -1.584 1.00 0.00 O ATOM 67 CB LYS A 5 8.132 2.208 -1.101 1.00 0.00 C ATOM 68 CG LYS A 5 8.736 1.424 -2.266 1.00 0.00 C ATOM 69 CD LYS A 5 7.948 1.724 -3.542 1.00 0.00 C ATOM 70 CE LYS A 5 8.483 3.008 -4.180 1.00 0.00 C ATOM 71 NZ LYS A 5 7.281 3.729 -4.695 1.00 0.00 N ATOM 72 H LYS A 5 9.132 0.436 0.272 1.00 0.00 H ATOM 73 HA LYS A 5 6.650 1.847 0.432 1.00 0.00 H ATOM 74 HB2 LYS A 5 7.543 3.028 -1.485 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.927 2.596 -0.480 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.768 1.718 -2.401 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.687 0.367 -2.054 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.058 0.902 -4.233 1.00 0.00 H ATOM 79 HD3 LYS A 5 6.905 1.852 -3.296 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.993 3.608 -3.437 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.150 2.772 -4.995 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.423 3.181 -4.486 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.369 3.853 -5.725 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.214 4.660 -4.239 1.00 0.00 H ATOM 85 N ALA A 6 6.791 -0.812 -1.392 1.00 0.00 N ATOM 86 CA ALA A 6 5.975 -1.744 -2.210 1.00 0.00 C ATOM 87 C ALA A 6 4.844 -2.292 -1.347 1.00 0.00 C ATOM 88 O ALA A 6 3.798 -2.660 -1.834 1.00 0.00 O ATOM 89 CB ALA A 6 6.926 -2.854 -2.629 1.00 0.00 C ATOM 90 H ALA A 6 7.648 -1.120 -1.012 1.00 0.00 H ATOM 91 HA ALA A 6 5.588 -1.245 -3.073 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.642 -3.021 -1.844 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.447 -2.558 -3.529 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.372 -3.757 -2.813 1.00 0.00 H ATOM 95 N PHE A 7 5.046 -2.326 -0.057 1.00 0.00 N ATOM 96 CA PHE A 7 3.984 -2.817 0.853 1.00 0.00 C ATOM 97 C PHE A 7 2.942 -1.716 1.021 1.00 0.00 C ATOM 98 O PHE A 7 1.759 -1.925 0.839 1.00 0.00 O ATOM 99 CB PHE A 7 4.685 -3.100 2.179 1.00 0.00 C ATOM 100 CG PHE A 7 5.392 -4.434 2.109 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.749 -5.539 1.538 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.691 -4.565 2.617 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.403 -6.775 1.477 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.344 -5.801 2.556 1.00 0.00 C ATOM 105 CZ PHE A 7 6.700 -6.906 1.986 1.00 0.00 C ATOM 106 H PHE A 7 5.893 -2.011 0.313 1.00 0.00 H ATOM 107 HA PHE A 7 3.539 -3.711 0.467 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.404 -2.321 2.377 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.952 -3.125 2.972 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.749 -5.439 1.146 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.189 -3.712 3.057 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.905 -7.627 1.038 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.343 -5.902 2.948 1.00 0.00 H ATOM 114 HZ PHE A 7 7.206 -7.861 1.938 1.00 0.00 H ATOM 115 N TYR A 8 3.385 -0.532 1.348 1.00 0.00 N ATOM 116 CA TYR A 8 2.438 0.601 1.507 1.00 0.00 C ATOM 117 C TYR A 8 1.695 0.822 0.192 1.00 0.00 C ATOM 118 O TYR A 8 0.581 1.304 0.168 1.00 0.00 O ATOM 119 CB TYR A 8 3.310 1.806 1.837 1.00 0.00 C ATOM 120 CG TYR A 8 2.771 2.503 3.063 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.927 1.919 4.325 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.118 3.735 2.938 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.432 2.567 5.463 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.623 4.384 4.075 1.00 0.00 C ATOM 125 CZ TYR A 8 1.780 3.799 5.338 1.00 0.00 C ATOM 126 OH TYR A 8 1.293 4.438 6.460 1.00 0.00 O ATOM 127 H TYR A 8 4.343 -0.388 1.473 1.00 0.00 H ATOM 128 HA TYR A 8 1.751 0.410 2.308 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.319 1.474 2.027 1.00 0.00 H ATOM 130 HB3 TYR A 8 3.304 2.490 1.005 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.430 0.967 4.421 1.00 0.00 H ATOM 132 HD2 TYR A 8 1.997 4.186 1.963 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.553 2.117 6.437 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.119 5.333 3.979 1.00 0.00 H ATOM 135 HH TYR A 8 0.340 4.500 6.376 1.00 0.00 H ATOM 136 N ASP A 9 2.309 0.468 -0.905 1.00 0.00 N ATOM 137 CA ASP A 9 1.642 0.646 -2.223 1.00 0.00 C ATOM 138 C ASP A 9 0.512 -0.377 -2.366 1.00 0.00 C ATOM 139 O ASP A 9 -0.622 -0.033 -2.629 1.00 0.00 O ATOM 140 CB ASP A 9 2.736 0.392 -3.262 1.00 0.00 C ATOM 141 CG ASP A 9 2.101 0.250 -4.647 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.545 1.225 -5.125 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.181 -0.832 -5.205 1.00 0.00 O ATOM 144 H ASP A 9 3.208 0.083 -0.861 1.00 0.00 H ATOM 145 HA ASP A 9 1.263 1.647 -2.319 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.429 1.220 -3.264 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.262 -0.517 -3.015 1.00 0.00 H ATOM 148 N LYS A 10 0.815 -1.635 -2.187 1.00 0.00 N ATOM 149 CA LYS A 10 -0.238 -2.681 -2.301 1.00 0.00 C ATOM 150 C LYS A 10 -1.382 -2.369 -1.335 1.00 0.00 C ATOM 151 O LYS A 10 -2.515 -2.193 -1.734 1.00 0.00 O ATOM 152 CB LYS A 10 0.451 -3.988 -1.908 1.00 0.00 C ATOM 153 CG LYS A 10 1.556 -4.316 -2.915 1.00 0.00 C ATOM 154 CD LYS A 10 0.960 -5.091 -4.092 1.00 0.00 C ATOM 155 CE LYS A 10 1.468 -4.496 -5.406 1.00 0.00 C ATOM 156 NZ LYS A 10 1.808 -5.671 -6.256 1.00 0.00 N ATOM 157 H LYS A 10 1.734 -1.888 -1.971 1.00 0.00 H ATOM 158 HA LYS A 10 -0.600 -2.745 -3.312 1.00 0.00 H ATOM 159 HB2 LYS A 10 0.880 -3.884 -0.922 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.274 -4.787 -1.901 1.00 0.00 H ATOM 161 HG2 LYS A 10 1.999 -3.399 -3.274 1.00 0.00 H ATOM 162 HG3 LYS A 10 2.313 -4.919 -2.436 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.257 -6.128 -4.026 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.117 -5.023 -4.060 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.692 -3.904 -5.872 1.00 0.00 H ATOM 166 HE3 LYS A 10 2.348 -3.897 -5.234 1.00 0.00 H ATOM 167 HZ1 LYS A 10 2.151 -5.343 -7.181 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.961 -6.260 -6.388 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.551 -6.230 -5.792 1.00 0.00 H ATOM 170 N VAL A 11 -1.091 -2.294 -0.065 1.00 0.00 N ATOM 171 CA VAL A 11 -2.160 -1.986 0.924 1.00 0.00 C ATOM 172 C VAL A 11 -2.893 -0.707 0.519 1.00 0.00 C ATOM 173 O VAL A 11 -4.097 -0.605 0.634 1.00 0.00 O ATOM 174 CB VAL A 11 -1.434 -1.793 2.257 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.903 -3.139 2.752 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.262 -0.823 2.075 1.00 0.00 C ATOM 177 H VAL A 11 -0.170 -2.438 0.236 1.00 0.00 H ATOM 178 HA VAL A 11 -2.852 -2.808 0.996 1.00 0.00 H ATOM 179 HB VAL A 11 -2.124 -1.390 2.984 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.569 -3.537 3.502 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.080 -3.003 3.179 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.842 -3.829 1.923 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.588 -1.177 2.642 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.546 0.156 2.429 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.004 -0.765 1.031 1.00 0.00 H ATOM 186 N ALA A 12 -2.172 0.269 0.041 1.00 0.00 N ATOM 187 CA ALA A 12 -2.825 1.537 -0.376 1.00 0.00 C ATOM 188 C ALA A 12 -3.791 1.274 -1.522 1.00 0.00 C ATOM 189 O ALA A 12 -4.783 1.954 -1.674 1.00 0.00 O ATOM 190 CB ALA A 12 -1.689 2.453 -0.814 1.00 0.00 C ATOM 191 H ALA A 12 -1.207 0.163 -0.045 1.00 0.00 H ATOM 192 HA ALA A 12 -3.345 1.974 0.450 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.095 3.284 -1.372 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.003 1.900 -1.435 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.173 2.823 0.058 1.00 0.00 H ATOM 196 N GLU A 13 -3.533 0.273 -2.314 1.00 0.00 N ATOM 197 CA GLU A 13 -4.471 -0.036 -3.417 1.00 0.00 C ATOM 198 C GLU A 13 -5.744 -0.611 -2.804 1.00 0.00 C ATOM 199 O GLU A 13 -6.847 -0.386 -3.270 1.00 0.00 O ATOM 200 CB GLU A 13 -3.761 -1.078 -4.282 1.00 0.00 C ATOM 201 CG GLU A 13 -2.703 -0.395 -5.152 1.00 0.00 C ATOM 202 CD GLU A 13 -1.736 -1.449 -5.697 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.062 -2.059 -6.703 1.00 0.00 O ATOM 204 OE2 GLU A 13 -0.687 -1.629 -5.100 1.00 0.00 O ATOM 205 H GLU A 13 -2.744 -0.282 -2.168 1.00 0.00 H ATOM 206 HA GLU A 13 -4.683 0.844 -3.990 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.288 -1.810 -3.646 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.484 -1.565 -4.918 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.184 0.114 -5.974 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.154 0.320 -4.558 1.00 0.00 H ATOM 211 N LYS A 14 -5.590 -1.330 -1.726 1.00 0.00 N ATOM 212 CA LYS A 14 -6.760 -1.907 -1.040 1.00 0.00 C ATOM 213 C LYS A 14 -7.383 -0.835 -0.162 1.00 0.00 C ATOM 214 O LYS A 14 -8.535 -0.896 0.194 1.00 0.00 O ATOM 215 CB LYS A 14 -6.202 -3.052 -0.196 1.00 0.00 C ATOM 216 CG LYS A 14 -7.308 -4.066 0.106 1.00 0.00 C ATOM 217 CD LYS A 14 -6.793 -5.095 1.113 1.00 0.00 C ATOM 218 CE LYS A 14 -6.592 -6.442 0.415 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.476 -7.094 1.154 1.00 0.00 N ATOM 220 H LYS A 14 -4.699 -1.466 -1.355 1.00 0.00 H ATOM 221 HA LYS A 14 -7.466 -2.278 -1.754 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.407 -3.540 -0.740 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.816 -2.655 0.729 1.00 0.00 H ATOM 224 HG2 LYS A 14 -8.164 -3.552 0.522 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.598 -4.568 -0.804 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.851 -4.758 1.521 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.509 -5.209 1.911 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.493 -7.038 0.485 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.316 -6.295 -0.617 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.243 -8.002 0.702 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.764 -7.261 2.140 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.640 -6.477 1.135 1.00 0.00 H ATOM 233 N PHE A 15 -6.630 0.167 0.180 1.00 0.00 N ATOM 234 CA PHE A 15 -7.196 1.243 1.017 1.00 0.00 C ATOM 235 C PHE A 15 -8.000 2.186 0.139 1.00 0.00 C ATOM 236 O PHE A 15 -8.939 2.819 0.579 1.00 0.00 O ATOM 237 CB PHE A 15 -6.004 1.956 1.643 1.00 0.00 C ATOM 238 CG PHE A 15 -6.083 1.841 3.147 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.820 2.776 3.887 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.422 0.796 3.803 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.895 2.663 5.282 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.496 0.684 5.196 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.232 1.618 5.936 1.00 0.00 C ATOM 244 H PHE A 15 -5.702 0.215 -0.125 1.00 0.00 H ATOM 245 HA PHE A 15 -7.815 0.823 1.777 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.090 1.499 1.294 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.021 2.996 1.361 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.331 3.584 3.382 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.853 0.077 3.233 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.463 3.385 5.852 1.00 0.00 H ATOM 251 HE2 PHE A 15 -4.985 -0.122 5.699 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.290 1.530 7.011 1.00 0.00 H ATOM 253 N LYS A 16 -7.652 2.268 -1.112 1.00 0.00 N ATOM 254 CA LYS A 16 -8.409 3.151 -2.024 1.00 0.00 C ATOM 255 C LYS A 16 -9.657 2.420 -2.496 1.00 0.00 C ATOM 256 O LYS A 16 -10.663 3.022 -2.817 1.00 0.00 O ATOM 257 CB LYS A 16 -7.468 3.441 -3.191 1.00 0.00 C ATOM 258 CG LYS A 16 -8.073 4.543 -4.062 1.00 0.00 C ATOM 259 CD LYS A 16 -7.434 4.508 -5.449 1.00 0.00 C ATOM 260 CE LYS A 16 -8.520 4.699 -6.510 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.848 5.421 -7.624 1.00 0.00 N ATOM 262 H LYS A 16 -6.907 1.736 -1.450 1.00 0.00 H ATOM 263 HA LYS A 16 -8.670 4.059 -1.523 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.510 3.762 -2.809 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.342 2.546 -3.780 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.137 4.386 -4.151 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.887 5.503 -3.606 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.706 5.303 -5.531 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.948 3.557 -5.601 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.886 3.739 -6.847 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.329 5.295 -6.119 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.486 6.332 -7.279 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.530 5.585 -8.392 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.056 4.848 -7.980 1.00 0.00 H ATOM 275 N GLU A 17 -9.606 1.117 -2.519 1.00 0.00 N ATOM 276 CA GLU A 17 -10.795 0.341 -2.944 1.00 0.00 C ATOM 277 C GLU A 17 -11.530 -0.167 -1.706 1.00 0.00 C ATOM 278 O GLU A 17 -12.702 0.089 -1.512 1.00 0.00 O ATOM 279 CB GLU A 17 -10.249 -0.824 -3.770 1.00 0.00 C ATOM 280 CG GLU A 17 -11.403 -1.747 -4.162 1.00 0.00 C ATOM 281 CD GLU A 17 -10.858 -3.136 -4.493 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.360 -3.309 -5.594 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.947 -4.004 -3.641 1.00 0.00 O ATOM 284 H GLU A 17 -8.789 0.650 -2.240 1.00 0.00 H ATOM 285 HA GLU A 17 -11.438 0.952 -3.541 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.771 -0.444 -4.661 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.531 -1.377 -3.183 1.00 0.00 H ATOM 288 HG2 GLU A 17 -12.100 -1.819 -3.339 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.909 -1.343 -5.027 1.00 0.00 H ATOM 290 N ALA A 18 -10.841 -0.877 -0.861 1.00 0.00 N ATOM 291 CA ALA A 18 -11.476 -1.397 0.375 1.00 0.00 C ATOM 292 C ALA A 18 -11.789 -0.236 1.325 1.00 0.00 C ATOM 293 O ALA A 18 -12.599 -0.357 2.222 1.00 0.00 O ATOM 294 CB ALA A 18 -10.428 -2.324 0.983 1.00 0.00 C ATOM 295 H ALA A 18 -9.900 -1.063 -1.038 1.00 0.00 H ATOM 296 HA ALA A 18 -12.367 -1.949 0.138 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.738 -2.635 0.211 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.909 -3.190 1.407 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.884 -1.797 1.754 1.00 0.00 H ATOM 300 N PHE A 19 -11.151 0.890 1.131 1.00 0.00 N ATOM 301 CA PHE A 19 -11.412 2.056 2.018 1.00 0.00 C ATOM 302 C PHE A 19 -11.685 3.311 1.184 1.00 0.00 C ATOM 303 O PHE A 19 -10.880 4.220 1.143 1.00 0.00 O ATOM 304 CB PHE A 19 -10.140 2.228 2.842 1.00 0.00 C ATOM 305 CG PHE A 19 -10.334 1.624 4.213 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.411 2.028 5.012 1.00 0.00 C ATOM 307 CD2 PHE A 19 -9.435 0.662 4.688 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.588 1.470 6.283 1.00 0.00 C ATOM 309 CE2 PHE A 19 -9.611 0.104 5.958 1.00 0.00 C ATOM 310 CZ PHE A 19 -10.689 0.507 6.756 1.00 0.00 C ATOM 311 H PHE A 19 -10.504 0.968 0.404 1.00 0.00 H ATOM 312 HA PHE A 19 -12.238 1.847 2.662 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.323 1.733 2.344 1.00 0.00 H ATOM 314 HB3 PHE A 19 -9.921 3.280 2.943 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.105 2.769 4.646 1.00 0.00 H ATOM 316 HD2 PHE A 19 -8.603 0.350 4.073 1.00 0.00 H ATOM 317 HE1 PHE A 19 -12.420 1.781 6.899 1.00 0.00 H ATOM 318 HE2 PHE A 19 -8.918 -0.638 6.323 1.00 0.00 H ATOM 319 HZ PHE A 19 -10.825 0.077 7.737 1.00 0.00 H HETATM 320 N NH2 A 20 -12.801 3.405 0.510 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.982 4.204 -0.027 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.455 2.675 0.538 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 28 HETATM 1 C ACE A 1 12.453 -1.085 -0.617 1.00 0.00 C HETATM 2 O ACE A 1 11.500 -0.401 -0.295 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.545 -1.436 0.378 1.00 0.00 C HETATM 4 H1 ACE A 1 13.167 -2.170 1.070 1.00 0.00 H HETATM 5 H2 ACE A 1 13.839 -0.553 0.916 1.00 0.00 H HETATM 6 H3 ACE A 1 14.394 -1.841 -0.151 1.00 0.00 H ATOM 7 N ASP A 2 12.553 -1.586 -1.813 1.00 0.00 N ATOM 8 CA ASP A 2 11.497 -1.321 -2.798 1.00 0.00 C ATOM 9 C ASP A 2 10.301 -2.118 -2.336 1.00 0.00 C ATOM 10 O ASP A 2 9.172 -1.720 -2.493 1.00 0.00 O ATOM 11 CB ASP A 2 12.038 -1.835 -4.131 1.00 0.00 C ATOM 12 CG ASP A 2 13.325 -1.083 -4.480 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.751 -0.276 -3.672 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.860 -1.326 -5.550 1.00 0.00 O ATOM 15 H ASP A 2 13.292 -2.168 -2.041 1.00 0.00 H ATOM 16 HA ASP A 2 11.274 -0.271 -2.850 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.247 -2.891 -4.052 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.306 -1.668 -4.906 1.00 0.00 H ATOM 19 N TRP A 3 10.578 -3.235 -1.714 1.00 0.00 N ATOM 20 CA TRP A 3 9.502 -4.091 -1.172 1.00 0.00 C ATOM 21 C TRP A 3 8.818 -3.354 -0.012 1.00 0.00 C ATOM 22 O TRP A 3 7.691 -3.638 0.346 1.00 0.00 O ATOM 23 CB TRP A 3 10.213 -5.349 -0.666 1.00 0.00 C ATOM 24 CG TRP A 3 11.294 -4.913 0.254 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.083 -4.262 1.409 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.737 -5.072 0.127 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.287 -3.945 1.970 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.347 -4.445 1.237 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.567 -5.677 -0.833 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.733 -4.417 1.392 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.964 -5.657 -0.677 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.546 -5.028 0.432 1.00 0.00 C ATOM 33 H TRP A 3 11.509 -3.496 -1.582 1.00 0.00 H ATOM 34 HA TRP A 3 8.809 -4.340 -1.938 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.511 -5.978 -0.136 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.637 -5.891 -1.497 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.120 -3.990 1.808 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.392 -3.438 2.788 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.129 -6.163 -1.692 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.177 -3.932 2.249 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.594 -6.127 -1.417 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.620 -5.015 0.545 1.00 0.00 H ATOM 43 N PHE A 4 9.499 -2.398 0.574 1.00 0.00 N ATOM 44 CA PHE A 4 8.905 -1.641 1.703 1.00 0.00 C ATOM 45 C PHE A 4 7.950 -0.624 1.127 1.00 0.00 C ATOM 46 O PHE A 4 6.756 -0.675 1.345 1.00 0.00 O ATOM 47 CB PHE A 4 10.080 -0.963 2.399 1.00 0.00 C ATOM 48 CG PHE A 4 9.935 -1.116 3.895 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.845 -0.539 4.557 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.892 -1.837 4.619 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.712 -0.682 5.944 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.759 -1.979 6.007 1.00 0.00 C ATOM 53 CZ PHE A 4 9.669 -1.401 6.668 1.00 0.00 C ATOM 54 H PHE A 4 10.398 -2.177 0.267 1.00 0.00 H ATOM 55 HA PHE A 4 8.405 -2.304 2.377 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.000 -1.425 2.075 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.090 0.086 2.144 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.105 0.016 3.998 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.733 -2.283 4.108 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.870 -0.236 6.455 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.497 -2.535 6.566 1.00 0.00 H ATOM 62 HZ PHE A 4 9.567 -1.511 7.738 1.00 0.00 H ATOM 63 N LYS A 5 8.462 0.266 0.335 1.00 0.00 N ATOM 64 CA LYS A 5 7.569 1.242 -0.318 1.00 0.00 C ATOM 65 C LYS A 5 6.641 0.452 -1.230 1.00 0.00 C ATOM 66 O LYS A 5 5.612 0.932 -1.663 1.00 0.00 O ATOM 67 CB LYS A 5 8.478 2.168 -1.122 1.00 0.00 C ATOM 68 CG LYS A 5 9.341 1.337 -2.074 1.00 0.00 C ATOM 69 CD LYS A 5 9.538 2.099 -3.385 1.00 0.00 C ATOM 70 CE LYS A 5 8.667 1.475 -4.476 1.00 0.00 C ATOM 71 NZ LYS A 5 7.363 2.186 -4.377 1.00 0.00 N ATOM 72 H LYS A 5 9.420 0.254 0.133 1.00 0.00 H ATOM 73 HA LYS A 5 7.005 1.795 0.415 1.00 0.00 H ATOM 74 HB2 LYS A 5 7.874 2.859 -1.692 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.117 2.718 -0.449 1.00 0.00 H ATOM 76 HG2 LYS A 5 10.303 1.152 -1.618 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.851 0.397 -2.277 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.257 3.134 -3.246 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.575 2.045 -3.681 1.00 0.00 H ATOM 80 HE2 LYS A 5 9.114 1.634 -5.449 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.530 0.421 -4.291 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.718 1.646 -3.768 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.947 2.282 -5.327 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.513 3.130 -3.967 1.00 0.00 H ATOM 85 N ALA A 6 6.989 -0.786 -1.502 1.00 0.00 N ATOM 86 CA ALA A 6 6.108 -1.619 -2.359 1.00 0.00 C ATOM 87 C ALA A 6 4.894 -2.036 -1.540 1.00 0.00 C ATOM 88 O ALA A 6 3.838 -2.309 -2.071 1.00 0.00 O ATOM 89 CB ALA A 6 6.949 -2.819 -2.755 1.00 0.00 C ATOM 90 H ALA A 6 7.821 -1.172 -1.120 1.00 0.00 H ATOM 91 HA ALA A 6 5.805 -1.076 -3.229 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.602 -2.544 -3.574 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.309 -3.629 -3.059 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.540 -3.120 -1.914 1.00 0.00 H ATOM 95 N PHE A 7 5.034 -2.054 -0.242 1.00 0.00 N ATOM 96 CA PHE A 7 3.883 -2.408 0.620 1.00 0.00 C ATOM 97 C PHE A 7 3.015 -1.169 0.800 1.00 0.00 C ATOM 98 O PHE A 7 1.841 -1.171 0.510 1.00 0.00 O ATOM 99 CB PHE A 7 4.479 -2.833 1.962 1.00 0.00 C ATOM 100 CG PHE A 7 5.429 -3.989 1.770 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.357 -4.779 0.617 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.377 -4.276 2.758 1.00 0.00 C ATOM 103 CE1 PHE A 7 6.236 -5.854 0.452 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.254 -5.351 2.595 1.00 0.00 C ATOM 105 CZ PHE A 7 7.184 -6.141 1.442 1.00 0.00 C ATOM 106 H PHE A 7 5.888 -1.814 0.164 1.00 0.00 H ATOM 107 HA PHE A 7 3.321 -3.209 0.185 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.012 -2.000 2.397 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.682 -3.133 2.626 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.627 -4.556 -0.146 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.430 -3.664 3.647 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.180 -6.463 -0.438 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.984 -5.570 3.358 1.00 0.00 H ATOM 114 HZ PHE A 7 7.862 -6.973 1.316 1.00 0.00 H ATOM 115 N TYR A 8 3.601 -0.102 1.264 1.00 0.00 N ATOM 116 CA TYR A 8 2.824 1.154 1.453 1.00 0.00 C ATOM 117 C TYR A 8 1.952 1.405 0.222 1.00 0.00 C ATOM 118 O TYR A 8 0.836 1.871 0.324 1.00 0.00 O ATOM 119 CB TYR A 8 3.889 2.242 1.607 1.00 0.00 C ATOM 120 CG TYR A 8 3.250 3.558 1.991 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.016 3.854 3.340 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.908 4.489 1.002 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.438 5.079 3.699 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.332 5.715 1.361 1.00 0.00 C ATOM 125 CZ TYR A 8 2.098 6.010 2.710 1.00 0.00 C ATOM 126 OH TYR A 8 1.533 7.219 3.066 1.00 0.00 O ATOM 127 H TYR A 8 4.558 -0.123 1.479 1.00 0.00 H ATOM 128 HA TYR A 8 2.219 1.094 2.341 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.587 1.948 2.376 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.416 2.360 0.672 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.278 3.138 4.104 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.086 4.262 -0.039 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.257 5.308 4.739 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.069 6.432 0.598 1.00 0.00 H ATOM 135 HH TYR A 8 1.289 7.683 2.261 1.00 0.00 H ATOM 136 N ASP A 9 2.449 1.081 -0.942 1.00 0.00 N ATOM 137 CA ASP A 9 1.640 1.285 -2.175 1.00 0.00 C ATOM 138 C ASP A 9 0.567 0.201 -2.267 1.00 0.00 C ATOM 139 O ASP A 9 -0.592 0.471 -2.510 1.00 0.00 O ATOM 140 CB ASP A 9 2.627 1.158 -3.329 1.00 0.00 C ATOM 141 CG ASP A 9 2.840 2.529 -3.974 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.903 3.504 -3.244 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.938 2.580 -5.189 1.00 0.00 O ATOM 144 H ASP A 9 3.346 0.694 -1.003 1.00 0.00 H ATOM 145 HA ASP A 9 1.198 2.260 -2.176 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.568 0.785 -2.954 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.232 0.474 -4.064 1.00 0.00 H ATOM 148 N LYS A 10 0.956 -1.026 -2.073 1.00 0.00 N ATOM 149 CA LYS A 10 -0.023 -2.147 -2.143 1.00 0.00 C ATOM 150 C LYS A 10 -1.144 -1.956 -1.113 1.00 0.00 C ATOM 151 O LYS A 10 -2.312 -1.952 -1.448 1.00 0.00 O ATOM 152 CB LYS A 10 0.788 -3.395 -1.812 1.00 0.00 C ATOM 153 CG LYS A 10 0.788 -4.342 -3.013 1.00 0.00 C ATOM 154 CD LYS A 10 1.930 -3.965 -3.958 1.00 0.00 C ATOM 155 CE LYS A 10 1.475 -4.142 -5.410 1.00 0.00 C ATOM 156 NZ LYS A 10 2.511 -3.452 -6.232 1.00 0.00 N ATOM 157 H LYS A 10 1.901 -1.212 -1.883 1.00 0.00 H ATOM 158 HA LYS A 10 -0.427 -2.231 -3.132 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.802 -3.109 -1.578 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.347 -3.892 -0.963 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.925 -5.357 -2.667 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.153 -4.263 -3.535 1.00 0.00 H ATOM 163 HD2 LYS A 10 2.210 -2.935 -3.790 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.778 -4.604 -3.770 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.431 -5.192 -5.662 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.513 -3.676 -5.562 1.00 0.00 H ATOM 167 HZ1 LYS A 10 2.049 -2.787 -6.885 1.00 0.00 H ATOM 168 HZ2 LYS A 10 3.046 -4.158 -6.778 1.00 0.00 H ATOM 169 HZ3 LYS A 10 3.161 -2.927 -5.613 1.00 0.00 H ATOM 170 N VAL A 11 -0.796 -1.816 0.141 1.00 0.00 N ATOM 171 CA VAL A 11 -1.839 -1.646 1.195 1.00 0.00 C ATOM 172 C VAL A 11 -2.760 -0.467 0.867 1.00 0.00 C ATOM 173 O VAL A 11 -3.970 -0.587 0.905 1.00 0.00 O ATOM 174 CB VAL A 11 -1.056 -1.390 2.486 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.294 -2.659 2.873 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.057 -0.248 2.273 1.00 0.00 C ATOM 177 H VAL A 11 0.148 -1.834 0.391 1.00 0.00 H ATOM 178 HA VAL A 11 -2.416 -2.552 1.294 1.00 0.00 H ATOM 179 HB VAL A 11 -1.744 -1.127 3.277 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.697 -2.631 2.444 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.823 -3.523 2.500 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.219 -2.720 3.948 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.848 -0.454 2.826 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.489 0.678 2.623 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.177 -0.163 1.224 1.00 0.00 H ATOM 186 N ALA A 12 -2.206 0.668 0.545 1.00 0.00 N ATOM 187 CA ALA A 12 -3.061 1.840 0.217 1.00 0.00 C ATOM 188 C ALA A 12 -3.934 1.527 -0.989 1.00 0.00 C ATOM 189 O ALA A 12 -4.977 2.116 -1.178 1.00 0.00 O ATOM 190 CB ALA A 12 -2.092 2.970 -0.090 1.00 0.00 C ATOM 191 H ALA A 12 -1.235 0.750 0.516 1.00 0.00 H ATOM 192 HA ALA A 12 -3.674 2.103 1.055 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.069 3.142 -1.156 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.106 2.698 0.255 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.419 3.866 0.415 1.00 0.00 H ATOM 196 N GLU A 13 -3.529 0.593 -1.798 1.00 0.00 N ATOM 197 CA GLU A 13 -4.360 0.237 -2.972 1.00 0.00 C ATOM 198 C GLU A 13 -5.574 -0.546 -2.483 1.00 0.00 C ATOM 199 O GLU A 13 -6.656 -0.464 -3.038 1.00 0.00 O ATOM 200 CB GLU A 13 -3.468 -0.628 -3.861 1.00 0.00 C ATOM 201 CG GLU A 13 -3.976 -0.575 -5.304 1.00 0.00 C ATOM 202 CD GLU A 13 -3.257 0.547 -6.057 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.064 0.415 -6.276 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.912 1.517 -6.402 1.00 0.00 O ATOM 205 H GLU A 13 -2.692 0.121 -1.627 1.00 0.00 H ATOM 206 HA GLU A 13 -4.663 1.122 -3.492 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.455 -0.253 -3.822 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.491 -1.647 -3.511 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.779 -1.519 -5.791 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.038 -0.383 -5.306 1.00 0.00 H ATOM 211 N LYS A 14 -5.410 -1.276 -1.414 1.00 0.00 N ATOM 212 CA LYS A 14 -6.538 -2.031 -0.856 1.00 0.00 C ATOM 213 C LYS A 14 -7.408 -1.061 -0.086 1.00 0.00 C ATOM 214 O LYS A 14 -8.584 -1.247 0.031 1.00 0.00 O ATOM 215 CB LYS A 14 -5.921 -3.068 0.075 1.00 0.00 C ATOM 216 CG LYS A 14 -5.499 -4.293 -0.734 1.00 0.00 C ATOM 217 CD LYS A 14 -4.115 -4.754 -0.273 1.00 0.00 C ATOM 218 CE LYS A 14 -3.973 -6.260 -0.499 1.00 0.00 C ATOM 219 NZ LYS A 14 -2.964 -6.707 0.501 1.00 0.00 N ATOM 220 H LYS A 14 -4.555 -1.302 -0.961 1.00 0.00 H ATOM 221 HA LYS A 14 -7.093 -2.511 -1.636 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.059 -2.643 0.564 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.649 -3.362 0.815 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.215 -5.089 -0.582 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.461 -4.038 -1.783 1.00 0.00 H ATOM 226 HD2 LYS A 14 -3.356 -4.231 -0.837 1.00 0.00 H ATOM 227 HD3 LYS A 14 -3.996 -4.536 0.777 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.920 -6.755 -0.328 1.00 0.00 H ATOM 229 HE3 LYS A 14 -3.617 -6.459 -1.497 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -2.469 -7.547 0.142 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -3.443 -6.941 1.395 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -2.277 -5.944 0.664 1.00 0.00 H ATOM 233 N PHE A 15 -6.834 -0.004 0.417 1.00 0.00 N ATOM 234 CA PHE A 15 -7.657 0.985 1.155 1.00 0.00 C ATOM 235 C PHE A 15 -8.417 1.834 0.146 1.00 0.00 C ATOM 236 O PHE A 15 -9.477 2.357 0.423 1.00 0.00 O ATOM 237 CB PHE A 15 -6.673 1.831 1.962 1.00 0.00 C ATOM 238 CG PHE A 15 -6.591 1.302 3.375 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.643 1.528 4.272 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.462 0.586 3.789 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.566 1.037 5.581 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.384 0.095 5.098 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.436 0.320 5.993 1.00 0.00 C ATOM 244 H PHE A 15 -5.875 0.145 0.293 1.00 0.00 H ATOM 245 HA PHE A 15 -8.337 0.483 1.805 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.699 1.785 1.504 1.00 0.00 H ATOM 247 HB3 PHE A 15 -7.016 2.854 1.983 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.515 2.081 3.954 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.649 0.412 3.099 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.377 1.211 6.272 1.00 0.00 H ATOM 251 HE2 PHE A 15 -4.513 -0.458 5.417 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.377 -0.059 7.003 1.00 0.00 H ATOM 253 N LYS A 16 -7.883 1.955 -1.036 1.00 0.00 N ATOM 254 CA LYS A 16 -8.570 2.747 -2.085 1.00 0.00 C ATOM 255 C LYS A 16 -9.756 1.951 -2.632 1.00 0.00 C ATOM 256 O LYS A 16 -10.754 2.506 -3.046 1.00 0.00 O ATOM 257 CB LYS A 16 -7.521 2.967 -3.171 1.00 0.00 C ATOM 258 CG LYS A 16 -6.983 4.395 -3.079 1.00 0.00 C ATOM 259 CD LYS A 16 -5.755 4.539 -3.981 1.00 0.00 C ATOM 260 CE LYS A 16 -4.572 5.056 -3.156 1.00 0.00 C ATOM 261 NZ LYS A 16 -3.389 4.291 -3.646 1.00 0.00 N ATOM 262 H LYS A 16 -7.036 1.512 -1.235 1.00 0.00 H ATOM 263 HA LYS A 16 -8.894 3.688 -1.692 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.713 2.266 -3.036 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.973 2.817 -4.139 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.748 5.089 -3.397 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.705 4.609 -2.058 1.00 0.00 H ATOM 268 HD2 LYS A 16 -5.507 3.578 -4.406 1.00 0.00 H ATOM 269 HD3 LYS A 16 -5.972 5.239 -4.774 1.00 0.00 H ATOM 270 HE2 LYS A 16 -4.433 6.116 -3.324 1.00 0.00 H ATOM 271 HE3 LYS A 16 -4.731 4.858 -2.107 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -2.601 4.946 -3.818 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -3.631 3.799 -4.531 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -3.105 3.593 -2.928 1.00 0.00 H ATOM 275 N GLU A 17 -9.652 0.647 -2.632 1.00 0.00 N ATOM 276 CA GLU A 17 -10.772 -0.187 -3.148 1.00 0.00 C ATOM 277 C GLU A 17 -11.596 -0.747 -1.986 1.00 0.00 C ATOM 278 O GLU A 17 -12.781 -0.988 -2.102 1.00 0.00 O ATOM 279 CB GLU A 17 -10.102 -1.315 -3.929 1.00 0.00 C ATOM 280 CG GLU A 17 -10.687 -1.373 -5.342 1.00 0.00 C ATOM 281 CD GLU A 17 -9.871 -2.346 -6.196 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.669 -2.408 -6.003 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.464 -3.012 -7.030 1.00 0.00 O ATOM 284 H GLU A 17 -8.841 0.220 -2.288 1.00 0.00 H ATOM 285 HA GLU A 17 -11.387 0.390 -3.801 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.042 -1.128 -3.983 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.282 -2.252 -3.428 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.712 -1.708 -5.293 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.650 -0.389 -5.787 1.00 0.00 H ATOM 290 N ALA A 18 -10.968 -0.950 -0.867 1.00 0.00 N ATOM 291 CA ALA A 18 -11.680 -1.488 0.320 1.00 0.00 C ATOM 292 C ALA A 18 -12.395 -0.349 1.047 1.00 0.00 C ATOM 293 O ALA A 18 -13.312 -0.562 1.816 1.00 0.00 O ATOM 294 CB ALA A 18 -10.573 -2.084 1.191 1.00 0.00 C ATOM 295 H ALA A 18 -10.024 -0.742 -0.807 1.00 0.00 H ATOM 296 HA ALA A 18 -12.374 -2.252 0.025 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.968 -1.285 1.599 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.950 -2.728 0.584 1.00 0.00 H ATOM 299 HB3 ALA A 18 -11.006 -2.654 1.995 1.00 0.00 H ATOM 300 N PHE A 19 -11.979 0.862 0.799 1.00 0.00 N ATOM 301 CA PHE A 19 -12.623 2.028 1.454 1.00 0.00 C ATOM 302 C PHE A 19 -12.984 3.089 0.408 1.00 0.00 C ATOM 303 O PHE A 19 -13.073 4.261 0.714 1.00 0.00 O ATOM 304 CB PHE A 19 -11.582 2.570 2.430 1.00 0.00 C ATOM 305 CG PHE A 19 -11.980 2.218 3.842 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.214 2.644 4.348 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.116 1.467 4.647 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.584 2.318 5.657 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.486 1.141 5.957 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.720 1.566 6.463 1.00 0.00 C ATOM 311 H PHE A 19 -11.246 1.003 0.174 1.00 0.00 H ATOM 312 HA PHE A 19 -13.494 1.715 1.987 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.621 2.134 2.207 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.525 3.642 2.331 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.880 3.224 3.726 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.163 1.140 4.258 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.537 2.646 6.047 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.819 0.562 6.578 1.00 0.00 H ATOM 319 HZ PHE A 19 -13.006 1.313 7.472 1.00 0.00 H HETATM 320 N NH2 A 20 -13.193 2.721 -0.828 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.420 3.391 -1.506 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.121 1.777 -1.075 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 29 HETATM 1 C ACE A 1 12.528 -0.948 -0.576 1.00 0.00 C HETATM 2 O ACE A 1 11.530 -0.334 -0.245 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.650 -1.225 0.414 1.00 0.00 C HETATM 4 H1 ACE A 1 14.556 -0.751 0.073 1.00 0.00 H HETATM 5 H2 ACE A 1 13.803 -2.294 0.484 1.00 0.00 H HETATM 6 H3 ACE A 1 13.376 -0.838 1.382 1.00 0.00 H ATOM 7 N ASP A 2 12.655 -1.437 -1.775 1.00 0.00 N ATOM 8 CA ASP A 2 11.573 -1.244 -2.749 1.00 0.00 C ATOM 9 C ASP A 2 10.416 -2.068 -2.238 1.00 0.00 C ATOM 10 O ASP A 2 9.272 -1.717 -2.386 1.00 0.00 O ATOM 11 CB ASP A 2 12.103 -1.793 -4.072 1.00 0.00 C ATOM 12 CG ASP A 2 12.838 -0.685 -4.829 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.525 0.471 -4.598 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.703 -1.012 -5.626 1.00 0.00 O ATOM 15 H ASP A 2 13.431 -1.964 -2.013 1.00 0.00 H ATOM 16 HA ASP A 2 11.312 -0.208 -2.839 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.783 -2.608 -3.874 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.277 -2.147 -4.668 1.00 0.00 H ATOM 19 N TRP A 3 10.744 -3.158 -1.593 1.00 0.00 N ATOM 20 CA TRP A 3 9.710 -4.041 -1.010 1.00 0.00 C ATOM 21 C TRP A 3 8.979 -3.294 0.117 1.00 0.00 C ATOM 22 O TRP A 3 7.901 -3.665 0.529 1.00 0.00 O ATOM 23 CB TRP A 3 10.485 -5.252 -0.458 1.00 0.00 C ATOM 24 CG TRP A 3 11.067 -4.878 0.863 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.683 -3.710 1.106 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.095 -5.624 2.113 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.038 -3.652 2.424 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.723 -4.820 3.093 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.638 -6.898 2.493 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.893 -5.262 4.405 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.810 -7.350 3.812 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.436 -6.533 4.766 1.00 0.00 C ATOM 33 H TRP A 3 11.687 -3.384 -1.478 1.00 0.00 H ATOM 34 HA TRP A 3 9.028 -4.354 -1.766 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.812 -6.089 -0.335 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.277 -5.520 -1.141 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.836 -2.927 0.390 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.467 -2.892 2.844 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.154 -7.535 1.766 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.376 -4.629 5.134 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.458 -8.332 4.095 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.566 -6.886 5.779 1.00 0.00 H ATOM 43 N PHE A 4 9.572 -2.235 0.612 1.00 0.00 N ATOM 44 CA PHE A 4 8.943 -1.448 1.700 1.00 0.00 C ATOM 45 C PHE A 4 7.967 -0.485 1.062 1.00 0.00 C ATOM 46 O PHE A 4 6.769 -0.574 1.242 1.00 0.00 O ATOM 47 CB PHE A 4 10.095 -0.698 2.364 1.00 0.00 C ATOM 48 CG PHE A 4 9.586 0.058 3.570 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.655 1.093 3.412 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.045 -0.280 4.848 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.185 1.789 4.532 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.576 0.417 5.969 1.00 0.00 C ATOM 53 CZ PHE A 4 8.645 1.451 5.810 1.00 0.00 C ATOM 54 H PHE A 4 10.429 -1.949 0.253 1.00 0.00 H ATOM 55 HA PHE A 4 8.454 -2.094 2.403 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.849 -1.405 2.676 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.523 -0.002 1.659 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.301 1.357 2.427 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.764 -1.077 4.971 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.467 2.587 4.409 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.932 0.156 6.954 1.00 0.00 H ATOM 62 HZ PHE A 4 8.280 1.986 6.674 1.00 0.00 H ATOM 63 N LYS A 5 8.475 0.397 0.256 1.00 0.00 N ATOM 64 CA LYS A 5 7.578 1.320 -0.462 1.00 0.00 C ATOM 65 C LYS A 5 6.638 0.456 -1.296 1.00 0.00 C ATOM 66 O LYS A 5 5.581 0.882 -1.721 1.00 0.00 O ATOM 67 CB LYS A 5 8.501 2.155 -1.348 1.00 0.00 C ATOM 68 CG LYS A 5 7.848 3.501 -1.669 1.00 0.00 C ATOM 69 CD LYS A 5 8.735 4.271 -2.651 1.00 0.00 C ATOM 70 CE LYS A 5 9.049 5.657 -2.082 1.00 0.00 C ATOM 71 NZ LYS A 5 10.534 5.706 -1.973 1.00 0.00 N ATOM 72 H LYS A 5 9.441 0.413 0.087 1.00 0.00 H ATOM 73 HA LYS A 5 7.034 1.944 0.222 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.432 2.324 -0.830 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.692 1.623 -2.267 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.877 3.335 -2.112 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.738 4.075 -0.761 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.656 3.726 -2.806 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.218 4.379 -3.593 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.694 6.425 -2.754 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.603 5.772 -1.107 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.859 4.964 -1.321 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.822 6.638 -1.611 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.957 5.552 -2.909 1.00 0.00 H ATOM 85 N ALA A 6 7.024 -0.783 -1.512 1.00 0.00 N ATOM 86 CA ALA A 6 6.173 -1.709 -2.300 1.00 0.00 C ATOM 87 C ALA A 6 5.023 -2.232 -1.436 1.00 0.00 C ATOM 88 O ALA A 6 3.974 -2.591 -1.935 1.00 0.00 O ATOM 89 CB ALA A 6 7.107 -2.845 -2.694 1.00 0.00 C ATOM 90 H ALA A 6 7.880 -1.107 -1.141 1.00 0.00 H ATOM 91 HA ALA A 6 5.804 -1.224 -3.178 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.530 -3.713 -2.965 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.749 -3.078 -1.860 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.711 -2.534 -3.535 1.00 0.00 H ATOM 95 N PHE A 7 5.213 -2.276 -0.145 1.00 0.00 N ATOM 96 CA PHE A 7 4.137 -2.772 0.748 1.00 0.00 C ATOM 97 C PHE A 7 3.139 -1.656 1.034 1.00 0.00 C ATOM 98 O PHE A 7 1.948 -1.811 0.854 1.00 0.00 O ATOM 99 CB PHE A 7 4.838 -3.191 2.044 1.00 0.00 C ATOM 100 CG PHE A 7 5.589 -4.494 1.855 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.097 -5.479 0.987 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.780 -4.718 2.561 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.795 -6.681 0.825 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.476 -5.922 2.398 1.00 0.00 C ATOM 105 CZ PHE A 7 6.984 -6.903 1.530 1.00 0.00 C ATOM 106 H PHE A 7 6.061 -1.982 0.237 1.00 0.00 H ATOM 107 HA PHE A 7 3.645 -3.607 0.307 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.533 -2.419 2.336 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.098 -3.316 2.821 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.184 -5.314 0.443 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.164 -3.962 3.230 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.415 -7.438 0.155 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.391 -6.094 2.942 1.00 0.00 H ATOM 114 HZ PHE A 7 7.520 -7.832 1.404 1.00 0.00 H ATOM 115 N TYR A 8 3.616 -0.533 1.488 1.00 0.00 N ATOM 116 CA TYR A 8 2.694 0.590 1.799 1.00 0.00 C ATOM 117 C TYR A 8 1.977 1.057 0.532 1.00 0.00 C ATOM 118 O TYR A 8 0.905 1.627 0.591 1.00 0.00 O ATOM 119 CB TYR A 8 3.586 1.697 2.358 1.00 0.00 C ATOM 120 CG TYR A 8 2.748 2.752 3.059 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.381 2.538 3.305 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.349 3.948 3.471 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.624 3.517 3.959 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.589 4.927 4.123 1.00 0.00 C ATOM 125 CZ TYR A 8 1.228 4.711 4.367 1.00 0.00 C ATOM 126 OH TYR A 8 0.481 5.676 5.012 1.00 0.00 O ATOM 127 H TYR A 8 4.580 -0.433 1.632 1.00 0.00 H ATOM 128 HA TYR A 8 1.986 0.284 2.542 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.282 1.269 3.063 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.133 2.155 1.548 1.00 0.00 H ATOM 131 HD1 TYR A 8 0.910 1.619 2.990 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.399 4.116 3.283 1.00 0.00 H ATOM 133 HE1 TYR A 8 -0.425 3.353 4.148 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.054 5.848 4.439 1.00 0.00 H ATOM 135 HH TYR A 8 -0.259 5.241 5.441 1.00 0.00 H ATOM 136 N ASP A 9 2.557 0.824 -0.616 1.00 0.00 N ATOM 137 CA ASP A 9 1.896 1.263 -1.876 1.00 0.00 C ATOM 138 C ASP A 9 0.727 0.332 -2.216 1.00 0.00 C ATOM 139 O ASP A 9 -0.410 0.754 -2.314 1.00 0.00 O ATOM 140 CB ASP A 9 2.981 1.183 -2.949 1.00 0.00 C ATOM 141 CG ASP A 9 2.478 1.845 -4.234 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.623 2.710 -4.136 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.958 1.478 -5.295 1.00 0.00 O ATOM 144 H ASP A 9 3.423 0.365 -0.649 1.00 0.00 H ATOM 145 HA ASP A 9 1.554 2.276 -1.779 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.867 1.696 -2.604 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.215 0.149 -3.148 1.00 0.00 H ATOM 148 N LYS A 10 0.999 -0.930 -2.397 1.00 0.00 N ATOM 149 CA LYS A 10 -0.093 -1.887 -2.732 1.00 0.00 C ATOM 150 C LYS A 10 -1.186 -1.859 -1.659 1.00 0.00 C ATOM 151 O LYS A 10 -2.357 -1.722 -1.962 1.00 0.00 O ATOM 152 CB LYS A 10 0.581 -3.254 -2.788 1.00 0.00 C ATOM 153 CG LYS A 10 0.777 -3.671 -4.248 1.00 0.00 C ATOM 154 CD LYS A 10 1.372 -2.507 -5.050 1.00 0.00 C ATOM 155 CE LYS A 10 1.695 -2.979 -6.470 1.00 0.00 C ATOM 156 NZ LYS A 10 1.569 -1.761 -7.319 1.00 0.00 N ATOM 157 H LYS A 10 1.920 -1.250 -2.314 1.00 0.00 H ATOM 158 HA LYS A 10 -0.511 -1.652 -3.691 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.538 -3.201 -2.294 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.043 -3.979 -2.290 1.00 0.00 H ATOM 161 HG2 LYS A 10 1.448 -4.516 -4.292 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.176 -3.948 -4.673 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.659 -1.697 -5.096 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.278 -2.166 -4.573 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.702 -3.369 -6.515 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.986 -3.727 -6.789 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.802 -0.919 -6.756 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.592 -1.684 -7.671 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.223 -1.827 -8.124 1.00 0.00 H ATOM 170 N VAL A 11 -0.829 -1.982 -0.408 1.00 0.00 N ATOM 171 CA VAL A 11 -1.878 -1.952 0.646 1.00 0.00 C ATOM 172 C VAL A 11 -2.751 -0.713 0.444 1.00 0.00 C ATOM 173 O VAL A 11 -3.964 -0.786 0.479 1.00 0.00 O ATOM 174 CB VAL A 11 -1.127 -1.896 1.978 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.387 -3.217 2.202 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.114 -0.751 1.956 1.00 0.00 C ATOM 177 H VAL A 11 0.117 -2.086 -0.167 1.00 0.00 H ATOM 178 HA VAL A 11 -2.479 -2.846 0.598 1.00 0.00 H ATOM 179 HB VAL A 11 -1.833 -1.740 2.782 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.041 -3.917 2.700 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.485 -3.042 2.813 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.082 -3.626 1.249 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.237 -0.598 0.947 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.719 -1.006 2.592 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.582 0.152 2.317 1.00 0.00 H ATOM 186 N ALA A 12 -2.148 0.421 0.199 1.00 0.00 N ATOM 187 CA ALA A 12 -2.954 1.651 -0.037 1.00 0.00 C ATOM 188 C ALA A 12 -3.932 1.395 -1.171 1.00 0.00 C ATOM 189 O ALA A 12 -4.996 1.968 -1.221 1.00 0.00 O ATOM 190 CB ALA A 12 -1.952 2.729 -0.417 1.00 0.00 C ATOM 191 H ALA A 12 -1.170 0.459 0.154 1.00 0.00 H ATOM 192 HA ALA A 12 -3.484 1.937 0.849 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.306 3.254 -1.291 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.997 2.272 -0.629 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.847 3.423 0.403 1.00 0.00 H ATOM 196 N GLU A 13 -3.590 0.521 -2.075 1.00 0.00 N ATOM 197 CA GLU A 13 -4.524 0.214 -3.182 1.00 0.00 C ATOM 198 C GLU A 13 -5.707 -0.560 -2.608 1.00 0.00 C ATOM 199 O GLU A 13 -6.813 -0.511 -3.114 1.00 0.00 O ATOM 200 CB GLU A 13 -3.725 -0.638 -4.163 1.00 0.00 C ATOM 201 CG GLU A 13 -4.207 -0.371 -5.590 1.00 0.00 C ATOM 202 CD GLU A 13 -2.997 -0.193 -6.510 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.943 -0.705 -6.174 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.146 0.452 -7.535 1.00 0.00 O ATOM 205 H GLU A 13 -2.731 0.058 -2.014 1.00 0.00 H ATOM 206 HA GLU A 13 -4.854 1.117 -3.651 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.678 -0.382 -4.085 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.860 -1.680 -3.928 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.801 -1.206 -5.932 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.806 0.528 -5.607 1.00 0.00 H ATOM 211 N LYS A 14 -5.484 -1.240 -1.516 1.00 0.00 N ATOM 212 CA LYS A 14 -6.573 -1.981 -0.863 1.00 0.00 C ATOM 213 C LYS A 14 -7.411 -0.974 -0.106 1.00 0.00 C ATOM 214 O LYS A 14 -8.605 -1.108 0.013 1.00 0.00 O ATOM 215 CB LYS A 14 -5.880 -2.943 0.098 1.00 0.00 C ATOM 216 CG LYS A 14 -6.397 -4.366 -0.118 1.00 0.00 C ATOM 217 CD LYS A 14 -5.720 -5.311 0.881 1.00 0.00 C ATOM 218 CE LYS A 14 -6.281 -5.062 2.283 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.712 -5.464 2.200 1.00 0.00 N ATOM 220 H LYS A 14 -4.604 -1.234 -1.107 1.00 0.00 H ATOM 221 HA LYS A 14 -7.157 -2.514 -1.581 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.816 -2.917 -0.080 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.084 -2.639 1.113 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.467 -4.387 0.033 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.168 -4.684 -1.124 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.909 -6.335 0.593 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.656 -5.128 0.884 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.759 -5.669 3.010 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.206 -4.016 2.540 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.793 -6.350 1.663 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -8.255 -4.716 1.722 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -8.089 -5.608 3.159 1.00 0.00 H ATOM 233 N PHE A 15 -6.776 0.059 0.378 1.00 0.00 N ATOM 234 CA PHE A 15 -7.513 1.114 1.111 1.00 0.00 C ATOM 235 C PHE A 15 -8.370 1.883 0.118 1.00 0.00 C ATOM 236 O PHE A 15 -9.442 2.362 0.431 1.00 0.00 O ATOM 237 CB PHE A 15 -6.434 2.011 1.710 1.00 0.00 C ATOM 238 CG PHE A 15 -6.706 2.229 3.180 1.00 0.00 C ATOM 239 CD1 PHE A 15 -8.019 2.195 3.666 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.641 2.468 4.059 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.265 2.399 5.029 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.889 2.671 5.421 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.201 2.636 5.907 1.00 0.00 C ATOM 244 H PHE A 15 -5.812 0.147 0.235 1.00 0.00 H ATOM 245 HA PHE A 15 -8.110 0.686 1.881 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.472 1.537 1.591 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.435 2.962 1.200 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.841 2.012 2.990 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.628 2.493 3.684 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.277 2.372 5.404 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.067 2.854 6.098 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.392 2.792 6.958 1.00 0.00 H ATOM 253 N LYS A 16 -7.902 1.977 -1.091 1.00 0.00 N ATOM 254 CA LYS A 16 -8.675 2.687 -2.137 1.00 0.00 C ATOM 255 C LYS A 16 -9.867 1.827 -2.541 1.00 0.00 C ATOM 256 O LYS A 16 -10.916 2.321 -2.904 1.00 0.00 O ATOM 257 CB LYS A 16 -7.711 2.847 -3.305 1.00 0.00 C ATOM 258 CG LYS A 16 -8.043 4.129 -4.066 1.00 0.00 C ATOM 259 CD LYS A 16 -7.274 4.143 -5.386 1.00 0.00 C ATOM 260 CE LYS A 16 -7.857 3.084 -6.325 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.682 2.295 -6.786 1.00 0.00 N ATOM 262 H LYS A 16 -7.043 1.563 -1.311 1.00 0.00 H ATOM 263 HA LYS A 16 -8.996 3.645 -1.782 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.700 2.901 -2.929 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.809 2.003 -3.968 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.105 4.165 -4.265 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.755 4.985 -3.475 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.359 5.117 -5.843 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.235 3.920 -5.199 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.553 2.450 -5.790 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.342 3.551 -7.167 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.832 2.893 -6.760 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.846 1.965 -7.760 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.545 1.476 -6.159 1.00 0.00 H ATOM 275 N GLU A 17 -9.711 0.537 -2.458 1.00 0.00 N ATOM 276 CA GLU A 17 -10.825 -0.375 -2.810 1.00 0.00 C ATOM 277 C GLU A 17 -11.503 -0.858 -1.528 1.00 0.00 C ATOM 278 O GLU A 17 -12.533 -1.500 -1.554 1.00 0.00 O ATOM 279 CB GLU A 17 -10.174 -1.539 -3.551 1.00 0.00 C ATOM 280 CG GLU A 17 -10.258 -1.297 -5.061 1.00 0.00 C ATOM 281 CD GLU A 17 -8.845 -1.234 -5.646 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.223 -2.278 -5.756 1.00 0.00 O ATOM 283 OE2 GLU A 17 -8.409 -0.142 -5.974 1.00 0.00 O ATOM 284 H GLU A 17 -8.860 0.168 -2.146 1.00 0.00 H ATOM 285 HA GLU A 17 -11.524 0.123 -3.446 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.139 -1.616 -3.255 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.692 -2.452 -3.306 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.804 -2.106 -5.524 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.765 -0.363 -5.249 1.00 0.00 H ATOM 290 N ALA A 18 -10.917 -0.548 -0.405 1.00 0.00 N ATOM 291 CA ALA A 18 -11.492 -0.972 0.892 1.00 0.00 C ATOM 292 C ALA A 18 -12.560 0.029 1.342 1.00 0.00 C ATOM 293 O ALA A 18 -13.474 -0.310 2.067 1.00 0.00 O ATOM 294 CB ALA A 18 -10.300 -0.970 1.850 1.00 0.00 C ATOM 295 H ALA A 18 -10.090 -0.035 -0.413 1.00 0.00 H ATOM 296 HA ALA A 18 -11.902 -1.960 0.815 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.722 -0.073 1.692 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.678 -1.834 1.652 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.647 -1.001 2.868 1.00 0.00 H ATOM 300 N PHE A 19 -12.456 1.260 0.913 1.00 0.00 N ATOM 301 CA PHE A 19 -13.477 2.271 1.320 1.00 0.00 C ATOM 302 C PHE A 19 -14.885 1.704 1.117 1.00 0.00 C ATOM 303 O PHE A 19 -15.432 1.063 1.991 1.00 0.00 O ATOM 304 CB PHE A 19 -13.252 3.472 0.401 1.00 0.00 C ATOM 305 CG PHE A 19 -11.981 4.203 0.781 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.540 4.226 2.113 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.245 4.867 -0.208 1.00 0.00 C ATOM 308 CE1 PHE A 19 -10.366 4.911 2.450 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.073 5.553 0.131 1.00 0.00 C ATOM 310 CZ PHE A 19 -9.633 5.574 1.459 1.00 0.00 C ATOM 311 H PHE A 19 -11.713 1.517 0.324 1.00 0.00 H ATOM 312 HA PHE A 19 -13.337 2.557 2.345 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.175 3.130 -0.619 1.00 0.00 H ATOM 314 HB3 PHE A 19 -14.090 4.147 0.490 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.101 3.718 2.881 1.00 0.00 H ATOM 316 HD2 PHE A 19 -11.583 4.851 -1.233 1.00 0.00 H ATOM 317 HE1 PHE A 19 -10.027 4.927 3.475 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.508 6.066 -0.633 1.00 0.00 H ATOM 319 HZ PHE A 19 -8.728 6.104 1.721 1.00 0.00 H HETATM 320 N NH2 A 20 -15.501 1.918 -0.014 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -16.402 1.562 -0.156 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -15.060 2.435 -0.722 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 30 HETATM 1 C ACE A 1 12.247 -0.489 -0.850 1.00 0.00 C HETATM 2 O ACE A 1 11.205 0.079 -0.581 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.403 -0.533 0.137 1.00 0.00 C HETATM 4 H1 ACE A 1 13.836 0.448 0.229 1.00 0.00 H HETATM 5 H2 ACE A 1 14.149 -1.228 -0.219 1.00 0.00 H HETATM 6 H3 ACE A 1 13.037 -0.864 1.099 1.00 0.00 H ATOM 7 N ASP A 2 12.400 -1.127 -1.971 1.00 0.00 N ATOM 8 CA ASP A 2 11.293 -1.163 -2.938 1.00 0.00 C ATOM 9 C ASP A 2 10.225 -2.006 -2.287 1.00 0.00 C ATOM 10 O ASP A 2 9.047 -1.765 -2.419 1.00 0.00 O ATOM 11 CB ASP A 2 11.853 -1.833 -4.190 1.00 0.00 C ATOM 12 CG ASP A 2 10.925 -1.558 -5.375 1.00 0.00 C ATOM 13 OD1 ASP A 2 9.753 -1.318 -5.141 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.403 -1.595 -6.497 1.00 0.00 O ATOM 15 H ASP A 2 13.215 -1.615 -2.150 1.00 0.00 H ATOM 16 HA ASP A 2 10.937 -0.173 -3.155 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.834 -1.433 -4.400 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.922 -2.896 -4.027 1.00 0.00 H ATOM 19 N TRP A 3 10.668 -2.975 -1.530 1.00 0.00 N ATOM 20 CA TRP A 3 9.738 -3.847 -0.791 1.00 0.00 C ATOM 21 C TRP A 3 8.985 -2.989 0.243 1.00 0.00 C ATOM 22 O TRP A 3 7.953 -3.370 0.751 1.00 0.00 O ATOM 23 CB TRP A 3 10.644 -4.877 -0.084 1.00 0.00 C ATOM 24 CG TRP A 3 11.108 -4.262 1.191 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.706 -3.063 1.264 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.993 -4.752 2.556 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.908 -2.743 2.577 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.519 -3.766 3.422 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.486 -5.934 3.126 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.539 -3.943 4.807 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.511 -6.119 4.518 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.037 -5.125 5.357 1.00 0.00 C ATOM 33 H TRP A 3 11.632 -3.104 -1.425 1.00 0.00 H ATOM 34 HA TRP A 3 9.068 -4.335 -1.459 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.084 -5.777 0.123 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.493 -5.107 -0.708 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.938 -2.429 0.423 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.292 -1.909 2.885 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.078 -6.706 2.489 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.946 -3.173 5.448 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.123 -7.032 4.946 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.052 -5.274 6.426 1.00 0.00 H ATOM 43 N PHE A 4 9.535 -1.834 0.559 1.00 0.00 N ATOM 44 CA PHE A 4 8.914 -0.931 1.560 1.00 0.00 C ATOM 45 C PHE A 4 7.791 -0.179 0.885 1.00 0.00 C ATOM 46 O PHE A 4 6.638 -0.304 1.238 1.00 0.00 O ATOM 47 CB PHE A 4 10.035 0.018 1.980 1.00 0.00 C ATOM 48 CG PHE A 4 9.684 0.685 3.290 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.928 1.864 3.297 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.120 0.127 4.497 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.609 2.484 4.513 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.800 0.745 5.712 1.00 0.00 C ATOM 53 CZ PHE A 4 9.045 1.925 5.720 1.00 0.00 C ATOM 54 H PHE A 4 10.367 -1.563 0.132 1.00 0.00 H ATOM 55 HA PHE A 4 8.562 -1.484 2.405 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.950 -0.544 2.098 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.172 0.771 1.219 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.591 2.296 2.367 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.703 -0.783 4.493 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.027 3.393 4.519 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.136 0.314 6.643 1.00 0.00 H ATOM 62 HZ PHE A 4 8.799 2.402 6.656 1.00 0.00 H ATOM 63 N LYS A 5 8.113 0.559 -0.130 1.00 0.00 N ATOM 64 CA LYS A 5 7.052 1.263 -0.873 1.00 0.00 C ATOM 65 C LYS A 5 6.209 0.203 -1.578 1.00 0.00 C ATOM 66 O LYS A 5 5.135 0.467 -2.079 1.00 0.00 O ATOM 67 CB LYS A 5 7.782 2.140 -1.888 1.00 0.00 C ATOM 68 CG LYS A 5 8.432 1.252 -2.950 1.00 0.00 C ATOM 69 CD LYS A 5 9.592 2.004 -3.608 1.00 0.00 C ATOM 70 CE LYS A 5 9.038 3.127 -4.489 1.00 0.00 C ATOM 71 NZ LYS A 5 10.169 3.516 -5.378 1.00 0.00 N ATOM 72 H LYS A 5 9.045 0.609 -0.426 1.00 0.00 H ATOM 73 HA LYS A 5 6.453 1.862 -0.210 1.00 0.00 H ATOM 74 HB2 LYS A 5 7.077 2.810 -2.359 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.545 2.715 -1.385 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.805 0.351 -2.484 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.701 0.994 -3.700 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.228 2.424 -2.844 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.163 1.320 -4.218 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.203 2.767 -5.075 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.739 3.968 -3.883 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.618 4.379 -5.011 1.00 0.00 H ATOM 83 HZ2 LYS A 5 9.810 3.693 -6.339 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.871 2.750 -5.406 1.00 0.00 H ATOM 85 N ALA A 6 6.707 -1.011 -1.613 1.00 0.00 N ATOM 86 CA ALA A 6 5.963 -2.110 -2.281 1.00 0.00 C ATOM 87 C ALA A 6 4.837 -2.622 -1.380 1.00 0.00 C ATOM 88 O ALA A 6 3.760 -2.942 -1.841 1.00 0.00 O ATOM 89 CB ALA A 6 7.008 -3.192 -2.510 1.00 0.00 C ATOM 90 H ALA A 6 7.580 -1.200 -1.197 1.00 0.00 H ATOM 91 HA ALA A 6 5.576 -1.780 -3.221 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.671 -3.222 -1.664 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.575 -2.960 -3.402 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.524 -4.147 -2.627 1.00 0.00 H ATOM 95 N PHE A 7 5.075 -2.705 -0.097 1.00 0.00 N ATOM 96 CA PHE A 7 4.015 -3.197 0.823 1.00 0.00 C ATOM 97 C PHE A 7 3.095 -2.043 1.228 1.00 0.00 C ATOM 98 O PHE A 7 1.883 -2.158 1.198 1.00 0.00 O ATOM 99 CB PHE A 7 4.765 -3.784 2.035 1.00 0.00 C ATOM 100 CG PHE A 7 5.110 -2.696 3.033 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.116 -2.165 3.861 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.424 -2.222 3.129 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.430 -1.157 4.780 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.739 -1.215 4.049 1.00 0.00 C ATOM 105 CZ PHE A 7 5.742 -0.681 4.874 1.00 0.00 C ATOM 106 H PHE A 7 5.945 -2.445 0.256 1.00 0.00 H ATOM 107 HA PHE A 7 3.449 -3.965 0.337 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.139 -4.520 2.518 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.675 -4.258 1.697 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.106 -2.529 3.787 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.194 -2.635 2.499 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.660 -0.748 5.417 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.753 -0.848 4.120 1.00 0.00 H ATOM 114 HZ PHE A 7 5.985 0.097 5.581 1.00 0.00 H ATOM 115 N TYR A 8 3.658 -0.931 1.602 1.00 0.00 N ATOM 116 CA TYR A 8 2.825 0.229 2.006 1.00 0.00 C ATOM 117 C TYR A 8 1.982 0.698 0.820 1.00 0.00 C ATOM 118 O TYR A 8 0.911 1.249 0.984 1.00 0.00 O ATOM 119 CB TYR A 8 3.827 1.306 2.422 1.00 0.00 C ATOM 120 CG TYR A 8 3.093 2.581 2.754 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.804 2.526 3.293 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.704 3.821 2.524 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.123 3.709 3.603 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.023 5.004 2.833 1.00 0.00 C ATOM 125 CZ TYR A 8 1.732 4.948 3.373 1.00 0.00 C ATOM 126 OH TYR A 8 1.060 6.114 3.676 1.00 0.00 O ATOM 127 H TYR A 8 4.629 -0.860 1.618 1.00 0.00 H ATOM 128 HA TYR A 8 2.195 -0.033 2.838 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.374 0.969 3.291 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.517 1.488 1.611 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.335 1.570 3.472 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.700 3.864 2.108 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.128 3.665 4.018 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.494 5.960 2.655 1.00 0.00 H ATOM 135 HH TYR A 8 0.765 6.510 2.853 1.00 0.00 H ATOM 136 N ASP A 9 2.456 0.476 -0.375 1.00 0.00 N ATOM 137 CA ASP A 9 1.683 0.902 -1.568 1.00 0.00 C ATOM 138 C ASP A 9 0.570 -0.104 -1.852 1.00 0.00 C ATOM 139 O ASP A 9 -0.580 0.255 -2.012 1.00 0.00 O ATOM 140 CB ASP A 9 2.693 0.928 -2.712 1.00 0.00 C ATOM 141 CG ASP A 9 1.981 1.306 -4.011 1.00 0.00 C ATOM 142 OD1 ASP A 9 0.929 0.746 -4.271 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.499 2.151 -4.723 1.00 0.00 O ATOM 144 H ASP A 9 3.318 0.026 -0.488 1.00 0.00 H ATOM 145 HA ASP A 9 1.277 1.885 -1.414 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.461 1.654 -2.495 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.140 -0.049 -2.819 1.00 0.00 H ATOM 148 N LYS A 10 0.900 -1.366 -1.905 1.00 0.00 N ATOM 149 CA LYS A 10 -0.144 -2.393 -2.166 1.00 0.00 C ATOM 150 C LYS A 10 -1.303 -2.205 -1.184 1.00 0.00 C ATOM 151 O LYS A 10 -2.450 -2.074 -1.573 1.00 0.00 O ATOM 152 CB LYS A 10 0.550 -3.732 -1.936 1.00 0.00 C ATOM 153 CG LYS A 10 0.224 -4.685 -3.089 1.00 0.00 C ATOM 154 CD LYS A 10 -0.336 -5.994 -2.526 1.00 0.00 C ATOM 155 CE LYS A 10 0.799 -7.005 -2.361 1.00 0.00 C ATOM 156 NZ LYS A 10 0.565 -7.633 -1.031 1.00 0.00 N ATOM 157 H LYS A 10 1.832 -1.636 -1.767 1.00 0.00 H ATOM 158 HA LYS A 10 -0.491 -2.329 -3.181 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.617 -3.576 -1.889 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.204 -4.160 -1.011 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.508 -4.228 -3.739 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.123 -4.892 -3.649 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.795 -5.806 -1.566 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.074 -6.392 -3.207 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.755 -7.749 -3.144 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.755 -6.504 -2.369 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.898 -6.994 -0.282 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.084 -8.533 -0.978 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.452 -7.811 -0.905 1.00 0.00 H ATOM 170 N VAL A 11 -1.014 -2.175 0.089 1.00 0.00 N ATOM 171 CA VAL A 11 -2.103 -1.978 1.085 1.00 0.00 C ATOM 172 C VAL A 11 -2.894 -0.721 0.724 1.00 0.00 C ATOM 173 O VAL A 11 -4.110 -0.709 0.743 1.00 0.00 O ATOM 174 CB VAL A 11 -1.396 -1.803 2.429 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.663 -3.096 2.791 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.387 -0.655 2.332 1.00 0.00 C ATOM 177 H VAL A 11 -0.083 -2.270 0.387 1.00 0.00 H ATOM 178 HA VAL A 11 -2.749 -2.840 1.113 1.00 0.00 H ATOM 179 HB VAL A 11 -2.126 -1.579 3.192 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.036 -3.904 2.177 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.833 -3.328 3.832 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.395 -2.971 2.616 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.910 0.289 2.369 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.156 -0.729 1.402 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.306 -0.715 3.159 1.00 0.00 H ATOM 186 N ALA A 12 -2.210 0.336 0.384 1.00 0.00 N ATOM 187 CA ALA A 12 -2.918 1.589 0.011 1.00 0.00 C ATOM 188 C ALA A 12 -3.833 1.337 -1.182 1.00 0.00 C ATOM 189 O ALA A 12 -4.830 2.006 -1.359 1.00 0.00 O ATOM 190 CB ALA A 12 -1.822 2.583 -0.343 1.00 0.00 C ATOM 191 H ALA A 12 -1.231 0.304 0.368 1.00 0.00 H ATOM 192 HA ALA A 12 -3.487 1.954 0.840 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.249 3.400 -0.904 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.069 2.090 -0.936 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.377 2.963 0.566 1.00 0.00 H ATOM 196 N GLU A 13 -3.519 0.368 -1.993 1.00 0.00 N ATOM 197 CA GLU A 13 -4.396 0.074 -3.151 1.00 0.00 C ATOM 198 C GLU A 13 -5.718 -0.488 -2.621 1.00 0.00 C ATOM 199 O GLU A 13 -6.783 -0.233 -3.153 1.00 0.00 O ATOM 200 CB GLU A 13 -3.615 -0.952 -3.998 1.00 0.00 C ATOM 201 CG GLU A 13 -4.222 -2.356 -3.865 1.00 0.00 C ATOM 202 CD GLU A 13 -3.412 -3.347 -4.705 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.978 -2.966 -5.780 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.240 -4.468 -4.258 1.00 0.00 O ATOM 205 H GLU A 13 -2.721 -0.172 -1.833 1.00 0.00 H ATOM 206 HA GLU A 13 -4.569 0.972 -3.720 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.643 -0.651 -5.035 1.00 0.00 H ATOM 208 HB3 GLU A 13 -2.588 -0.977 -3.664 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.201 -2.661 -2.829 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.243 -2.341 -4.216 1.00 0.00 H ATOM 211 N LYS A 14 -5.649 -1.238 -1.555 1.00 0.00 N ATOM 212 CA LYS A 14 -6.883 -1.803 -0.972 1.00 0.00 C ATOM 213 C LYS A 14 -7.522 -0.768 -0.060 1.00 0.00 C ATOM 214 O LYS A 14 -8.678 -0.852 0.283 1.00 0.00 O ATOM 215 CB LYS A 14 -6.439 -3.035 -0.187 1.00 0.00 C ATOM 216 CG LYS A 14 -7.417 -4.185 -0.444 1.00 0.00 C ATOM 217 CD LYS A 14 -7.948 -4.712 0.891 1.00 0.00 C ATOM 218 CE LYS A 14 -7.185 -5.981 1.279 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.342 -5.584 2.440 1.00 0.00 N ATOM 220 H LYS A 14 -4.788 -1.412 -1.131 1.00 0.00 H ATOM 221 HA LYS A 14 -7.558 -2.084 -1.749 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.450 -3.325 -0.507 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.428 -2.803 0.866 1.00 0.00 H ATOM 224 HG2 LYS A 14 -8.240 -3.827 -1.045 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.907 -4.981 -0.966 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.812 -3.960 1.655 1.00 0.00 H ATOM 227 HD3 LYS A 14 -8.998 -4.941 0.795 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.877 -6.762 1.562 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.559 -6.307 0.463 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.592 -6.289 2.582 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.934 -5.529 3.294 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.912 -4.655 2.256 1.00 0.00 H ATOM 233 N PHE A 15 -6.781 0.227 0.320 1.00 0.00 N ATOM 234 CA PHE A 15 -7.363 1.274 1.184 1.00 0.00 C ATOM 235 C PHE A 15 -8.197 2.210 0.318 1.00 0.00 C ATOM 236 O PHE A 15 -9.216 2.727 0.734 1.00 0.00 O ATOM 237 CB PHE A 15 -6.167 2.007 1.794 1.00 0.00 C ATOM 238 CG PHE A 15 -6.644 3.264 2.479 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.043 3.218 3.820 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.689 4.474 1.775 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.488 4.382 4.458 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.133 5.638 2.414 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.533 5.592 3.756 1.00 0.00 C ATOM 244 H PHE A 15 -5.852 0.291 0.026 1.00 0.00 H ATOM 245 HA PHE A 15 -7.965 0.830 1.949 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.682 1.366 2.515 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.467 2.266 1.013 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.007 2.284 4.362 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.381 4.508 0.741 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.795 4.346 5.493 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.168 6.571 1.873 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.876 6.490 4.248 1.00 0.00 H ATOM 253 N LYS A 16 -7.778 2.408 -0.899 1.00 0.00 N ATOM 254 CA LYS A 16 -8.541 3.288 -1.814 1.00 0.00 C ATOM 255 C LYS A 16 -9.598 2.469 -2.543 1.00 0.00 C ATOM 256 O LYS A 16 -10.556 2.996 -3.073 1.00 0.00 O ATOM 257 CB LYS A 16 -7.514 3.851 -2.790 1.00 0.00 C ATOM 258 CG LYS A 16 -7.493 5.375 -2.669 1.00 0.00 C ATOM 259 CD LYS A 16 -7.067 5.991 -4.002 1.00 0.00 C ATOM 260 CE LYS A 16 -8.179 6.912 -4.516 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.990 8.204 -3.794 1.00 0.00 N ATOM 262 H LYS A 16 -6.971 1.960 -1.214 1.00 0.00 H ATOM 263 HA LYS A 16 -8.994 4.086 -1.263 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.538 3.454 -2.552 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.787 3.575 -3.795 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.480 5.728 -2.408 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.792 5.666 -1.900 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.161 6.563 -3.862 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.891 5.207 -4.722 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.082 7.056 -5.582 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.146 6.497 -4.280 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.918 8.978 -4.485 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.120 8.166 -3.224 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.805 8.376 -3.171 1.00 0.00 H ATOM 275 N GLU A 17 -9.441 1.175 -2.557 1.00 0.00 N ATOM 276 CA GLU A 17 -10.446 0.319 -3.229 1.00 0.00 C ATOM 277 C GLU A 17 -11.378 -0.270 -2.176 1.00 0.00 C ATOM 278 O GLU A 17 -12.586 -0.164 -2.263 1.00 0.00 O ATOM 279 CB GLU A 17 -9.645 -0.777 -3.930 1.00 0.00 C ATOM 280 CG GLU A 17 -8.771 -0.153 -5.022 1.00 0.00 C ATOM 281 CD GLU A 17 -7.794 -1.201 -5.558 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.255 -2.216 -6.052 1.00 0.00 O ATOM 283 OE2 GLU A 17 -6.599 -0.969 -5.466 1.00 0.00 O ATOM 284 H GLU A 17 -8.670 0.768 -2.111 1.00 0.00 H ATOM 285 HA GLU A 17 -10.997 0.892 -3.943 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.018 -1.280 -3.209 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.323 -1.486 -4.377 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.400 0.198 -5.827 1.00 0.00 H ATOM 289 HG3 GLU A 17 -8.216 0.676 -4.610 1.00 0.00 H ATOM 290 N ALA A 18 -10.816 -0.872 -1.170 1.00 0.00 N ATOM 291 CA ALA A 18 -11.641 -1.455 -0.085 1.00 0.00 C ATOM 292 C ALA A 18 -12.203 -0.330 0.787 1.00 0.00 C ATOM 293 O ALA A 18 -13.163 -0.508 1.510 1.00 0.00 O ATOM 294 CB ALA A 18 -10.673 -2.323 0.718 1.00 0.00 C ATOM 295 H ALA A 18 -9.845 -0.930 -1.123 1.00 0.00 H ATOM 296 HA ALA A 18 -12.432 -2.058 -0.493 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.925 -2.732 0.053 1.00 0.00 H ATOM 298 HB2 ALA A 18 -11.213 -3.125 1.192 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.189 -1.717 1.470 1.00 0.00 H ATOM 300 N PHE A 19 -11.608 0.831 0.717 1.00 0.00 N ATOM 301 CA PHE A 19 -12.101 1.974 1.532 1.00 0.00 C ATOM 302 C PHE A 19 -11.939 3.289 0.761 1.00 0.00 C ATOM 303 O PHE A 19 -11.699 4.327 1.345 1.00 0.00 O ATOM 304 CB PHE A 19 -11.230 1.980 2.788 1.00 0.00 C ATOM 305 CG PHE A 19 -11.333 0.643 3.481 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.450 0.346 4.271 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.310 -0.301 3.331 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.544 -0.895 4.913 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.405 -1.542 3.973 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.521 -1.839 4.763 1.00 0.00 C ATOM 311 H PHE A 19 -10.841 0.952 0.126 1.00 0.00 H ATOM 312 HA PHE A 19 -13.127 1.820 1.796 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.203 2.165 2.512 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.569 2.758 3.456 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.238 1.075 4.388 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.449 -0.072 2.721 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.405 -1.123 5.523 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.616 -2.270 3.857 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.592 -2.796 5.258 1.00 0.00 H HETATM 320 N NH2 A 20 -12.064 3.287 -0.537 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.967 4.123 -1.039 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.257 2.451 -1.010 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 31 HETATM 1 C ACE A 1 12.056 -0.642 -0.944 1.00 0.00 C HETATM 2 O ACE A 1 10.995 -0.056 -1.003 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.108 -0.275 0.094 1.00 0.00 C HETATM 4 H1 ACE A 1 12.719 -0.484 1.081 1.00 0.00 H HETATM 5 H2 ACE A 1 13.343 0.772 0.012 1.00 0.00 H HETATM 6 H3 ACE A 1 13.997 -0.863 -0.073 1.00 0.00 H ATOM 7 N ASP A 2 12.319 -1.637 -1.736 1.00 0.00 N ATOM 8 CA ASP A 2 11.314 -2.063 -2.718 1.00 0.00 C ATOM 9 C ASP A 2 10.197 -2.678 -1.907 1.00 0.00 C ATOM 10 O ASP A 2 9.041 -2.605 -2.252 1.00 0.00 O ATOM 11 CB ASP A 2 12.011 -3.104 -3.592 1.00 0.00 C ATOM 12 CG ASP A 2 12.344 -4.339 -2.751 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.257 -4.255 -1.946 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.682 -5.349 -2.927 1.00 0.00 O ATOM 15 H ASP A 2 13.146 -2.127 -1.648 1.00 0.00 H ATOM 16 HA ASP A 2 10.965 -1.230 -3.304 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.360 -3.386 -4.406 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.925 -2.686 -3.989 1.00 0.00 H ATOM 19 N TRP A 3 10.575 -3.255 -0.793 1.00 0.00 N ATOM 20 CA TRP A 3 9.600 -3.870 0.127 1.00 0.00 C ATOM 21 C TRP A 3 8.815 -2.761 0.858 1.00 0.00 C ATOM 22 O TRP A 3 7.825 -3.017 1.511 1.00 0.00 O ATOM 23 CB TRP A 3 10.467 -4.678 1.116 1.00 0.00 C ATOM 24 CG TRP A 3 10.979 -3.747 2.163 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.379 -2.488 1.911 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.151 -3.951 3.596 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.706 -1.874 3.085 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.616 -2.737 4.161 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.939 -5.044 4.453 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.861 -2.613 5.528 1.00 0.00 C ATOM 31 CZ3 TRP A 3 11.193 -4.926 5.829 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.654 -3.713 6.365 1.00 0.00 C ATOM 33 H TRP A 3 11.521 -3.262 -0.556 1.00 0.00 H ATOM 34 HA TRP A 3 8.945 -4.518 -0.406 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.870 -5.452 1.575 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.298 -5.123 0.588 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.390 -2.019 0.946 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.982 -0.945 3.159 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.585 -5.981 4.050 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.216 -1.677 5.935 1.00 0.00 H ATOM 41 HZ3 TRP A 3 11.034 -5.773 6.479 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.849 -3.630 7.424 1.00 0.00 H ATOM 43 N PHE A 4 9.269 -1.531 0.744 1.00 0.00 N ATOM 44 CA PHE A 4 8.584 -0.396 1.413 1.00 0.00 C ATOM 45 C PHE A 4 7.529 0.117 0.461 1.00 0.00 C ATOM 46 O PHE A 4 6.352 0.051 0.722 1.00 0.00 O ATOM 47 CB PHE A 4 9.665 0.665 1.659 1.00 0.00 C ATOM 48 CG PHE A 4 9.013 2.017 1.816 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.594 2.449 3.078 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.818 2.832 0.695 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.983 3.700 3.221 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.205 4.082 0.838 1.00 0.00 C ATOM 53 CZ PHE A 4 7.787 4.517 2.100 1.00 0.00 C ATOM 54 H PHE A 4 10.059 -1.355 0.209 1.00 0.00 H ATOM 55 HA PHE A 4 8.150 -0.710 2.340 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.210 0.422 2.562 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.344 0.690 0.823 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.744 1.818 3.941 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.141 2.498 -0.279 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.660 4.034 4.196 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.053 4.711 -0.027 1.00 0.00 H ATOM 62 HZ PHE A 4 7.314 5.481 2.210 1.00 0.00 H ATOM 63 N LYS A 5 7.947 0.571 -0.680 1.00 0.00 N ATOM 64 CA LYS A 5 6.957 1.012 -1.675 1.00 0.00 C ATOM 65 C LYS A 5 6.112 -0.214 -2.021 1.00 0.00 C ATOM 66 O LYS A 5 5.050 -0.116 -2.597 1.00 0.00 O ATOM 67 CB LYS A 5 7.775 1.493 -2.881 1.00 0.00 C ATOM 68 CG LYS A 5 8.257 0.292 -3.708 1.00 0.00 C ATOM 69 CD LYS A 5 7.232 -0.022 -4.800 1.00 0.00 C ATOM 70 CE LYS A 5 7.271 1.072 -5.870 1.00 0.00 C ATOM 71 NZ LYS A 5 7.811 0.406 -7.090 1.00 0.00 N ATOM 72 H LYS A 5 8.900 0.573 -0.895 1.00 0.00 H ATOM 73 HA LYS A 5 6.349 1.808 -1.282 1.00 0.00 H ATOM 74 HB2 LYS A 5 7.161 2.131 -3.500 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.632 2.050 -2.533 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.208 0.527 -4.163 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.369 -0.568 -3.065 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.468 -0.976 -5.250 1.00 0.00 H ATOM 79 HD3 LYS A 5 6.244 -0.063 -4.365 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.274 1.450 -6.054 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.928 1.871 -5.564 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.847 0.484 -7.097 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.421 0.868 -7.937 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.540 -0.597 -7.085 1.00 0.00 H ATOM 85 N ALA A 6 6.596 -1.383 -1.659 1.00 0.00 N ATOM 86 CA ALA A 6 5.851 -2.630 -1.954 1.00 0.00 C ATOM 87 C ALA A 6 4.674 -2.804 -0.991 1.00 0.00 C ATOM 88 O ALA A 6 3.601 -3.222 -1.381 1.00 0.00 O ATOM 89 CB ALA A 6 6.884 -3.738 -1.757 1.00 0.00 C ATOM 90 H ALA A 6 7.461 -1.441 -1.191 1.00 0.00 H ATOM 91 HA ALA A 6 5.515 -2.629 -2.967 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.395 -3.923 -2.693 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.396 -4.638 -1.427 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.603 -3.423 -1.016 1.00 0.00 H ATOM 95 N PHE A 7 4.860 -2.500 0.263 1.00 0.00 N ATOM 96 CA PHE A 7 3.740 -2.673 1.229 1.00 0.00 C ATOM 97 C PHE A 7 2.841 -1.435 1.254 1.00 0.00 C ATOM 98 O PHE A 7 1.631 -1.537 1.280 1.00 0.00 O ATOM 99 CB PHE A 7 4.400 -2.926 2.598 1.00 0.00 C ATOM 100 CG PHE A 7 4.788 -1.622 3.266 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.802 -0.788 3.805 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.136 -1.252 3.355 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.160 0.416 4.426 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.495 -0.048 3.976 1.00 0.00 C ATOM 105 CZ PHE A 7 5.507 0.786 4.510 1.00 0.00 C ATOM 106 H PHE A 7 5.729 -2.172 0.568 1.00 0.00 H ATOM 107 HA PHE A 7 3.163 -3.529 0.946 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.705 -3.456 3.233 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.283 -3.532 2.458 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.767 -1.072 3.741 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.901 -1.894 2.948 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.397 1.056 4.842 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.535 0.237 4.039 1.00 0.00 H ATOM 114 HZ PHE A 7 5.783 1.715 4.986 1.00 0.00 H ATOM 115 N TYR A 8 3.420 -0.274 1.254 1.00 0.00 N ATOM 116 CA TYR A 8 2.612 0.972 1.292 1.00 0.00 C ATOM 117 C TYR A 8 1.883 1.190 -0.039 1.00 0.00 C ATOM 118 O TYR A 8 0.890 1.886 -0.100 1.00 0.00 O ATOM 119 CB TYR A 8 3.639 2.082 1.539 1.00 0.00 C ATOM 120 CG TYR A 8 3.004 3.439 1.343 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.820 3.950 0.052 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.609 4.193 2.456 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.240 5.213 -0.126 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.032 5.457 2.277 1.00 0.00 C ATOM 125 CZ TYR A 8 1.847 5.966 0.986 1.00 0.00 C ATOM 126 OH TYR A 8 1.281 7.212 0.812 1.00 0.00 O ATOM 127 H TYR A 8 4.388 -0.219 1.243 1.00 0.00 H ATOM 128 HA TYR A 8 1.911 0.934 2.104 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.012 2.005 2.548 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.460 1.968 0.847 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.124 3.371 -0.807 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.752 3.803 3.453 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.099 5.606 -1.122 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.728 6.037 3.134 1.00 0.00 H ATOM 135 HH TYR A 8 0.362 7.087 0.567 1.00 0.00 H ATOM 136 N ASP A 9 2.358 0.606 -1.107 1.00 0.00 N ATOM 137 CA ASP A 9 1.677 0.805 -2.415 1.00 0.00 C ATOM 138 C ASP A 9 0.529 -0.192 -2.578 1.00 0.00 C ATOM 139 O ASP A 9 -0.599 0.182 -2.832 1.00 0.00 O ATOM 140 CB ASP A 9 2.758 0.565 -3.466 1.00 0.00 C ATOM 141 CG ASP A 9 2.205 0.866 -4.859 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.001 0.770 -5.031 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.995 1.188 -5.732 1.00 0.00 O ATOM 144 H ASP A 9 3.158 0.042 -1.051 1.00 0.00 H ATOM 145 HA ASP A 9 1.315 1.810 -2.489 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.597 1.218 -3.268 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.081 -0.463 -3.423 1.00 0.00 H ATOM 148 N LYS A 10 0.809 -1.458 -2.435 1.00 0.00 N ATOM 149 CA LYS A 10 -0.262 -2.481 -2.583 1.00 0.00 C ATOM 150 C LYS A 10 -1.284 -2.361 -1.447 1.00 0.00 C ATOM 151 O LYS A 10 -2.469 -2.550 -1.643 1.00 0.00 O ATOM 152 CB LYS A 10 0.459 -3.825 -2.508 1.00 0.00 C ATOM 153 CG LYS A 10 0.824 -4.297 -3.917 1.00 0.00 C ATOM 154 CD LYS A 10 2.176 -3.709 -4.325 1.00 0.00 C ATOM 155 CE LYS A 10 2.929 -4.723 -5.189 1.00 0.00 C ATOM 156 NZ LYS A 10 4.372 -4.439 -4.953 1.00 0.00 N ATOM 157 H LYS A 10 1.725 -1.738 -2.232 1.00 0.00 H ATOM 158 HA LYS A 10 -0.743 -2.379 -3.537 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.357 -3.718 -1.919 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.192 -4.551 -2.047 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.883 -5.375 -3.930 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.066 -3.970 -4.614 1.00 0.00 H ATOM 163 HD2 LYS A 10 2.017 -2.800 -4.888 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.755 -3.489 -3.442 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.687 -5.732 -4.882 1.00 0.00 H ATOM 166 HE3 LYS A 10 2.690 -4.579 -6.231 1.00 0.00 H ATOM 167 HZ1 LYS A 10 4.589 -3.470 -5.262 1.00 0.00 H ATOM 168 HZ2 LYS A 10 4.952 -5.114 -5.492 1.00 0.00 H ATOM 169 HZ3 LYS A 10 4.583 -4.531 -3.940 1.00 0.00 H ATOM 170 N VAL A 11 -0.837 -2.066 -0.255 1.00 0.00 N ATOM 171 CA VAL A 11 -1.783 -1.959 0.887 1.00 0.00 C ATOM 172 C VAL A 11 -2.600 -0.670 0.811 1.00 0.00 C ATOM 173 O VAL A 11 -3.797 -0.671 1.024 1.00 0.00 O ATOM 174 CB VAL A 11 -0.906 -1.978 2.147 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.425 -0.562 2.494 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.725 -2.534 3.314 1.00 0.00 C ATOM 177 H VAL A 11 0.120 -1.928 -0.109 1.00 0.00 H ATOM 178 HA VAL A 11 -2.438 -2.807 0.893 1.00 0.00 H ATOM 179 HB VAL A 11 -0.051 -2.611 1.974 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.132 -0.156 1.664 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.208 -0.601 3.369 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.279 0.067 2.698 1.00 0.00 H ATOM 183 HG21 VAL A 11 -1.785 -1.792 4.098 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.250 -3.425 3.698 1.00 0.00 H ATOM 185 HG23 VAL A 11 -2.720 -2.775 2.971 1.00 0.00 H ATOM 186 N ALA A 12 -1.969 0.428 0.523 1.00 0.00 N ATOM 187 CA ALA A 12 -2.724 1.703 0.457 1.00 0.00 C ATOM 188 C ALA A 12 -3.651 1.710 -0.746 1.00 0.00 C ATOM 189 O ALA A 12 -4.623 2.432 -0.785 1.00 0.00 O ATOM 190 CB ALA A 12 -1.671 2.793 0.334 1.00 0.00 C ATOM 191 H ALA A 12 -1.004 0.416 0.363 1.00 0.00 H ATOM 192 HA ALA A 12 -3.285 1.842 1.354 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.160 3.745 0.193 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.037 2.581 -0.511 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.082 2.820 1.236 1.00 0.00 H ATOM 196 N GLU A 13 -3.365 0.914 -1.730 1.00 0.00 N ATOM 197 CA GLU A 13 -4.245 0.883 -2.921 1.00 0.00 C ATOM 198 C GLU A 13 -5.421 -0.060 -2.679 1.00 0.00 C ATOM 199 O GLU A 13 -6.483 0.089 -3.254 1.00 0.00 O ATOM 200 CB GLU A 13 -3.369 0.367 -4.062 1.00 0.00 C ATOM 201 CG GLU A 13 -4.259 0.013 -5.254 1.00 0.00 C ATOM 202 CD GLU A 13 -5.085 1.238 -5.652 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.655 2.340 -5.353 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.133 1.053 -6.246 1.00 0.00 O ATOM 205 H GLU A 13 -2.578 0.338 -1.683 1.00 0.00 H ATOM 206 HA GLU A 13 -4.596 1.871 -3.144 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.661 1.132 -4.351 1.00 0.00 H ATOM 208 HB3 GLU A 13 -2.836 -0.514 -3.737 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.644 -0.296 -6.087 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.925 -0.791 -4.979 1.00 0.00 H ATOM 211 N LYS A 14 -5.252 -1.020 -1.814 1.00 0.00 N ATOM 212 CA LYS A 14 -6.350 -1.950 -1.531 1.00 0.00 C ATOM 213 C LYS A 14 -7.164 -1.393 -0.389 1.00 0.00 C ATOM 214 O LYS A 14 -8.290 -1.751 -0.198 1.00 0.00 O ATOM 215 CB LYS A 14 -5.676 -3.264 -1.139 1.00 0.00 C ATOM 216 CG LYS A 14 -6.736 -4.296 -0.744 1.00 0.00 C ATOM 217 CD LYS A 14 -6.636 -5.510 -1.671 1.00 0.00 C ATOM 218 CE LYS A 14 -6.048 -6.695 -0.899 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.875 -7.137 -1.707 1.00 0.00 N ATOM 220 H LYS A 14 -4.416 -1.114 -1.336 1.00 0.00 H ATOM 221 HA LYS A 14 -6.957 -2.083 -2.402 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.106 -3.636 -1.977 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.015 -3.091 -0.303 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.568 -4.607 0.277 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.719 -3.856 -0.831 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.622 -5.768 -2.031 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.997 -5.275 -2.507 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.731 -6.380 0.086 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.769 -7.493 -0.827 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.184 -7.829 -2.417 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.168 -7.575 -1.079 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.453 -6.317 -2.185 1.00 0.00 H ATOM 233 N PHE A 15 -6.605 -0.496 0.364 1.00 0.00 N ATOM 234 CA PHE A 15 -7.374 0.089 1.476 1.00 0.00 C ATOM 235 C PHE A 15 -8.052 1.365 0.997 1.00 0.00 C ATOM 236 O PHE A 15 -9.031 1.813 1.559 1.00 0.00 O ATOM 237 CB PHE A 15 -6.360 0.356 2.584 1.00 0.00 C ATOM 238 CG PHE A 15 -6.468 -0.742 3.615 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.624 -0.849 4.395 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.423 -1.659 3.784 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.737 -1.868 5.345 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.536 -2.679 4.738 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.693 -2.783 5.517 1.00 0.00 C ATOM 244 H PHE A 15 -5.690 -0.201 0.188 1.00 0.00 H ATOM 245 HA PHE A 15 -8.105 -0.610 1.812 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.364 0.369 2.167 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.574 1.307 3.048 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.431 -0.141 4.263 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.528 -1.578 3.182 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.630 -1.947 5.946 1.00 0.00 H ATOM 251 HE2 PHE A 15 -4.730 -3.386 4.871 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.782 -3.570 6.252 1.00 0.00 H ATOM 253 N LYS A 16 -7.565 1.931 -0.071 1.00 0.00 N ATOM 254 CA LYS A 16 -8.208 3.150 -0.612 1.00 0.00 C ATOM 255 C LYS A 16 -9.302 2.727 -1.585 1.00 0.00 C ATOM 256 O LYS A 16 -10.287 3.415 -1.776 1.00 0.00 O ATOM 257 CB LYS A 16 -7.104 3.918 -1.328 1.00 0.00 C ATOM 258 CG LYS A 16 -7.458 5.403 -1.361 1.00 0.00 C ATOM 259 CD LYS A 16 -6.445 6.181 -0.522 1.00 0.00 C ATOM 260 CE LYS A 16 -7.111 7.432 0.053 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.080 8.498 -0.068 1.00 0.00 N ATOM 262 H LYS A 16 -6.799 1.537 -0.530 1.00 0.00 H ATOM 263 HA LYS A 16 -8.614 3.736 0.187 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.174 3.783 -0.798 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.005 3.551 -2.337 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.434 5.760 -2.380 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.447 5.547 -0.951 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.090 5.556 0.286 1.00 0.00 H ATOM 269 HD3 LYS A 16 -5.613 6.474 -1.146 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.991 7.686 -0.522 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.368 7.281 1.090 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.269 9.247 0.629 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.110 8.900 -1.027 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.140 8.092 0.111 1.00 0.00 H ATOM 275 N GLU A 17 -9.146 1.576 -2.186 1.00 0.00 N ATOM 276 CA GLU A 17 -10.185 1.083 -3.120 1.00 0.00 C ATOM 277 C GLU A 17 -11.176 0.227 -2.336 1.00 0.00 C ATOM 278 O GLU A 17 -12.375 0.317 -2.513 1.00 0.00 O ATOM 279 CB GLU A 17 -9.443 0.246 -4.157 1.00 0.00 C ATOM 280 CG GLU A 17 -10.169 0.334 -5.504 1.00 0.00 C ATOM 281 CD GLU A 17 -11.673 0.135 -5.298 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.085 -1.003 -5.142 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.388 1.125 -5.297 1.00 0.00 O ATOM 284 H GLU A 17 -8.354 1.027 -2.000 1.00 0.00 H ATOM 285 HA GLU A 17 -10.680 1.906 -3.593 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.437 0.623 -4.265 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.414 -0.781 -3.833 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.992 1.305 -5.944 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.795 -0.433 -6.165 1.00 0.00 H ATOM 290 N ALA A 18 -10.676 -0.588 -1.446 1.00 0.00 N ATOM 291 CA ALA A 18 -11.571 -1.433 -0.619 1.00 0.00 C ATOM 292 C ALA A 18 -12.306 -0.540 0.385 1.00 0.00 C ATOM 293 O ALA A 18 -13.369 -0.872 0.870 1.00 0.00 O ATOM 294 CB ALA A 18 -10.636 -2.408 0.098 1.00 0.00 C ATOM 295 H ALA A 18 -9.709 -0.629 -1.309 1.00 0.00 H ATOM 296 HA ALA A 18 -12.266 -1.969 -1.242 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.052 -1.871 0.834 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.969 -2.863 -0.626 1.00 0.00 H ATOM 299 HB3 ALA A 18 -11.211 -3.175 0.584 1.00 0.00 H ATOM 300 N PHE A 19 -11.742 0.603 0.684 1.00 0.00 N ATOM 301 CA PHE A 19 -12.393 1.537 1.640 1.00 0.00 C ATOM 302 C PHE A 19 -11.796 2.940 1.501 1.00 0.00 C ATOM 303 O PHE A 19 -11.497 3.591 2.482 1.00 0.00 O ATOM 304 CB PHE A 19 -12.101 0.968 3.021 1.00 0.00 C ATOM 305 CG PHE A 19 -13.354 0.322 3.570 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.509 1.091 3.772 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.362 -1.045 3.875 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.669 0.491 4.277 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.524 -1.643 4.382 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.677 -0.874 4.582 1.00 0.00 C ATOM 311 H PHE A 19 -10.890 0.848 0.273 1.00 0.00 H ATOM 312 HA PHE A 19 -13.449 1.561 1.471 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.314 0.234 2.945 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.791 1.768 3.675 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.503 2.144 3.536 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.473 -1.639 3.721 1.00 0.00 H ATOM 317 HE1 PHE A 19 -16.560 1.084 4.432 1.00 0.00 H ATOM 318 HE2 PHE A 19 -14.530 -2.697 4.617 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.572 -1.335 4.971 1.00 0.00 H HETATM 320 N NH2 A 20 -11.615 3.442 0.309 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.241 4.343 0.208 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.855 2.920 -0.483 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 32 HETATM 1 C ACE A 1 11.501 -1.849 -0.287 1.00 0.00 C HETATM 2 O ACE A 1 10.675 -0.981 -0.109 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.777 -1.905 0.540 1.00 0.00 C HETATM 4 H1 ACE A 1 12.623 -1.368 1.466 1.00 0.00 H HETATM 5 H2 ACE A 1 13.585 -1.456 -0.011 1.00 0.00 H HETATM 6 H3 ACE A 1 13.013 -2.936 0.758 1.00 0.00 H ATOM 7 N ASP A 2 11.310 -2.795 -1.164 1.00 0.00 N ATOM 8 CA ASP A 2 10.062 -2.815 -1.965 1.00 0.00 C ATOM 9 C ASP A 2 8.893 -3.047 -1.012 1.00 0.00 C ATOM 10 O ASP A 2 7.740 -2.955 -1.365 1.00 0.00 O ATOM 11 CB ASP A 2 10.215 -3.984 -2.933 1.00 0.00 C ATOM 12 CG ASP A 2 10.382 -3.454 -4.359 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.072 -2.296 -4.580 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.816 -4.219 -5.205 1.00 0.00 O ATOM 15 H ASP A 2 11.968 -3.503 -1.267 1.00 0.00 H ATOM 16 HA ASP A 2 9.943 -1.896 -2.504 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.085 -4.561 -2.659 1.00 0.00 H ATOM 18 HB3 ASP A 2 9.336 -4.606 -2.882 1.00 0.00 H ATOM 19 N TRP A 3 9.190 -3.354 0.206 1.00 0.00 N ATOM 20 CA TRP A 3 8.115 -3.592 1.185 1.00 0.00 C ATOM 21 C TRP A 3 7.742 -2.238 1.744 1.00 0.00 C ATOM 22 O TRP A 3 6.604 -1.948 2.047 1.00 0.00 O ATOM 23 CB TRP A 3 8.719 -4.549 2.217 1.00 0.00 C ATOM 24 CG TRP A 3 9.631 -5.455 1.464 1.00 0.00 C ATOM 25 CD1 TRP A 3 9.391 -5.891 0.210 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.915 -5.989 1.848 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.465 -6.617 -0.224 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.430 -6.737 0.764 1.00 0.00 C ATOM 29 CE3 TRP A 3 11.673 -5.896 3.018 1.00 0.00 C ATOM 30 CZ2 TRP A 3 12.669 -7.369 0.843 1.00 0.00 C ATOM 31 CZ3 TRP A 3 12.918 -6.535 3.108 1.00 0.00 C ATOM 32 CH2 TRP A 3 13.417 -7.271 2.022 1.00 0.00 C ATOM 33 H TRP A 3 10.117 -3.433 0.483 1.00 0.00 H ATOM 34 HA TRP A 3 7.290 -4.050 0.700 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.275 -3.991 2.958 1.00 0.00 H ATOM 36 HB3 TRP A 3 7.940 -5.125 2.691 1.00 0.00 H ATOM 37 HD1 TRP A 3 8.512 -5.662 -0.376 1.00 0.00 H ATOM 38 HE1 TRP A 3 10.540 -7.012 -1.110 1.00 0.00 H ATOM 39 HE3 TRP A 3 11.290 -5.329 3.853 1.00 0.00 H ATOM 40 HZ2 TRP A 3 13.048 -7.930 0.004 1.00 0.00 H ATOM 41 HZ3 TRP A 3 13.496 -6.459 4.017 1.00 0.00 H ATOM 42 HH2 TRP A 3 14.376 -7.761 2.097 1.00 0.00 H ATOM 43 N PHE A 4 8.703 -1.371 1.797 1.00 0.00 N ATOM 44 CA PHE A 4 8.420 -0.003 2.251 1.00 0.00 C ATOM 45 C PHE A 4 7.708 0.733 1.115 1.00 0.00 C ATOM 46 O PHE A 4 6.669 1.332 1.295 1.00 0.00 O ATOM 47 CB PHE A 4 9.787 0.618 2.528 1.00 0.00 C ATOM 48 CG PHE A 4 9.971 0.785 4.019 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.502 -0.200 4.896 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.612 1.924 4.522 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.675 -0.046 6.277 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.783 2.077 5.904 1.00 0.00 C ATOM 53 CZ PHE A 4 10.315 1.091 6.780 1.00 0.00 C ATOM 54 H PHE A 4 9.600 -1.611 1.484 1.00 0.00 H ATOM 55 HA PHE A 4 7.830 -0.014 3.140 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.557 -0.030 2.140 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.846 1.582 2.047 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.007 -1.079 4.509 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.974 2.684 3.846 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.314 -0.806 6.954 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.278 2.955 6.292 1.00 0.00 H ATOM 62 HZ PHE A 4 10.448 1.210 7.846 1.00 0.00 H ATOM 63 N LYS A 5 8.268 0.674 -0.067 1.00 0.00 N ATOM 64 CA LYS A 5 7.650 1.368 -1.227 1.00 0.00 C ATOM 65 C LYS A 5 6.768 0.436 -2.075 1.00 0.00 C ATOM 66 O LYS A 5 5.715 0.845 -2.523 1.00 0.00 O ATOM 67 CB LYS A 5 8.817 1.919 -2.059 1.00 0.00 C ATOM 68 CG LYS A 5 9.899 0.850 -2.239 1.00 0.00 C ATOM 69 CD LYS A 5 10.912 1.320 -3.284 1.00 0.00 C ATOM 70 CE LYS A 5 12.183 1.794 -2.575 1.00 0.00 C ATOM 71 NZ LYS A 5 13.189 1.963 -3.660 1.00 0.00 N ATOM 72 H LYS A 5 9.093 0.179 -0.182 1.00 0.00 H ATOM 73 HA LYS A 5 7.061 2.189 -0.870 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.451 2.222 -3.028 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.242 2.774 -1.554 1.00 0.00 H ATOM 76 HG2 LYS A 5 10.408 0.694 -1.300 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.447 -0.074 -2.566 1.00 0.00 H ATOM 78 HD2 LYS A 5 11.150 0.502 -3.948 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.490 2.137 -3.850 1.00 0.00 H ATOM 80 HE2 LYS A 5 12.004 2.737 -2.075 1.00 0.00 H ATOM 81 HE3 LYS A 5 12.522 1.052 -1.870 1.00 0.00 H ATOM 82 HZ1 LYS A 5 12.782 2.542 -4.422 1.00 0.00 H ATOM 83 HZ2 LYS A 5 13.454 1.030 -4.035 1.00 0.00 H ATOM 84 HZ3 LYS A 5 14.031 2.438 -3.280 1.00 0.00 H ATOM 85 N ALA A 6 7.149 -0.798 -2.331 1.00 0.00 N ATOM 86 CA ALA A 6 6.252 -1.637 -3.170 1.00 0.00 C ATOM 87 C ALA A 6 5.080 -2.169 -2.343 1.00 0.00 C ATOM 88 O ALA A 6 4.029 -2.463 -2.877 1.00 0.00 O ATOM 89 CB ALA A 6 7.108 -2.769 -3.730 1.00 0.00 C ATOM 90 H ALA A 6 8.000 -1.163 -1.989 1.00 0.00 H ATOM 91 HA ALA A 6 5.877 -1.050 -3.983 1.00 0.00 H ATOM 92 HB1 ALA A 6 8.148 -2.567 -3.524 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.958 -2.834 -4.798 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.819 -3.699 -3.267 1.00 0.00 H ATOM 95 N PHE A 7 5.219 -2.279 -1.044 1.00 0.00 N ATOM 96 CA PHE A 7 4.071 -2.770 -0.245 1.00 0.00 C ATOM 97 C PHE A 7 3.272 -1.581 0.298 1.00 0.00 C ATOM 98 O PHE A 7 2.061 -1.638 0.386 1.00 0.00 O ATOM 99 CB PHE A 7 4.667 -3.616 0.874 1.00 0.00 C ATOM 100 CG PHE A 7 4.614 -5.074 0.483 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.784 -5.442 -0.856 1.00 0.00 C ATOM 102 CD2 PHE A 7 4.397 -6.058 1.458 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.737 -6.790 -1.224 1.00 0.00 C ATOM 104 CE2 PHE A 7 4.352 -7.408 1.089 1.00 0.00 C ATOM 105 CZ PHE A 7 4.522 -7.775 -0.252 1.00 0.00 C ATOM 106 H PHE A 7 6.056 -2.027 -0.601 1.00 0.00 H ATOM 107 HA PHE A 7 3.444 -3.381 -0.860 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.686 -3.330 1.027 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.104 -3.465 1.782 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.950 -4.683 -1.607 1.00 0.00 H ATOM 111 HD2 PHE A 7 4.265 -5.776 2.492 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.868 -7.073 -2.259 1.00 0.00 H ATOM 113 HE2 PHE A 7 4.186 -8.167 1.839 1.00 0.00 H ATOM 114 HZ PHE A 7 4.486 -8.816 -0.535 1.00 0.00 H ATOM 115 N TYR A 8 3.916 -0.485 0.637 1.00 0.00 N ATOM 116 CA TYR A 8 3.135 0.679 1.129 1.00 0.00 C ATOM 117 C TYR A 8 2.304 1.233 -0.028 1.00 0.00 C ATOM 118 O TYR A 8 1.244 1.799 0.161 1.00 0.00 O ATOM 119 CB TYR A 8 4.159 1.712 1.594 1.00 0.00 C ATOM 120 CG TYR A 8 3.429 2.916 2.141 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.663 2.801 3.308 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.514 4.146 1.478 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.982 3.917 3.810 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.835 5.261 1.981 1.00 0.00 C ATOM 125 CZ TYR A 8 2.068 5.148 3.147 1.00 0.00 C ATOM 126 OH TYR A 8 1.399 6.247 3.642 1.00 0.00 O ATOM 127 H TYR A 8 4.894 -0.423 0.550 1.00 0.00 H ATOM 128 HA TYR A 8 2.503 0.386 1.947 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.780 1.281 2.366 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.771 2.011 0.759 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.597 1.852 3.819 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.104 4.235 0.578 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.391 3.829 4.711 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.901 6.209 1.470 1.00 0.00 H ATOM 135 HH TYR A 8 0.503 5.978 3.860 1.00 0.00 H ATOM 136 N ASP A 9 2.776 1.049 -1.231 1.00 0.00 N ATOM 137 CA ASP A 9 2.026 1.534 -2.416 1.00 0.00 C ATOM 138 C ASP A 9 0.825 0.620 -2.668 1.00 0.00 C ATOM 139 O ASP A 9 -0.311 1.055 -2.683 1.00 0.00 O ATOM 140 CB ASP A 9 3.022 1.452 -3.573 1.00 0.00 C ATOM 141 CG ASP A 9 2.440 2.151 -4.802 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.240 2.058 -5.000 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.204 2.769 -5.525 1.00 0.00 O ATOM 144 H ASP A 9 3.623 0.579 -1.355 1.00 0.00 H ATOM 145 HA ASP A 9 1.711 2.549 -2.272 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.946 1.934 -3.287 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.214 0.415 -3.807 1.00 0.00 H ATOM 148 N LYS A 10 1.070 -0.648 -2.859 1.00 0.00 N ATOM 149 CA LYS A 10 -0.054 -1.595 -3.101 1.00 0.00 C ATOM 150 C LYS A 10 -1.109 -1.462 -2.000 1.00 0.00 C ATOM 151 O LYS A 10 -2.278 -1.270 -2.270 1.00 0.00 O ATOM 152 CB LYS A 10 0.581 -2.982 -3.068 1.00 0.00 C ATOM 153 CG LYS A 10 0.278 -3.713 -4.376 1.00 0.00 C ATOM 154 CD LYS A 10 -0.749 -4.819 -4.120 1.00 0.00 C ATOM 155 CE LYS A 10 -0.163 -5.844 -3.146 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.921 -7.100 -3.408 1.00 0.00 N ATOM 157 H LYS A 10 1.996 -0.977 -2.839 1.00 0.00 H ATOM 158 HA LYS A 10 -0.492 -1.420 -4.066 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.649 -2.883 -2.950 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.174 -3.543 -2.243 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.119 -3.012 -5.097 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.186 -4.152 -4.763 1.00 0.00 H ATOM 163 HD2 LYS A 10 -1.644 -4.386 -3.694 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.992 -5.306 -5.051 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.890 -5.991 -3.345 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.313 -5.527 -2.127 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.705 -7.181 -2.730 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.284 -7.916 -3.302 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -1.302 -7.080 -4.375 1.00 0.00 H ATOM 170 N VAL A 11 -0.709 -1.559 -0.760 1.00 0.00 N ATOM 171 CA VAL A 11 -1.702 -1.433 0.345 1.00 0.00 C ATOM 172 C VAL A 11 -2.572 -0.196 0.120 1.00 0.00 C ATOM 173 O VAL A 11 -3.783 -0.256 0.214 1.00 0.00 O ATOM 174 CB VAL A 11 -0.875 -1.296 1.624 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.028 -2.554 1.825 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.049 -0.088 1.506 1.00 0.00 C ATOM 177 H VAL A 11 0.237 -1.713 -0.558 1.00 0.00 H ATOM 178 HA VAL A 11 -2.315 -2.319 0.396 1.00 0.00 H ATOM 179 HB VAL A 11 -1.536 -1.166 2.468 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.116 -3.046 0.876 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.534 -3.224 2.505 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.931 -2.279 2.239 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.747 -0.086 2.329 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.537 0.819 1.526 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.588 -0.148 0.576 1.00 0.00 H ATOM 186 N ALA A 12 -1.973 0.924 -0.195 1.00 0.00 N ATOM 187 CA ALA A 12 -2.789 2.145 -0.442 1.00 0.00 C ATOM 188 C ALA A 12 -3.860 1.825 -1.474 1.00 0.00 C ATOM 189 O ALA A 12 -4.957 2.342 -1.426 1.00 0.00 O ATOM 190 CB ALA A 12 -1.813 3.186 -0.973 1.00 0.00 C ATOM 191 H ALA A 12 -0.998 0.957 -0.281 1.00 0.00 H ATOM 192 HA ALA A 12 -3.240 2.492 0.467 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.435 3.773 -0.148 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.325 3.833 -1.670 1.00 0.00 H ATOM 195 HB3 ALA A 12 -0.995 2.690 -1.469 1.00 0.00 H ATOM 196 N GLU A 13 -3.560 0.956 -2.395 1.00 0.00 N ATOM 197 CA GLU A 13 -4.575 0.583 -3.407 1.00 0.00 C ATOM 198 C GLU A 13 -5.669 -0.229 -2.717 1.00 0.00 C ATOM 199 O GLU A 13 -6.819 -0.214 -3.113 1.00 0.00 O ATOM 200 CB GLU A 13 -3.832 -0.264 -4.441 1.00 0.00 C ATOM 201 CG GLU A 13 -2.623 0.513 -4.972 1.00 0.00 C ATOM 202 CD GLU A 13 -2.530 0.339 -6.491 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.168 -0.565 -7.005 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.819 1.111 -7.113 1.00 0.00 O ATOM 205 H GLU A 13 -2.676 0.537 -2.409 1.00 0.00 H ATOM 206 HA GLU A 13 -4.985 1.463 -3.866 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.497 -1.181 -3.980 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.496 -0.495 -5.260 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.738 1.562 -4.736 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.723 0.136 -4.512 1.00 0.00 H ATOM 211 N LYS A 14 -5.316 -0.925 -1.668 1.00 0.00 N ATOM 212 CA LYS A 14 -6.320 -1.726 -0.930 1.00 0.00 C ATOM 213 C LYS A 14 -7.025 -0.837 0.085 1.00 0.00 C ATOM 214 O LYS A 14 -8.096 -1.144 0.560 1.00 0.00 O ATOM 215 CB LYS A 14 -5.524 -2.836 -0.235 1.00 0.00 C ATOM 216 CG LYS A 14 -6.317 -3.385 0.955 1.00 0.00 C ATOM 217 CD LYS A 14 -5.441 -4.357 1.744 1.00 0.00 C ATOM 218 CE LYS A 14 -4.598 -3.577 2.755 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.438 -3.509 3.981 1.00 0.00 N ATOM 220 H LYS A 14 -4.393 -0.911 -1.360 1.00 0.00 H ATOM 221 HA LYS A 14 -7.029 -2.141 -1.613 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.333 -3.634 -0.937 1.00 0.00 H ATOM 223 HB3 LYS A 14 -4.584 -2.437 0.118 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.617 -2.568 1.596 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.195 -3.902 0.596 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.069 -5.064 2.267 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.789 -4.887 1.067 1.00 0.00 H ATOM 228 HE2 LYS A 14 -3.674 -4.101 2.956 1.00 0.00 H ATOM 229 HE3 LYS A 14 -4.396 -2.581 2.390 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.882 -3.110 4.762 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.756 -4.467 4.236 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.264 -2.905 3.802 1.00 0.00 H ATOM 233 N PHE A 15 -6.443 0.274 0.412 1.00 0.00 N ATOM 234 CA PHE A 15 -7.105 1.177 1.374 1.00 0.00 C ATOM 235 C PHE A 15 -8.161 1.978 0.626 1.00 0.00 C ATOM 236 O PHE A 15 -9.217 2.288 1.143 1.00 0.00 O ATOM 237 CB PHE A 15 -5.996 2.081 1.910 1.00 0.00 C ATOM 238 CG PHE A 15 -6.462 2.816 3.148 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.739 2.585 3.682 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.604 3.733 3.767 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.151 3.271 4.832 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.017 4.418 4.916 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.291 4.188 5.448 1.00 0.00 C ATOM 244 H PHE A 15 -5.586 0.520 0.015 1.00 0.00 H ATOM 245 HA PHE A 15 -7.547 0.611 2.166 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.136 1.476 2.158 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.721 2.797 1.150 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.405 1.880 3.207 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.620 3.911 3.357 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.135 3.094 5.241 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.353 5.125 5.391 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.609 4.716 6.334 1.00 0.00 H ATOM 253 N LYS A 16 -7.886 2.283 -0.608 1.00 0.00 N ATOM 254 CA LYS A 16 -8.866 3.040 -1.422 1.00 0.00 C ATOM 255 C LYS A 16 -9.839 2.060 -2.072 1.00 0.00 C ATOM 256 O LYS A 16 -10.924 2.419 -2.487 1.00 0.00 O ATOM 257 CB LYS A 16 -8.037 3.767 -2.476 1.00 0.00 C ATOM 258 CG LYS A 16 -8.699 5.104 -2.817 1.00 0.00 C ATOM 259 CD LYS A 16 -7.791 5.899 -3.759 1.00 0.00 C ATOM 260 CE LYS A 16 -8.643 6.800 -4.656 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.835 8.054 -3.874 1.00 0.00 N ATOM 262 H LYS A 16 -7.040 1.992 -1.004 1.00 0.00 H ATOM 263 HA LYS A 16 -9.387 3.747 -0.812 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.045 3.946 -2.089 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.974 3.161 -3.365 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.648 4.922 -3.298 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.857 5.670 -1.911 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.114 6.508 -3.176 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.225 5.216 -4.372 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.120 7.008 -5.581 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.597 6.340 -4.857 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.919 8.374 -3.502 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -9.487 7.872 -3.083 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -9.233 8.789 -4.491 1.00 0.00 H ATOM 275 N GLU A 17 -9.456 0.816 -2.153 1.00 0.00 N ATOM 276 CA GLU A 17 -10.346 -0.203 -2.763 1.00 0.00 C ATOM 277 C GLU A 17 -11.042 -1.001 -1.665 1.00 0.00 C ATOM 278 O GLU A 17 -12.246 -1.155 -1.657 1.00 0.00 O ATOM 279 CB GLU A 17 -9.420 -1.099 -3.584 1.00 0.00 C ATOM 280 CG GLU A 17 -10.257 -2.022 -4.470 1.00 0.00 C ATOM 281 CD GLU A 17 -9.438 -3.262 -4.833 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.489 -3.551 -4.123 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.774 -3.902 -5.816 1.00 0.00 O ATOM 284 H GLU A 17 -8.584 0.550 -1.803 1.00 0.00 H ATOM 285 HA GLU A 17 -11.062 0.268 -3.398 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.784 -0.482 -4.203 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.812 -1.693 -2.919 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.147 -2.321 -3.936 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.536 -1.499 -5.372 1.00 0.00 H ATOM 290 N ALA A 18 -10.283 -1.500 -0.738 1.00 0.00 N ATOM 291 CA ALA A 18 -10.868 -2.280 0.381 1.00 0.00 C ATOM 292 C ALA A 18 -11.415 -1.326 1.442 1.00 0.00 C ATOM 293 O ALA A 18 -12.143 -1.720 2.332 1.00 0.00 O ATOM 294 CB ALA A 18 -9.697 -3.076 0.943 1.00 0.00 C ATOM 295 H ALA A 18 -9.322 -1.358 -0.774 1.00 0.00 H ATOM 296 HA ALA A 18 -11.634 -2.941 0.023 1.00 0.00 H ATOM 297 HB1 ALA A 18 -8.918 -3.137 0.199 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.027 -4.068 1.205 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.314 -2.577 1.821 1.00 0.00 H ATOM 300 N PHE A 19 -11.056 -0.070 1.351 1.00 0.00 N ATOM 301 CA PHE A 19 -11.535 0.937 2.352 1.00 0.00 C ATOM 302 C PHE A 19 -11.568 0.319 3.752 1.00 0.00 C ATOM 303 O PHE A 19 -12.558 0.405 4.450 1.00 0.00 O ATOM 304 CB PHE A 19 -12.946 1.347 1.902 1.00 0.00 C ATOM 305 CG PHE A 19 -13.772 0.117 1.605 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.447 -0.547 2.636 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.849 -0.366 0.295 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.195 -1.697 2.356 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.602 -1.514 0.013 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.273 -2.181 1.044 1.00 0.00 C ATOM 311 H PHE A 19 -10.459 0.210 0.624 1.00 0.00 H ATOM 312 HA PHE A 19 -10.886 1.799 2.345 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.421 1.917 2.687 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.875 1.955 1.012 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.389 -0.174 3.648 1.00 0.00 H ATOM 316 HD2 PHE A 19 -13.334 0.150 -0.500 1.00 0.00 H ATOM 317 HE1 PHE A 19 -15.716 -2.211 3.151 1.00 0.00 H ATOM 318 HE2 PHE A 19 -14.660 -1.887 -0.999 1.00 0.00 H ATOM 319 HZ PHE A 19 -15.849 -3.068 0.829 1.00 0.00 H HETATM 320 N NH2 A 20 -10.512 -0.306 4.197 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -10.518 -0.704 5.091 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -9.712 -0.376 3.635 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 33 HETATM 1 C ACE A 1 11.944 -1.427 -0.392 1.00 0.00 C HETATM 2 O ACE A 1 11.040 -0.619 -0.304 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.161 -1.357 0.517 1.00 0.00 C HETATM 4 H1 ACE A 1 13.231 -0.371 0.944 1.00 0.00 H HETATM 5 H2 ACE A 1 14.047 -1.574 -0.056 1.00 0.00 H HETATM 6 H3 ACE A 1 13.053 -2.087 1.307 1.00 0.00 H ATOM 7 N ASP A 2 11.893 -2.417 -1.234 1.00 0.00 N ATOM 8 CA ASP A 2 10.713 -2.575 -2.111 1.00 0.00 C ATOM 9 C ASP A 2 9.526 -2.982 -1.238 1.00 0.00 C ATOM 10 O ASP A 2 8.416 -3.121 -1.688 1.00 0.00 O ATOM 11 CB ASP A 2 11.082 -3.689 -3.087 1.00 0.00 C ATOM 12 CG ASP A 2 11.713 -3.085 -4.343 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.866 -2.694 -4.273 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.032 -3.024 -5.354 1.00 0.00 O ATOM 15 H ASP A 2 12.611 -3.072 -1.261 1.00 0.00 H ATOM 16 HA ASP A 2 10.508 -1.667 -2.639 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.785 -4.358 -2.616 1.00 0.00 H ATOM 18 HB3 ASP A 2 10.191 -4.232 -3.361 1.00 0.00 H ATOM 19 N TRP A 3 9.770 -3.187 0.020 1.00 0.00 N ATOM 20 CA TRP A 3 8.688 -3.588 0.942 1.00 0.00 C ATOM 21 C TRP A 3 8.164 -2.322 1.575 1.00 0.00 C ATOM 22 O TRP A 3 7.004 -2.188 1.899 1.00 0.00 O ATOM 23 CB TRP A 3 9.355 -4.545 1.937 1.00 0.00 C ATOM 24 CG TRP A 3 10.382 -5.295 1.163 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.217 -5.687 -0.116 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.712 -5.699 1.550 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.372 -6.262 -0.560 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.329 -6.325 0.442 1.00 0.00 C ATOM 29 CE3 TRP A 3 12.434 -5.583 2.740 1.00 0.00 C ATOM 30 CZ2 TRP A 3 13.631 -6.815 0.516 1.00 0.00 C ATOM 31 CZ3 TRP A 3 13.744 -6.079 2.827 1.00 0.00 C ATOM 32 CH2 TRP A 3 14.343 -6.695 1.716 1.00 0.00 C ATOM 33 H TRP A 3 10.669 -3.091 0.367 1.00 0.00 H ATOM 34 HA TRP A 3 7.926 -4.092 0.402 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.824 -3.983 2.734 1.00 0.00 H ATOM 36 HB3 TRP A 3 8.627 -5.229 2.341 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.331 -5.527 -0.709 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.505 -6.601 -1.462 1.00 0.00 H ATOM 39 HE3 TRP A 3 11.973 -5.108 3.595 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.086 -7.281 -0.342 1.00 0.00 H ATOM 41 HZ3 TRP A 3 14.291 -5.987 3.752 1.00 0.00 H ATOM 42 HH2 TRP A 3 15.351 -7.075 1.787 1.00 0.00 H ATOM 43 N PHE A 4 9.012 -1.349 1.674 1.00 0.00 N ATOM 44 CA PHE A 4 8.562 -0.058 2.202 1.00 0.00 C ATOM 45 C PHE A 4 7.797 0.645 1.083 1.00 0.00 C ATOM 46 O PHE A 4 6.733 1.195 1.284 1.00 0.00 O ATOM 47 CB PHE A 4 9.837 0.704 2.562 1.00 0.00 C ATOM 48 CG PHE A 4 10.472 0.070 3.777 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.827 0.136 5.019 1.00 0.00 C ATOM 50 CD2 PHE A 4 11.703 -0.587 3.663 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.414 -0.454 6.144 1.00 0.00 C ATOM 52 CE2 PHE A 4 12.289 -1.177 4.788 1.00 0.00 C ATOM 53 CZ PHE A 4 11.645 -1.111 6.030 1.00 0.00 C ATOM 54 H PHE A 4 9.929 -1.456 1.348 1.00 0.00 H ATOM 55 HA PHE A 4 7.949 -0.197 3.069 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.526 0.663 1.734 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.592 1.731 2.781 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.878 0.643 5.109 1.00 0.00 H ATOM 59 HD2 PHE A 4 12.201 -0.637 2.705 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.918 -0.403 7.102 1.00 0.00 H ATOM 61 HE2 PHE A 4 13.239 -1.683 4.699 1.00 0.00 H ATOM 62 HZ PHE A 4 12.098 -1.567 6.897 1.00 0.00 H ATOM 63 N LYS A 5 8.342 0.617 -0.108 1.00 0.00 N ATOM 64 CA LYS A 5 7.677 1.282 -1.258 1.00 0.00 C ATOM 65 C LYS A 5 6.768 0.336 -2.068 1.00 0.00 C ATOM 66 O LYS A 5 5.691 0.736 -2.470 1.00 0.00 O ATOM 67 CB LYS A 5 8.821 1.804 -2.133 1.00 0.00 C ATOM 68 CG LYS A 5 9.643 0.631 -2.672 1.00 0.00 C ATOM 69 CD LYS A 5 11.120 1.024 -2.731 1.00 0.00 C ATOM 70 CE LYS A 5 11.505 1.356 -4.175 1.00 0.00 C ATOM 71 NZ LYS A 5 12.684 2.259 -4.060 1.00 0.00 N ATOM 72 H LYS A 5 9.194 0.164 -0.237 1.00 0.00 H ATOM 73 HA LYS A 5 7.105 2.117 -0.900 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.410 2.365 -2.960 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.460 2.446 -1.545 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.524 -0.220 -2.021 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.301 0.378 -3.664 1.00 0.00 H ATOM 78 HD2 LYS A 5 11.289 1.889 -2.105 1.00 0.00 H ATOM 79 HD3 LYS A 5 11.725 0.201 -2.380 1.00 0.00 H ATOM 80 HE2 LYS A 5 11.770 0.454 -4.709 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.695 1.866 -4.673 1.00 0.00 H ATOM 82 HZ1 LYS A 5 12.360 3.237 -3.917 1.00 0.00 H ATOM 83 HZ2 LYS A 5 13.247 2.204 -4.933 1.00 0.00 H ATOM 84 HZ3 LYS A 5 13.268 1.967 -3.252 1.00 0.00 H ATOM 85 N ALA A 6 7.156 -0.894 -2.350 1.00 0.00 N ATOM 86 CA ALA A 6 6.238 -1.740 -3.166 1.00 0.00 C ATOM 87 C ALA A 6 5.092 -2.289 -2.320 1.00 0.00 C ATOM 88 O ALA A 6 4.037 -2.606 -2.835 1.00 0.00 O ATOM 89 CB ALA A 6 7.085 -2.866 -3.742 1.00 0.00 C ATOM 90 H ALA A 6 8.026 -1.250 -2.050 1.00 0.00 H ATOM 91 HA ALA A 6 5.843 -1.157 -3.972 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.973 -3.748 -3.133 1.00 0.00 H ATOM 93 HB2 ALA A 6 8.120 -2.562 -3.757 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.757 -3.078 -4.749 1.00 0.00 H ATOM 95 N PHE A 7 5.264 -2.403 -1.030 1.00 0.00 N ATOM 96 CA PHE A 7 4.146 -2.924 -0.207 1.00 0.00 C ATOM 97 C PHE A 7 3.345 -1.764 0.388 1.00 0.00 C ATOM 98 O PHE A 7 2.132 -1.820 0.456 1.00 0.00 O ATOM 99 CB PHE A 7 4.786 -3.786 0.874 1.00 0.00 C ATOM 100 CG PHE A 7 4.823 -5.223 0.415 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.883 -5.673 -0.383 1.00 0.00 C ATOM 102 CD2 PHE A 7 3.803 -6.107 0.786 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.922 -7.005 -0.810 1.00 0.00 C ATOM 104 CE2 PHE A 7 3.842 -7.440 0.359 1.00 0.00 C ATOM 105 CZ PHE A 7 4.901 -7.889 -0.439 1.00 0.00 C ATOM 106 H PHE A 7 6.109 -2.144 -0.609 1.00 0.00 H ATOM 107 HA PHE A 7 3.510 -3.528 -0.816 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.787 -3.449 1.050 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.210 -3.712 1.783 1.00 0.00 H ATOM 110 HD1 PHE A 7 6.671 -4.992 -0.668 1.00 0.00 H ATOM 111 HD2 PHE A 7 2.987 -5.761 1.401 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.739 -7.351 -1.426 1.00 0.00 H ATOM 113 HE2 PHE A 7 3.055 -8.121 0.644 1.00 0.00 H ATOM 114 HZ PHE A 7 4.931 -8.917 -0.768 1.00 0.00 H ATOM 115 N TYR A 8 3.989 -0.699 0.797 1.00 0.00 N ATOM 116 CA TYR A 8 3.211 0.442 1.347 1.00 0.00 C ATOM 117 C TYR A 8 2.302 0.995 0.249 1.00 0.00 C ATOM 118 O TYR A 8 1.205 1.458 0.503 1.00 0.00 O ATOM 119 CB TYR A 8 4.259 1.475 1.757 1.00 0.00 C ATOM 120 CG TYR A 8 3.598 2.646 2.449 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.799 2.434 3.579 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.795 3.946 1.964 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.195 3.522 4.223 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.192 5.032 2.610 1.00 0.00 C ATOM 125 CZ TYR A 8 2.393 4.821 3.738 1.00 0.00 C ATOM 126 OH TYR A 8 1.800 5.892 4.374 1.00 0.00 O ATOM 127 H TYR A 8 4.970 -0.639 0.726 1.00 0.00 H ATOM 128 HA TYR A 8 2.637 0.130 2.200 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.968 1.016 2.431 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.776 1.827 0.878 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.646 1.433 3.954 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.411 4.110 1.093 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.578 3.359 5.095 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.344 6.034 2.237 1.00 0.00 H ATOM 135 HH TYR A 8 1.428 5.577 5.201 1.00 0.00 H ATOM 136 N ASP A 9 2.746 0.931 -0.979 1.00 0.00 N ATOM 137 CA ASP A 9 1.910 1.437 -2.095 1.00 0.00 C ATOM 138 C ASP A 9 0.807 0.425 -2.413 1.00 0.00 C ATOM 139 O ASP A 9 -0.355 0.765 -2.502 1.00 0.00 O ATOM 140 CB ASP A 9 2.864 1.593 -3.277 1.00 0.00 C ATOM 141 CG ASP A 9 2.391 2.751 -4.159 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.251 3.158 -4.008 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.179 3.214 -4.968 1.00 0.00 O ATOM 144 H ASP A 9 3.625 0.541 -1.164 1.00 0.00 H ATOM 145 HA ASP A 9 1.489 2.389 -1.839 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.857 1.801 -2.909 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.871 0.683 -3.855 1.00 0.00 H ATOM 148 N LYS A 10 1.165 -0.820 -2.574 1.00 0.00 N ATOM 149 CA LYS A 10 0.139 -1.857 -2.878 1.00 0.00 C ATOM 150 C LYS A 10 -1.010 -1.777 -1.866 1.00 0.00 C ATOM 151 O LYS A 10 -2.165 -1.654 -2.229 1.00 0.00 O ATOM 152 CB LYS A 10 0.875 -3.188 -2.750 1.00 0.00 C ATOM 153 CG LYS A 10 0.356 -4.167 -3.806 1.00 0.00 C ATOM 154 CD LYS A 10 -0.391 -5.313 -3.119 1.00 0.00 C ATOM 155 CE LYS A 10 0.606 -6.389 -2.680 1.00 0.00 C ATOM 156 NZ LYS A 10 0.043 -6.943 -1.417 1.00 0.00 N ATOM 157 H LYS A 10 2.109 -1.074 -2.492 1.00 0.00 H ATOM 158 HA LYS A 10 -0.231 -1.739 -3.879 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.932 -3.026 -2.898 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.705 -3.599 -1.767 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.313 -3.650 -4.477 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.189 -4.567 -4.365 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.915 -4.932 -2.254 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.102 -5.744 -3.808 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.679 -7.162 -3.434 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.574 -5.950 -2.494 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.306 -7.944 -1.329 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.993 -6.857 -1.432 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.423 -6.415 -0.606 1.00 0.00 H ATOM 170 N VAL A 11 -0.708 -1.843 -0.597 1.00 0.00 N ATOM 171 CA VAL A 11 -1.793 -1.766 0.420 1.00 0.00 C ATOM 172 C VAL A 11 -2.638 -0.512 0.194 1.00 0.00 C ATOM 173 O VAL A 11 -3.848 -0.546 0.288 1.00 0.00 O ATOM 174 CB VAL A 11 -1.090 -1.706 1.779 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.508 -3.080 2.115 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.037 -0.672 1.740 1.00 0.00 C ATOM 177 H VAL A 11 0.227 -1.940 -0.315 1.00 0.00 H ATOM 178 HA VAL A 11 -2.413 -2.647 0.367 1.00 0.00 H ATOM 179 HB VAL A 11 -1.808 -1.429 2.538 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.486 -3.690 1.226 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.123 -3.558 2.864 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.495 -2.963 2.498 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.925 -1.092 2.189 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.262 0.207 2.290 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.247 -0.400 0.717 1.00 0.00 H ATOM 186 N ALA A 12 -2.015 0.597 -0.103 1.00 0.00 N ATOM 187 CA ALA A 12 -2.799 1.842 -0.332 1.00 0.00 C ATOM 188 C ALA A 12 -3.820 1.637 -1.444 1.00 0.00 C ATOM 189 O ALA A 12 -4.873 2.241 -1.447 1.00 0.00 O ATOM 190 CB ALA A 12 -1.777 2.897 -0.729 1.00 0.00 C ATOM 191 H ALA A 12 -1.036 0.612 -0.173 1.00 0.00 H ATOM 192 HA ALA A 12 -3.298 2.138 0.565 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.587 2.830 -1.789 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.861 2.732 -0.185 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.167 3.877 -0.493 1.00 0.00 H ATOM 196 N GLU A 13 -3.533 0.787 -2.383 1.00 0.00 N ATOM 197 CA GLU A 13 -4.514 0.558 -3.467 1.00 0.00 C ATOM 198 C GLU A 13 -5.670 -0.271 -2.926 1.00 0.00 C ATOM 199 O GLU A 13 -6.806 -0.142 -3.352 1.00 0.00 O ATOM 200 CB GLU A 13 -3.760 -0.203 -4.557 1.00 0.00 C ATOM 201 CG GLU A 13 -4.686 -0.420 -5.755 1.00 0.00 C ATOM 202 CD GLU A 13 -4.160 -1.577 -6.604 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.347 -2.333 -6.100 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.581 -1.689 -7.744 1.00 0.00 O ATOM 205 H GLU A 13 -2.687 0.297 -2.370 1.00 0.00 H ATOM 206 HA GLU A 13 -4.869 1.494 -3.842 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.897 0.368 -4.865 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.443 -1.160 -4.173 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.681 -0.652 -5.402 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.718 0.479 -6.353 1.00 0.00 H ATOM 211 N LYS A 14 -5.399 -1.105 -1.964 1.00 0.00 N ATOM 212 CA LYS A 14 -6.479 -1.913 -1.387 1.00 0.00 C ATOM 213 C LYS A 14 -7.220 -1.058 -0.378 1.00 0.00 C ATOM 214 O LYS A 14 -8.383 -1.241 -0.141 1.00 0.00 O ATOM 215 CB LYS A 14 -5.785 -3.127 -0.741 1.00 0.00 C ATOM 216 CG LYS A 14 -5.510 -2.877 0.748 1.00 0.00 C ATOM 217 CD LYS A 14 -6.651 -3.464 1.582 1.00 0.00 C ATOM 218 CE LYS A 14 -6.255 -4.858 2.073 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.457 -5.367 2.789 1.00 0.00 N ATOM 220 H LYS A 14 -4.497 -1.176 -1.607 1.00 0.00 H ATOM 221 HA LYS A 14 -7.147 -2.236 -2.163 1.00 0.00 H ATOM 222 HB2 LYS A 14 -6.420 -3.994 -0.842 1.00 0.00 H ATOM 223 HB3 LYS A 14 -4.850 -3.312 -1.247 1.00 0.00 H ATOM 224 HG2 LYS A 14 -4.580 -3.351 1.027 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.441 -1.817 0.931 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.844 -2.823 2.430 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.540 -3.537 0.976 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.015 -5.496 1.234 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.419 -4.795 2.751 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.312 -6.363 3.045 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -8.290 -5.284 2.171 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.608 -4.808 3.653 1.00 0.00 H ATOM 233 N PHE A 15 -6.553 -0.099 0.201 1.00 0.00 N ATOM 234 CA PHE A 15 -7.240 0.776 1.180 1.00 0.00 C ATOM 235 C PHE A 15 -8.178 1.708 0.431 1.00 0.00 C ATOM 236 O PHE A 15 -9.216 2.099 0.926 1.00 0.00 O ATOM 237 CB PHE A 15 -6.132 1.555 1.888 1.00 0.00 C ATOM 238 CG PHE A 15 -6.744 2.627 2.760 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.338 2.283 3.982 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.715 3.964 2.349 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.903 3.277 4.790 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.282 4.958 3.156 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.875 4.614 4.378 1.00 0.00 C ATOM 244 H PHE A 15 -5.612 0.056 -0.025 1.00 0.00 H ATOM 245 HA PHE A 15 -7.789 0.180 1.881 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.554 0.879 2.502 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.487 2.016 1.154 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.359 1.252 4.300 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.258 4.229 1.407 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.361 3.011 5.731 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.259 5.989 2.838 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.311 5.381 5.000 1.00 0.00 H ATOM 253 N LYS A 16 -7.828 2.048 -0.774 1.00 0.00 N ATOM 254 CA LYS A 16 -8.712 2.931 -1.569 1.00 0.00 C ATOM 255 C LYS A 16 -9.906 2.118 -2.065 1.00 0.00 C ATOM 256 O LYS A 16 -10.988 2.636 -2.257 1.00 0.00 O ATOM 257 CB LYS A 16 -7.858 3.413 -2.743 1.00 0.00 C ATOM 258 CG LYS A 16 -8.743 4.147 -3.755 1.00 0.00 C ATOM 259 CD LYS A 16 -8.799 5.635 -3.406 1.00 0.00 C ATOM 260 CE LYS A 16 -9.876 6.318 -4.251 1.00 0.00 C ATOM 261 NZ LYS A 16 -10.742 7.028 -3.270 1.00 0.00 N ATOM 262 H LYS A 16 -6.994 1.706 -1.159 1.00 0.00 H ATOM 263 HA LYS A 16 -9.036 3.766 -0.976 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.091 4.083 -2.379 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.394 2.564 -3.224 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.334 4.025 -4.747 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.741 3.737 -3.727 1.00 0.00 H ATOM 268 HD2 LYS A 16 -9.035 5.749 -2.357 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.840 6.088 -3.612 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.424 7.022 -4.936 1.00 0.00 H ATOM 271 HE3 LYS A 16 -10.454 5.585 -4.791 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -10.159 7.385 -2.488 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -11.458 6.370 -2.899 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -11.215 7.827 -3.739 1.00 0.00 H ATOM 275 N GLU A 17 -9.716 0.841 -2.275 1.00 0.00 N ATOM 276 CA GLU A 17 -10.837 -0.007 -2.757 1.00 0.00 C ATOM 277 C GLU A 17 -11.442 -0.817 -1.606 1.00 0.00 C ATOM 278 O GLU A 17 -12.488 -1.421 -1.740 1.00 0.00 O ATOM 279 CB GLU A 17 -10.221 -0.931 -3.804 1.00 0.00 C ATOM 280 CG GLU A 17 -10.476 -0.362 -5.202 1.00 0.00 C ATOM 281 CD GLU A 17 -11.979 -0.160 -5.404 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.710 -1.131 -5.287 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.375 0.962 -5.670 1.00 0.00 O ATOM 284 H GLU A 17 -8.835 0.441 -2.113 1.00 0.00 H ATOM 285 HA GLU A 17 -11.583 0.606 -3.211 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.159 -1.006 -3.634 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.672 -1.908 -3.729 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.969 0.588 -5.301 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.104 -1.050 -5.947 1.00 0.00 H ATOM 290 N ALA A 18 -10.792 -0.833 -0.477 1.00 0.00 N ATOM 291 CA ALA A 18 -11.317 -1.598 0.684 1.00 0.00 C ATOM 292 C ALA A 18 -12.022 -0.648 1.649 1.00 0.00 C ATOM 293 O ALA A 18 -12.784 -1.055 2.503 1.00 0.00 O ATOM 294 CB ALA A 18 -10.079 -2.207 1.342 1.00 0.00 C ATOM 295 H ALA A 18 -9.960 -0.339 -0.392 1.00 0.00 H ATOM 296 HA ALA A 18 -11.980 -2.371 0.352 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.420 -1.412 1.669 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.558 -2.826 0.624 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.371 -2.803 2.189 1.00 0.00 H ATOM 300 N PHE A 19 -11.765 0.621 1.511 1.00 0.00 N ATOM 301 CA PHE A 19 -12.404 1.619 2.406 1.00 0.00 C ATOM 302 C PHE A 19 -12.920 2.810 1.593 1.00 0.00 C ATOM 303 O PHE A 19 -14.074 3.177 1.690 1.00 0.00 O ATOM 304 CB PHE A 19 -11.295 2.056 3.359 1.00 0.00 C ATOM 305 CG PHE A 19 -11.073 0.989 4.404 1.00 0.00 C ATOM 306 CD1 PHE A 19 -10.186 -0.066 4.152 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.753 1.053 5.627 1.00 0.00 C ATOM 308 CE1 PHE A 19 -9.979 -1.054 5.122 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.546 0.064 6.596 1.00 0.00 C ATOM 310 CZ PHE A 19 -10.659 -0.989 6.344 1.00 0.00 C ATOM 311 H PHE A 19 -11.149 0.915 0.817 1.00 0.00 H ATOM 312 HA PHE A 19 -13.200 1.163 2.956 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.384 2.209 2.800 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.582 2.978 3.843 1.00 0.00 H ATOM 315 HD1 PHE A 19 -9.662 -0.115 3.209 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.437 1.865 5.822 1.00 0.00 H ATOM 317 HE1 PHE A 19 -9.295 -1.867 4.926 1.00 0.00 H ATOM 318 HE2 PHE A 19 -12.070 0.114 7.539 1.00 0.00 H ATOM 319 HZ PHE A 19 -10.499 -1.752 7.091 1.00 0.00 H HETATM 320 N NH2 A 20 -12.106 3.433 0.786 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.427 4.195 0.260 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.175 3.139 0.706 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 34 HETATM 1 C ACE A 1 12.423 -1.078 -0.991 1.00 0.00 C HETATM 2 O ACE A 1 11.430 -0.409 -0.768 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.540 -1.202 0.034 1.00 0.00 C HETATM 4 H1 ACE A 1 13.109 -1.307 1.019 1.00 0.00 H HETATM 5 H2 ACE A 1 14.159 -0.320 0.001 1.00 0.00 H HETATM 6 H3 ACE A 1 14.136 -2.074 -0.193 1.00 0.00 H ATOM 7 N ASP A 2 12.547 -1.753 -2.094 1.00 0.00 N ATOM 8 CA ASP A 2 11.467 -1.704 -3.088 1.00 0.00 C ATOM 9 C ASP A 2 10.280 -2.349 -2.417 1.00 0.00 C ATOM 10 O ASP A 2 9.157 -1.938 -2.578 1.00 0.00 O ATOM 11 CB ASP A 2 11.959 -2.532 -4.272 1.00 0.00 C ATOM 12 CG ASP A 2 11.350 -1.986 -5.566 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.215 -0.778 -5.670 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.032 -2.785 -6.431 1.00 0.00 O ATOM 15 H ASP A 2 13.317 -2.318 -2.241 1.00 0.00 H ATOM 16 HA ASP A 2 11.255 -0.695 -3.383 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.035 -2.471 -4.326 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.659 -3.558 -4.142 1.00 0.00 H ATOM 19 N TRP A 3 10.565 -3.345 -1.620 1.00 0.00 N ATOM 20 CA TRP A 3 9.509 -4.048 -0.864 1.00 0.00 C ATOM 21 C TRP A 3 8.942 -3.105 0.218 1.00 0.00 C ATOM 22 O TRP A 3 7.917 -3.367 0.809 1.00 0.00 O ATOM 23 CB TRP A 3 10.228 -5.248 -0.215 1.00 0.00 C ATOM 24 CG TRP A 3 10.867 -4.774 1.043 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.557 -3.626 1.139 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.876 -5.375 2.369 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.937 -3.438 2.437 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.571 -4.503 3.240 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.352 -6.567 2.899 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.740 -4.802 4.593 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.525 -6.875 4.260 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.217 -5.994 5.104 1.00 0.00 C ATOM 33 H TRP A 3 11.496 -3.612 -1.503 1.00 0.00 H ATOM 34 HA TRP A 3 8.746 -4.389 -1.522 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.512 -6.025 0.009 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.983 -5.628 -0.885 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.741 -2.937 0.331 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.419 -2.658 2.759 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.816 -7.251 2.257 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.273 -4.120 5.238 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.123 -7.795 4.656 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.347 -6.237 6.148 1.00 0.00 H ATOM 43 N PHE A 4 9.633 -2.016 0.478 1.00 0.00 N ATOM 44 CA PHE A 4 9.190 -1.053 1.518 1.00 0.00 C ATOM 45 C PHE A 4 8.124 -0.169 0.919 1.00 0.00 C ATOM 46 O PHE A 4 6.976 -0.191 1.316 1.00 0.00 O ATOM 47 CB PHE A 4 10.441 -0.241 1.857 1.00 0.00 C ATOM 48 CG PHE A 4 10.176 0.635 3.057 1.00 0.00 C ATOM 49 CD1 PHE A 4 10.246 0.096 4.346 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.863 1.989 2.880 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.001 0.909 5.460 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.618 2.803 3.993 1.00 0.00 C ATOM 53 CZ PHE A 4 9.686 2.262 5.284 1.00 0.00 C ATOM 54 H PHE A 4 10.451 -1.836 -0.013 1.00 0.00 H ATOM 55 HA PHE A 4 8.830 -1.567 2.386 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.255 -0.916 2.078 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.706 0.378 1.015 1.00 0.00 H ATOM 58 HD1 PHE A 4 10.488 -0.948 4.482 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.812 2.406 1.884 1.00 0.00 H ATOM 60 HE1 PHE A 4 10.054 0.492 6.455 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.378 3.846 3.856 1.00 0.00 H ATOM 62 HZ PHE A 4 9.497 2.889 6.142 1.00 0.00 H ATOM 63 N LYS A 5 8.486 0.572 -0.080 1.00 0.00 N ATOM 64 CA LYS A 5 7.478 1.412 -0.750 1.00 0.00 C ATOM 65 C LYS A 5 6.514 0.475 -1.474 1.00 0.00 C ATOM 66 O LYS A 5 5.466 0.874 -1.943 1.00 0.00 O ATOM 67 CB LYS A 5 8.252 2.281 -1.737 1.00 0.00 C ATOM 68 CG LYS A 5 8.846 3.483 -0.997 1.00 0.00 C ATOM 69 CD LYS A 5 9.118 4.616 -1.989 1.00 0.00 C ATOM 70 CE LYS A 5 10.382 4.301 -2.793 1.00 0.00 C ATOM 71 NZ LYS A 5 11.476 4.199 -1.783 1.00 0.00 N ATOM 72 H LYS A 5 9.409 0.538 -0.411 1.00 0.00 H ATOM 73 HA LYS A 5 6.960 2.023 -0.037 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.046 1.701 -2.180 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.583 2.631 -2.508 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.148 3.822 -0.246 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.772 3.193 -0.522 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.277 4.715 -2.662 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.257 5.541 -1.449 1.00 0.00 H ATOM 80 HE2 LYS A 5 10.265 3.365 -3.321 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.594 5.101 -3.487 1.00 0.00 H ATOM 82 HZ1 LYS A 5 11.776 3.206 -1.697 1.00 0.00 H ATOM 83 HZ2 LYS A 5 11.136 4.540 -0.861 1.00 0.00 H ATOM 84 HZ3 LYS A 5 12.285 4.775 -2.090 1.00 0.00 H ATOM 85 N ALA A 6 6.872 -0.787 -1.561 1.00 0.00 N ATOM 86 CA ALA A 6 5.992 -1.769 -2.245 1.00 0.00 C ATOM 87 C ALA A 6 4.858 -2.206 -1.319 1.00 0.00 C ATOM 88 O ALA A 6 3.747 -2.430 -1.753 1.00 0.00 O ATOM 89 CB ALA A 6 6.903 -2.940 -2.565 1.00 0.00 C ATOM 90 H ALA A 6 7.726 -1.090 -1.169 1.00 0.00 H ATOM 91 HA ALA A 6 5.605 -1.355 -3.152 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.319 -3.836 -2.677 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.606 -3.063 -1.759 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.440 -2.737 -3.482 1.00 0.00 H ATOM 95 N PHE A 7 5.126 -2.334 -0.048 1.00 0.00 N ATOM 96 CA PHE A 7 4.051 -2.757 0.885 1.00 0.00 C ATOM 97 C PHE A 7 3.183 -1.558 1.255 1.00 0.00 C ATOM 98 O PHE A 7 1.982 -1.670 1.405 1.00 0.00 O ATOM 99 CB PHE A 7 4.766 -3.348 2.111 1.00 0.00 C ATOM 100 CG PHE A 7 5.250 -2.251 3.039 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.330 -1.483 3.765 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.622 -2.008 3.181 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.779 -0.475 4.626 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.070 -1.002 4.043 1.00 0.00 C ATOM 105 CZ PHE A 7 6.149 -0.235 4.764 1.00 0.00 C ATOM 106 H PHE A 7 6.024 -2.157 0.289 1.00 0.00 H ATOM 107 HA PHE A 7 3.449 -3.506 0.416 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.081 -3.987 2.648 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.611 -3.933 1.781 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.275 -1.669 3.659 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.335 -2.599 2.627 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.068 0.117 5.184 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.126 -0.817 4.151 1.00 0.00 H ATOM 114 HZ PHE A 7 6.497 0.541 5.430 1.00 0.00 H ATOM 115 N TYR A 8 3.777 -0.409 1.390 1.00 0.00 N ATOM 116 CA TYR A 8 2.985 0.797 1.732 1.00 0.00 C ATOM 117 C TYR A 8 2.071 1.153 0.560 1.00 0.00 C ATOM 118 O TYR A 8 0.989 1.676 0.733 1.00 0.00 O ATOM 119 CB TYR A 8 4.020 1.894 1.966 1.00 0.00 C ATOM 120 CG TYR A 8 3.402 3.018 2.763 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.304 3.716 2.249 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.925 3.360 4.017 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.726 4.756 2.988 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.349 4.401 4.755 1.00 0.00 C ATOM 125 CZ TYR A 8 2.249 5.098 4.241 1.00 0.00 C ATOM 126 OH TYR A 8 1.678 6.120 4.969 1.00 0.00 O ATOM 127 H TYR A 8 4.742 -0.337 1.256 1.00 0.00 H ATOM 128 HA TYR A 8 2.414 0.630 2.625 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.857 1.484 2.512 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.362 2.273 1.015 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.902 3.456 1.283 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.774 2.823 4.412 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.878 5.294 2.592 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.752 4.666 5.722 1.00 0.00 H ATOM 135 HH TYR A 8 0.724 6.017 4.929 1.00 0.00 H ATOM 136 N ASP A 9 2.501 0.864 -0.638 1.00 0.00 N ATOM 137 CA ASP A 9 1.665 1.183 -1.823 1.00 0.00 C ATOM 138 C ASP A 9 0.523 0.174 -1.962 1.00 0.00 C ATOM 139 O ASP A 9 -0.631 0.539 -2.038 1.00 0.00 O ATOM 140 CB ASP A 9 2.610 1.096 -3.015 1.00 0.00 C ATOM 141 CG ASP A 9 2.889 2.504 -3.550 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.934 3.224 -3.789 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.051 2.837 -3.708 1.00 0.00 O ATOM 144 H ASP A 9 3.372 0.434 -0.756 1.00 0.00 H ATOM 145 HA ASP A 9 1.278 2.178 -1.742 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.535 0.638 -2.705 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.153 0.504 -3.792 1.00 0.00 H ATOM 148 N LYS A 10 0.836 -1.091 -2.001 1.00 0.00 N ATOM 149 CA LYS A 10 -0.233 -2.116 -2.139 1.00 0.00 C ATOM 150 C LYS A 10 -1.264 -1.971 -1.016 1.00 0.00 C ATOM 151 O LYS A 10 -2.455 -1.990 -1.252 1.00 0.00 O ATOM 152 CB LYS A 10 0.484 -3.465 -2.053 1.00 0.00 C ATOM 153 CG LYS A 10 1.170 -3.617 -0.693 1.00 0.00 C ATOM 154 CD LYS A 10 1.945 -4.938 -0.662 1.00 0.00 C ATOM 155 CE LYS A 10 0.974 -6.108 -0.832 1.00 0.00 C ATOM 156 NZ LYS A 10 0.140 -6.092 0.401 1.00 0.00 N ATOM 157 H LYS A 10 1.772 -1.365 -1.942 1.00 0.00 H ATOM 158 HA LYS A 10 -0.714 -2.021 -3.099 1.00 0.00 H ATOM 159 HB2 LYS A 10 -0.236 -4.258 -2.179 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.226 -3.525 -2.834 1.00 0.00 H ATOM 161 HG2 LYS A 10 1.852 -2.793 -0.539 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.426 -3.623 0.088 1.00 0.00 H ATOM 163 HD2 LYS A 10 2.669 -4.950 -1.462 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.453 -5.034 0.286 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.358 -5.960 -1.708 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.514 -7.039 -0.900 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.758 -6.063 1.237 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.449 -6.949 0.434 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.470 -5.250 0.396 1.00 0.00 H ATOM 170 N VAL A 11 -0.820 -1.827 0.202 1.00 0.00 N ATOM 171 CA VAL A 11 -1.792 -1.685 1.325 1.00 0.00 C ATOM 172 C VAL A 11 -2.735 -0.506 1.060 1.00 0.00 C ATOM 173 O VAL A 11 -3.943 -0.631 1.151 1.00 0.00 O ATOM 174 CB VAL A 11 -0.948 -1.436 2.578 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.136 -2.692 2.907 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.006 -0.261 2.342 1.00 0.00 C ATOM 177 H VAL A 11 0.143 -1.815 0.377 1.00 0.00 H ATOM 178 HA VAL A 11 -2.358 -2.594 1.442 1.00 0.00 H ATOM 179 HB VAL A 11 -1.601 -1.208 3.409 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.031 -3.295 2.018 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.647 -3.260 3.670 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.841 -2.405 3.265 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.886 -0.385 2.954 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.490 0.661 2.607 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.290 -0.230 1.302 1.00 0.00 H ATOM 186 N ALA A 12 -2.199 0.634 0.724 1.00 0.00 N ATOM 187 CA ALA A 12 -3.070 1.807 0.451 1.00 0.00 C ATOM 188 C ALA A 12 -3.906 1.557 -0.796 1.00 0.00 C ATOM 189 O ALA A 12 -4.918 2.189 -1.018 1.00 0.00 O ATOM 190 CB ALA A 12 -2.117 2.967 0.227 1.00 0.00 C ATOM 191 H ALA A 12 -1.228 0.719 0.648 1.00 0.00 H ATOM 192 HA ALA A 12 -3.700 2.007 1.289 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.499 2.761 -0.633 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.493 3.089 1.100 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.685 3.868 0.059 1.00 0.00 H ATOM 196 N GLU A 13 -3.490 0.637 -1.611 1.00 0.00 N ATOM 197 CA GLU A 13 -4.261 0.339 -2.840 1.00 0.00 C ATOM 198 C GLU A 13 -5.496 -0.477 -2.479 1.00 0.00 C ATOM 199 O GLU A 13 -6.539 -0.362 -3.100 1.00 0.00 O ATOM 200 CB GLU A 13 -3.312 -0.467 -3.725 1.00 0.00 C ATOM 201 CG GLU A 13 -3.963 -0.708 -5.088 1.00 0.00 C ATOM 202 CD GLU A 13 -4.944 -1.878 -4.985 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.885 -2.590 -3.996 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.738 -2.040 -5.897 1.00 0.00 O ATOM 205 H GLU A 13 -2.674 0.143 -1.414 1.00 0.00 H ATOM 206 HA GLU A 13 -4.541 1.249 -3.326 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.391 0.081 -3.858 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.102 -1.415 -3.255 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.494 0.183 -5.394 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.201 -0.943 -5.814 1.00 0.00 H ATOM 211 N LYS A 14 -5.403 -1.277 -1.457 1.00 0.00 N ATOM 212 CA LYS A 14 -6.569 -2.064 -1.047 1.00 0.00 C ATOM 213 C LYS A 14 -7.445 -1.173 -0.203 1.00 0.00 C ATOM 214 O LYS A 14 -8.630 -1.338 -0.149 1.00 0.00 O ATOM 215 CB LYS A 14 -6.019 -3.231 -0.232 1.00 0.00 C ATOM 216 CG LYS A 14 -6.617 -4.543 -0.748 1.00 0.00 C ATOM 217 CD LYS A 14 -6.328 -5.667 0.249 1.00 0.00 C ATOM 218 CE LYS A 14 -7.621 -6.056 0.972 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.174 -6.763 2.205 1.00 0.00 N ATOM 220 H LYS A 14 -4.583 -1.333 -0.943 1.00 0.00 H ATOM 221 HA LYS A 14 -7.098 -2.422 -1.903 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.944 -3.261 -0.330 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.287 -3.100 0.805 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.686 -4.430 -0.866 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.176 -4.787 -1.702 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.941 -6.524 -0.281 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.600 -5.331 0.971 1.00 0.00 H ATOM 228 HE2 LYS A 14 -8.188 -5.170 1.226 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.211 -6.719 0.358 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.154 -7.788 2.029 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.835 -6.556 2.982 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.221 -6.440 2.464 1.00 0.00 H ATOM 233 N PHE A 15 -6.859 -0.204 0.438 1.00 0.00 N ATOM 234 CA PHE A 15 -7.669 0.719 1.267 1.00 0.00 C ATOM 235 C PHE A 15 -8.374 1.725 0.366 1.00 0.00 C ATOM 236 O PHE A 15 -9.431 2.236 0.685 1.00 0.00 O ATOM 237 CB PHE A 15 -6.669 1.415 2.186 1.00 0.00 C ATOM 238 CG PHE A 15 -6.897 0.974 3.613 1.00 0.00 C ATOM 239 CD1 PHE A 15 -8.135 1.199 4.225 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.868 0.343 4.324 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.345 0.793 5.549 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.078 -0.062 5.647 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.317 0.163 6.260 1.00 0.00 C ATOM 244 H PHE A 15 -5.891 -0.073 0.358 1.00 0.00 H ATOM 245 HA PHE A 15 -8.378 0.169 1.842 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.667 1.155 1.884 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.803 2.483 2.114 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.929 1.685 3.677 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.912 0.170 3.851 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.300 0.967 6.022 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.284 -0.549 6.197 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.479 -0.149 7.281 1.00 0.00 H ATOM 253 N LYS A 16 -7.804 1.994 -0.773 1.00 0.00 N ATOM 254 CA LYS A 16 -8.437 2.946 -1.712 1.00 0.00 C ATOM 255 C LYS A 16 -9.567 2.238 -2.451 1.00 0.00 C ATOM 256 O LYS A 16 -10.537 2.846 -2.860 1.00 0.00 O ATOM 257 CB LYS A 16 -7.326 3.360 -2.675 1.00 0.00 C ATOM 258 CG LYS A 16 -7.596 4.774 -3.195 1.00 0.00 C ATOM 259 CD LYS A 16 -7.635 5.752 -2.018 1.00 0.00 C ATOM 260 CE LYS A 16 -7.522 7.189 -2.538 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.081 7.554 -2.389 1.00 0.00 N ATOM 262 H LYS A 16 -6.967 1.555 -1.015 1.00 0.00 H ATOM 263 HA LYS A 16 -8.804 3.802 -1.183 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.379 3.342 -2.154 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.297 2.672 -3.505 1.00 0.00 H ATOM 266 HG2 LYS A 16 -6.810 5.061 -3.878 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.546 4.794 -3.709 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.568 5.636 -1.484 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.811 5.547 -1.351 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.816 7.234 -3.578 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.133 7.852 -1.946 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.548 6.742 -2.022 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.995 8.354 -1.728 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.696 7.827 -3.315 1.00 0.00 H ATOM 275 N GLU A 17 -9.450 0.948 -2.611 1.00 0.00 N ATOM 276 CA GLU A 17 -10.518 0.190 -3.311 1.00 0.00 C ATOM 277 C GLU A 17 -11.415 -0.521 -2.294 1.00 0.00 C ATOM 278 O GLU A 17 -12.537 -0.884 -2.583 1.00 0.00 O ATOM 279 CB GLU A 17 -9.786 -0.821 -4.191 1.00 0.00 C ATOM 280 CG GLU A 17 -9.059 -0.084 -5.317 1.00 0.00 C ATOM 281 CD GLU A 17 -10.070 0.336 -6.386 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.171 0.711 -6.018 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.725 0.276 -7.554 1.00 0.00 O ATOM 284 H GLU A 17 -8.664 0.478 -2.265 1.00 0.00 H ATOM 285 HA GLU A 17 -11.097 0.852 -3.917 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.070 -1.365 -3.593 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.501 -1.510 -4.616 1.00 0.00 H ATOM 288 HG2 GLU A 17 -8.571 0.793 -4.918 1.00 0.00 H ATOM 289 HG3 GLU A 17 -8.323 -0.738 -5.758 1.00 0.00 H ATOM 290 N ALA A 18 -10.925 -0.716 -1.101 1.00 0.00 N ATOM 291 CA ALA A 18 -11.738 -1.395 -0.059 1.00 0.00 C ATOM 292 C ALA A 18 -12.693 -0.389 0.583 1.00 0.00 C ATOM 293 O ALA A 18 -13.727 -0.745 1.112 1.00 0.00 O ATOM 294 CB ALA A 18 -10.723 -1.912 0.964 1.00 0.00 C ATOM 295 H ALA A 18 -10.026 -0.412 -0.891 1.00 0.00 H ATOM 296 HA ALA A 18 -12.282 -2.216 -0.488 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.101 -1.093 1.300 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.097 -2.666 0.501 1.00 0.00 H ATOM 299 HB3 ALA A 18 -11.238 -2.341 1.807 1.00 0.00 H ATOM 300 N PHE A 19 -12.354 0.872 0.535 1.00 0.00 N ATOM 301 CA PHE A 19 -13.237 1.903 1.135 1.00 0.00 C ATOM 302 C PHE A 19 -13.646 2.929 0.075 1.00 0.00 C ATOM 303 O PHE A 19 -13.223 4.067 0.114 1.00 0.00 O ATOM 304 CB PHE A 19 -12.403 2.561 2.230 1.00 0.00 C ATOM 305 CG PHE A 19 -12.760 1.960 3.570 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.815 0.569 3.722 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.038 2.793 4.661 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.149 0.011 4.961 1.00 0.00 C ATOM 309 CE2 PHE A 19 -13.371 2.235 5.901 1.00 0.00 C ATOM 310 CZ PHE A 19 -13.426 0.844 6.051 1.00 0.00 C ATOM 311 H PHE A 19 -11.523 1.139 0.102 1.00 0.00 H ATOM 312 HA PHE A 19 -14.100 1.441 1.563 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.356 2.395 2.028 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.605 3.620 2.245 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.601 -0.073 2.882 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.994 3.867 4.545 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.191 -1.061 5.077 1.00 0.00 H ATOM 318 HE2 PHE A 19 -13.586 2.877 6.743 1.00 0.00 H ATOM 319 HZ PHE A 19 -13.683 0.414 7.008 1.00 0.00 H HETATM 320 N NH2 A 20 -14.453 2.567 -0.884 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.716 3.213 -1.573 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.795 1.649 -0.916 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 35 HETATM 1 C ACE A 1 12.032 -1.090 -0.405 1.00 0.00 C HETATM 2 O ACE A 1 11.054 -0.369 -0.358 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.099 -1.050 0.677 1.00 0.00 C HETATM 4 H1 ACE A 1 13.031 -0.117 1.213 1.00 0.00 H HETATM 5 H2 ACE A 1 14.073 -1.142 0.225 1.00 0.00 H HETATM 6 H3 ACE A 1 12.940 -1.872 1.362 1.00 0.00 H ATOM 7 N ASP A 2 12.186 -1.960 -1.357 1.00 0.00 N ATOM 8 CA ASP A 2 11.160 -2.077 -2.399 1.00 0.00 C ATOM 9 C ASP A 2 9.943 -2.651 -1.714 1.00 0.00 C ATOM 10 O ASP A 2 8.826 -2.351 -2.054 1.00 0.00 O ATOM 11 CB ASP A 2 11.730 -3.054 -3.429 1.00 0.00 C ATOM 12 CG ASP A 2 12.090 -4.372 -2.740 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.033 -4.374 -1.966 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.417 -5.355 -2.998 1.00 0.00 O ATOM 15 H ASP A 2 12.946 -2.559 -1.358 1.00 0.00 H ATOM 16 HA ASP A 2 10.949 -1.120 -2.846 1.00 0.00 H ATOM 17 HB2 ASP A 2 10.993 -3.237 -4.197 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.617 -2.630 -3.875 1.00 0.00 H ATOM 19 N TRP A 3 10.185 -3.459 -0.713 1.00 0.00 N ATOM 20 CA TRP A 3 9.083 -4.068 0.065 1.00 0.00 C ATOM 21 C TRP A 3 8.314 -2.970 0.819 1.00 0.00 C ATOM 22 O TRP A 3 7.182 -3.151 1.219 1.00 0.00 O ATOM 23 CB TRP A 3 9.773 -5.032 1.046 1.00 0.00 C ATOM 24 CG TRP A 3 10.299 -4.244 2.197 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.981 -3.093 2.076 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.193 -4.511 3.624 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.258 -2.600 3.320 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.817 -3.449 4.320 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.620 -5.552 4.374 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.870 -3.419 5.714 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.675 -5.529 5.777 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.298 -4.466 6.446 1.00 0.00 C ATOM 33 H TRP A 3 11.109 -3.649 -0.464 1.00 0.00 H ATOM 34 HA TRP A 3 8.437 -4.610 -0.585 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.060 -5.761 1.401 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.589 -5.535 0.549 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.236 -2.614 1.149 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.720 -1.762 3.488 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.137 -6.374 3.868 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.351 -2.598 6.225 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.234 -6.336 6.343 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.338 -4.455 7.526 1.00 0.00 H ATOM 43 N PHE A 4 8.931 -1.828 1.003 1.00 0.00 N ATOM 44 CA PHE A 4 8.260 -0.713 1.717 1.00 0.00 C ATOM 45 C PHE A 4 7.401 0.022 0.714 1.00 0.00 C ATOM 46 O PHE A 4 6.190 0.053 0.814 1.00 0.00 O ATOM 47 CB PHE A 4 9.385 0.177 2.233 1.00 0.00 C ATOM 48 CG PHE A 4 9.110 0.549 3.669 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.748 -0.440 4.590 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.215 1.884 4.081 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.491 -0.097 5.923 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.957 2.228 5.413 1.00 0.00 C ATOM 53 CZ PHE A 4 8.595 1.237 6.334 1.00 0.00 C ATOM 54 H PHE A 4 9.830 -1.701 0.657 1.00 0.00 H ATOM 55 HA PHE A 4 7.674 -1.085 2.531 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.320 -0.358 2.171 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.437 1.071 1.632 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.667 -1.470 4.274 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.494 2.649 3.371 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.212 -0.861 6.633 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.038 3.257 5.732 1.00 0.00 H ATOM 62 HZ PHE A 4 8.397 1.502 7.362 1.00 0.00 H ATOM 63 N LYS A 5 8.016 0.557 -0.299 1.00 0.00 N ATOM 64 CA LYS A 5 7.217 1.214 -1.349 1.00 0.00 C ATOM 65 C LYS A 5 6.276 0.140 -1.897 1.00 0.00 C ATOM 66 O LYS A 5 5.265 0.426 -2.509 1.00 0.00 O ATOM 67 CB LYS A 5 8.241 1.699 -2.396 1.00 0.00 C ATOM 68 CG LYS A 5 7.823 1.277 -3.811 1.00 0.00 C ATOM 69 CD LYS A 5 6.521 1.984 -4.194 1.00 0.00 C ATOM 70 CE LYS A 5 6.815 3.064 -5.238 1.00 0.00 C ATOM 71 NZ LYS A 5 5.724 2.933 -6.243 1.00 0.00 N ATOM 72 H LYS A 5 8.988 0.474 -0.391 1.00 0.00 H ATOM 73 HA LYS A 5 6.661 2.042 -0.943 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.306 2.777 -2.353 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.209 1.277 -2.169 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.601 1.549 -4.512 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.671 0.210 -3.838 1.00 0.00 H ATOM 78 HD2 LYS A 5 5.828 1.264 -4.604 1.00 0.00 H ATOM 79 HD3 LYS A 5 6.090 2.442 -3.317 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.794 4.043 -4.780 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.771 2.886 -5.705 1.00 0.00 H ATOM 82 HZ1 LYS A 5 5.960 3.496 -7.085 1.00 0.00 H ATOM 83 HZ2 LYS A 5 4.832 3.280 -5.832 1.00 0.00 H ATOM 84 HZ3 LYS A 5 5.617 1.936 -6.514 1.00 0.00 H ATOM 85 N ALA A 6 6.607 -1.109 -1.651 1.00 0.00 N ATOM 86 CA ALA A 6 5.741 -2.216 -2.122 1.00 0.00 C ATOM 87 C ALA A 6 4.561 -2.378 -1.165 1.00 0.00 C ATOM 88 O ALA A 6 3.528 -2.912 -1.518 1.00 0.00 O ATOM 89 CB ALA A 6 6.632 -3.448 -2.096 1.00 0.00 C ATOM 90 H ALA A 6 7.424 -1.316 -1.137 1.00 0.00 H ATOM 91 HA ALA A 6 5.405 -2.030 -3.119 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.280 -3.439 -2.962 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.025 -4.338 -2.108 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.233 -3.429 -1.204 1.00 0.00 H ATOM 95 N PHE A 7 4.707 -1.909 0.046 1.00 0.00 N ATOM 96 CA PHE A 7 3.601 -2.020 1.027 1.00 0.00 C ATOM 97 C PHE A 7 2.599 -0.898 0.785 1.00 0.00 C ATOM 98 O PHE A 7 1.429 -1.130 0.567 1.00 0.00 O ATOM 99 CB PHE A 7 4.255 -1.855 2.399 1.00 0.00 C ATOM 100 CG PHE A 7 4.808 -3.178 2.878 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.077 -4.357 2.693 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.056 -3.223 3.515 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.590 -5.579 3.142 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.569 -4.446 3.964 1.00 0.00 C ATOM 105 CZ PHE A 7 5.837 -5.623 3.777 1.00 0.00 C ATOM 106 H PHE A 7 5.542 -1.476 0.306 1.00 0.00 H ATOM 107 HA PHE A 7 3.129 -2.973 0.951 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.058 -1.138 2.326 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.518 -1.501 3.103 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.115 -4.326 2.205 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.623 -2.316 3.659 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.027 -6.489 2.998 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.531 -4.480 4.454 1.00 0.00 H ATOM 114 HZ PHE A 7 6.233 -6.567 4.123 1.00 0.00 H ATOM 115 N TYR A 8 3.056 0.320 0.816 1.00 0.00 N ATOM 116 CA TYR A 8 2.136 1.462 0.580 1.00 0.00 C ATOM 117 C TYR A 8 1.546 1.366 -0.825 1.00 0.00 C ATOM 118 O TYR A 8 0.491 1.895 -1.108 1.00 0.00 O ATOM 119 CB TYR A 8 3.004 2.715 0.714 1.00 0.00 C ATOM 120 CG TYR A 8 3.349 2.958 2.167 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.078 1.980 3.135 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.945 4.167 2.545 1.00 0.00 C ATOM 123 CE1 TYR A 8 3.403 2.213 4.476 1.00 0.00 C ATOM 124 CE2 TYR A 8 4.270 4.399 3.887 1.00 0.00 C ATOM 125 CZ TYR A 8 3.998 3.422 4.852 1.00 0.00 C ATOM 126 OH TYR A 8 4.320 3.652 6.175 1.00 0.00 O ATOM 127 H TYR A 8 4.008 0.481 0.988 1.00 0.00 H ATOM 128 HA TYR A 8 1.355 1.475 1.318 1.00 0.00 H ATOM 129 HB2 TYR A 8 3.912 2.581 0.147 1.00 0.00 H ATOM 130 HB3 TYR A 8 2.462 3.565 0.328 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.618 1.047 2.846 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.155 4.922 1.801 1.00 0.00 H ATOM 133 HE1 TYR A 8 3.193 1.460 5.221 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.729 5.333 4.177 1.00 0.00 H ATOM 135 HH TYR A 8 4.198 2.830 6.656 1.00 0.00 H ATOM 136 N ASP A 9 2.226 0.694 -1.711 1.00 0.00 N ATOM 137 CA ASP A 9 1.709 0.565 -3.099 1.00 0.00 C ATOM 138 C ASP A 9 0.469 -0.335 -3.132 1.00 0.00 C ATOM 139 O ASP A 9 -0.621 0.101 -3.450 1.00 0.00 O ATOM 140 CB ASP A 9 2.852 -0.074 -3.888 1.00 0.00 C ATOM 141 CG ASP A 9 2.328 -0.552 -5.243 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.525 0.156 -5.831 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.734 -1.620 -5.671 1.00 0.00 O ATOM 144 H ASP A 9 3.077 0.277 -1.466 1.00 0.00 H ATOM 145 HA ASP A 9 1.483 1.535 -3.503 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.637 0.653 -4.040 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.242 -0.917 -3.339 1.00 0.00 H ATOM 148 N LYS A 10 0.630 -1.594 -2.821 1.00 0.00 N ATOM 149 CA LYS A 10 -0.529 -2.526 -2.854 1.00 0.00 C ATOM 150 C LYS A 10 -1.458 -2.309 -1.656 1.00 0.00 C ATOM 151 O LYS A 10 -2.660 -2.449 -1.764 1.00 0.00 O ATOM 152 CB LYS A 10 0.086 -3.921 -2.802 1.00 0.00 C ATOM 153 CG LYS A 10 -0.597 -4.821 -3.833 1.00 0.00 C ATOM 154 CD LYS A 10 -0.947 -6.163 -3.186 1.00 0.00 C ATOM 155 CE LYS A 10 0.317 -6.792 -2.596 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.159 -8.014 -1.890 1.00 0.00 N ATOM 157 H LYS A 10 1.516 -1.928 -2.580 1.00 0.00 H ATOM 158 HA LYS A 10 -1.069 -2.410 -3.773 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.141 -3.854 -3.023 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.052 -4.336 -1.816 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.500 -4.343 -4.184 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.070 -4.988 -4.665 1.00 0.00 H ATOM 163 HD2 LYS A 10 -1.672 -6.005 -2.401 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.362 -6.825 -3.932 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.008 -7.055 -3.385 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.781 -6.117 -1.895 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.120 -7.857 -1.530 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.480 -8.225 -1.095 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.166 -8.817 -2.552 1.00 0.00 H ATOM 170 N VAL A 11 -0.919 -1.992 -0.511 1.00 0.00 N ATOM 171 CA VAL A 11 -1.788 -1.797 0.681 1.00 0.00 C ATOM 172 C VAL A 11 -2.556 -0.475 0.586 1.00 0.00 C ATOM 173 O VAL A 11 -3.767 -0.446 0.681 1.00 0.00 O ATOM 174 CB VAL A 11 -0.836 -1.847 1.890 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.503 -0.440 2.406 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.495 -2.649 3.013 1.00 0.00 C ATOM 177 H VAL A 11 0.049 -1.899 -0.432 1.00 0.00 H ATOM 178 HA VAL A 11 -2.481 -2.610 0.745 1.00 0.00 H ATOM 179 HB VAL A 11 0.072 -2.341 1.592 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.006 -0.519 3.361 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.413 0.128 2.522 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.148 0.058 1.705 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.565 -2.506 2.978 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.118 -2.310 3.966 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.267 -3.697 2.889 1.00 0.00 H ATOM 186 N ALA A 12 -1.875 0.619 0.390 1.00 0.00 N ATOM 187 CA ALA A 12 -2.596 1.912 0.284 1.00 0.00 C ATOM 188 C ALA A 12 -3.562 1.854 -0.893 1.00 0.00 C ATOM 189 O ALA A 12 -4.593 2.496 -0.895 1.00 0.00 O ATOM 190 CB ALA A 12 -1.518 2.962 0.064 1.00 0.00 C ATOM 191 H ALA A 12 -0.903 0.588 0.306 1.00 0.00 H ATOM 192 HA ALA A 12 -3.127 2.119 1.191 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.615 2.659 0.571 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.855 3.908 0.463 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.325 3.062 -0.992 1.00 0.00 H ATOM 196 N GLU A 13 -3.253 1.064 -1.885 1.00 0.00 N ATOM 197 CA GLU A 13 -4.177 0.949 -3.037 1.00 0.00 C ATOM 198 C GLU A 13 -5.395 0.143 -2.598 1.00 0.00 C ATOM 199 O GLU A 13 -6.496 0.332 -3.079 1.00 0.00 O ATOM 200 CB GLU A 13 -3.393 0.205 -4.118 1.00 0.00 C ATOM 201 CG GLU A 13 -4.215 0.161 -5.409 1.00 0.00 C ATOM 202 CD GLU A 13 -5.106 -1.082 -5.404 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.611 -2.140 -5.048 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.267 -0.957 -5.754 1.00 0.00 O ATOM 205 H GLU A 13 -2.430 0.534 -1.859 1.00 0.00 H ATOM 206 HA GLU A 13 -4.466 1.921 -3.385 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.460 0.718 -4.302 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.194 -0.802 -3.788 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.832 1.047 -5.474 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.550 0.122 -6.258 1.00 0.00 H ATOM 211 N LYS A 14 -5.201 -0.748 -1.664 1.00 0.00 N ATOM 212 CA LYS A 14 -6.330 -1.561 -1.167 1.00 0.00 C ATOM 213 C LYS A 14 -7.004 -0.835 -0.014 1.00 0.00 C ATOM 214 O LYS A 14 -8.110 -1.147 0.372 1.00 0.00 O ATOM 215 CB LYS A 14 -5.713 -2.876 -0.702 1.00 0.00 C ATOM 216 CG LYS A 14 -5.304 -3.706 -1.918 1.00 0.00 C ATOM 217 CD LYS A 14 -6.553 -4.088 -2.713 1.00 0.00 C ATOM 218 CE LYS A 14 -6.767 -5.601 -2.634 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.389 -5.831 -1.300 1.00 0.00 N ATOM 220 H LYS A 14 -4.313 -0.870 -1.282 1.00 0.00 H ATOM 221 HA LYS A 14 -7.027 -1.734 -1.956 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.844 -2.668 -0.096 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.437 -3.425 -0.120 1.00 0.00 H ATOM 224 HG2 LYS A 14 -4.641 -3.127 -2.543 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.801 -4.603 -1.591 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.412 -3.580 -2.298 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.426 -3.797 -3.744 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.432 -5.925 -3.423 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.824 -6.119 -2.697 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -8.370 -5.488 -1.310 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.849 -5.318 -0.573 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.382 -6.848 -1.084 1.00 0.00 H ATOM 233 N PHE A 15 -6.358 0.149 0.527 1.00 0.00 N ATOM 234 CA PHE A 15 -6.987 0.906 1.624 1.00 0.00 C ATOM 235 C PHE A 15 -7.997 1.861 1.005 1.00 0.00 C ATOM 236 O PHE A 15 -9.074 2.084 1.524 1.00 0.00 O ATOM 237 CB PHE A 15 -5.854 1.673 2.299 1.00 0.00 C ATOM 238 CG PHE A 15 -5.191 0.803 3.340 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.218 -0.592 3.216 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.544 1.395 4.431 1.00 0.00 C ATOM 241 CE1 PHE A 15 -4.598 -1.393 4.182 1.00 0.00 C ATOM 242 CE2 PHE A 15 -3.924 0.594 5.398 1.00 0.00 C ATOM 243 CZ PHE A 15 -3.951 -0.799 5.273 1.00 0.00 C ATOM 244 H PHE A 15 -5.474 0.403 0.198 1.00 0.00 H ATOM 245 HA PHE A 15 -7.461 0.242 2.313 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.125 1.959 1.557 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.253 2.556 2.772 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.718 -1.049 2.375 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.523 2.470 4.528 1.00 0.00 H ATOM 250 HE1 PHE A 15 -4.620 -2.468 4.087 1.00 0.00 H ATOM 251 HE2 PHE A 15 -3.424 1.052 6.238 1.00 0.00 H ATOM 252 HZ PHE A 15 -3.472 -1.419 6.019 1.00 0.00 H ATOM 253 N LYS A 16 -7.653 2.399 -0.130 1.00 0.00 N ATOM 254 CA LYS A 16 -8.568 3.325 -0.831 1.00 0.00 C ATOM 255 C LYS A 16 -9.461 2.531 -1.777 1.00 0.00 C ATOM 256 O LYS A 16 -10.475 3.009 -2.245 1.00 0.00 O ATOM 257 CB LYS A 16 -7.658 4.270 -1.614 1.00 0.00 C ATOM 258 CG LYS A 16 -6.770 5.048 -0.642 1.00 0.00 C ATOM 259 CD LYS A 16 -6.660 6.503 -1.103 1.00 0.00 C ATOM 260 CE LYS A 16 -5.451 6.655 -2.031 1.00 0.00 C ATOM 261 NZ LYS A 16 -4.946 8.040 -1.797 1.00 0.00 N ATOM 262 H LYS A 16 -6.792 2.171 -0.531 1.00 0.00 H ATOM 263 HA LYS A 16 -9.156 3.879 -0.124 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.040 3.694 -2.288 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.261 4.963 -2.182 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.203 5.015 0.346 1.00 0.00 H ATOM 267 HG3 LYS A 16 -5.786 4.605 -0.620 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.560 6.782 -1.633 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.534 7.144 -0.243 1.00 0.00 H ATOM 270 HE2 LYS A 16 -4.691 5.929 -1.776 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.750 6.542 -3.062 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -3.927 8.007 -1.589 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.450 8.466 -0.991 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.103 8.615 -2.648 1.00 0.00 H ATOM 275 N GLU A 17 -9.091 1.310 -2.058 1.00 0.00 N ATOM 276 CA GLU A 17 -9.916 0.477 -2.965 1.00 0.00 C ATOM 277 C GLU A 17 -10.768 -0.479 -2.144 1.00 0.00 C ATOM 278 O GLU A 17 -11.959 -0.598 -2.342 1.00 0.00 O ATOM 279 CB GLU A 17 -8.924 -0.293 -3.835 1.00 0.00 C ATOM 280 CG GLU A 17 -9.689 -1.272 -4.727 1.00 0.00 C ATOM 281 CD GLU A 17 -9.661 -0.772 -6.171 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.197 0.336 -6.385 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.104 -1.504 -7.040 1.00 0.00 O ATOM 284 H GLU A 17 -8.274 0.943 -1.664 1.00 0.00 H ATOM 285 HA GLU A 17 -10.534 1.103 -3.570 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.370 0.402 -4.451 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.240 -0.841 -3.204 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.226 -2.247 -4.671 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.714 -1.338 -4.391 1.00 0.00 H ATOM 290 N ALA A 18 -10.163 -1.151 -1.214 1.00 0.00 N ATOM 291 CA ALA A 18 -10.925 -2.086 -0.358 1.00 0.00 C ATOM 292 C ALA A 18 -11.657 -1.287 0.719 1.00 0.00 C ATOM 293 O ALA A 18 -12.611 -1.756 1.305 1.00 0.00 O ATOM 294 CB ALA A 18 -9.873 -2.998 0.268 1.00 0.00 C ATOM 295 H ALA A 18 -9.209 -1.031 -1.071 1.00 0.00 H ATOM 296 HA ALA A 18 -11.616 -2.660 -0.949 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.502 -2.549 1.178 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.054 -3.131 -0.425 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.315 -3.957 0.493 1.00 0.00 H ATOM 300 N PHE A 19 -11.203 -0.077 0.965 1.00 0.00 N ATOM 301 CA PHE A 19 -11.838 0.807 1.998 1.00 0.00 C ATOM 302 C PHE A 19 -12.519 -0.018 3.103 1.00 0.00 C ATOM 303 O PHE A 19 -12.063 -1.091 3.447 1.00 0.00 O ATOM 304 CB PHE A 19 -12.849 1.665 1.227 1.00 0.00 C ATOM 305 CG PHE A 19 -13.675 0.804 0.303 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.545 -0.157 0.829 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.577 0.975 -1.084 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.314 -0.949 -0.031 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.345 0.183 -1.943 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.214 -0.779 -1.416 1.00 0.00 C ATOM 311 H PHE A 19 -10.429 0.258 0.456 1.00 0.00 H ATOM 312 HA PHE A 19 -11.088 1.448 2.434 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.499 2.171 1.921 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.316 2.400 0.643 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.621 -0.289 1.897 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.906 1.717 -1.490 1.00 0.00 H ATOM 317 HE1 PHE A 19 -15.985 -1.691 0.376 1.00 0.00 H ATOM 318 HE2 PHE A 19 -14.267 0.314 -3.012 1.00 0.00 H ATOM 319 HZ PHE A 19 -15.807 -1.391 -2.080 1.00 0.00 H HETATM 320 N NH2 A 20 -13.591 0.443 3.688 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.021 -0.079 4.399 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.968 1.305 3.421 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 36 HETATM 1 C ACE A 1 12.009 -0.423 -0.350 1.00 0.00 C HETATM 2 O ACE A 1 11.091 0.340 -0.569 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.795 -0.366 0.948 1.00 0.00 C HETATM 4 H1 ACE A 1 12.201 -0.806 1.739 1.00 0.00 H HETATM 5 H2 ACE A 1 13.018 0.658 1.188 1.00 0.00 H HETATM 6 H3 ACE A 1 13.712 -0.924 0.834 1.00 0.00 H ATOM 7 N ASP A 2 12.322 -1.363 -1.186 1.00 0.00 N ATOM 8 CA ASP A 2 11.553 -1.519 -2.430 1.00 0.00 C ATOM 9 C ASP A 2 10.363 -2.353 -2.033 1.00 0.00 C ATOM 10 O ASP A 2 9.257 -2.166 -2.489 1.00 0.00 O ATOM 11 CB ASP A 2 12.464 -2.267 -3.401 1.00 0.00 C ATOM 12 CG ASP A 2 13.739 -1.456 -3.629 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.290 -0.970 -2.655 1.00 0.00 O ATOM 14 OD2 ASP A 2 14.144 -1.334 -4.773 1.00 0.00 O ATOM 15 H ASP A 2 13.018 -2.000 -0.964 1.00 0.00 H ATOM 16 HA ASP A 2 11.257 -0.565 -2.824 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.718 -3.232 -2.985 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.952 -2.402 -4.342 1.00 0.00 H ATOM 19 N TRP A 3 10.611 -3.243 -1.112 1.00 0.00 N ATOM 20 CA TRP A 3 9.548 -4.097 -0.569 1.00 0.00 C ATOM 21 C TRP A 3 8.693 -3.244 0.375 1.00 0.00 C ATOM 22 O TRP A 3 7.539 -3.528 0.627 1.00 0.00 O ATOM 23 CB TRP A 3 10.304 -5.175 0.214 1.00 0.00 C ATOM 24 CG TRP A 3 11.076 -4.481 1.278 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.517 -3.872 2.338 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.515 -4.293 1.410 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.493 -3.254 3.067 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.754 -3.511 2.564 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.622 -4.708 0.648 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.043 -3.150 2.951 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.925 -4.353 1.039 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.135 -3.576 2.189 1.00 0.00 C ATOM 33 H TRP A 3 11.513 -3.322 -0.750 1.00 0.00 H ATOM 34 HA TRP A 3 8.974 -4.523 -1.349 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.603 -5.869 0.657 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.979 -5.701 -0.442 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.457 -3.820 2.539 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.329 -2.715 3.854 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.470 -5.306 -0.237 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.198 -2.553 3.838 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.770 -4.683 0.451 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.139 -3.308 2.485 1.00 0.00 H ATOM 43 N PHE A 4 9.282 -2.192 0.906 1.00 0.00 N ATOM 44 CA PHE A 4 8.553 -1.299 1.842 1.00 0.00 C ATOM 45 C PHE A 4 7.655 -0.395 1.028 1.00 0.00 C ATOM 46 O PHE A 4 6.469 -0.332 1.237 1.00 0.00 O ATOM 47 CB PHE A 4 9.628 -0.491 2.568 1.00 0.00 C ATOM 48 CG PHE A 4 8.966 0.542 3.454 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.610 0.213 4.768 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.704 1.826 2.959 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.995 1.169 5.588 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.090 2.782 3.778 1.00 0.00 C ATOM 53 CZ PHE A 4 7.734 2.453 5.092 1.00 0.00 C ATOM 54 H PHE A 4 10.211 -1.997 0.686 1.00 0.00 H ATOM 55 HA PHE A 4 7.981 -1.879 2.543 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.230 -1.153 3.173 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.255 0.006 1.843 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.811 -0.776 5.151 1.00 0.00 H ATOM 59 HD2 PHE A 4 8.979 2.080 1.945 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.721 0.914 6.602 1.00 0.00 H ATOM 61 HE2 PHE A 4 7.889 3.771 3.394 1.00 0.00 H ATOM 62 HZ PHE A 4 7.259 3.190 5.724 1.00 0.00 H ATOM 63 N LYS A 5 8.210 0.266 0.061 1.00 0.00 N ATOM 64 CA LYS A 5 7.372 1.110 -0.812 1.00 0.00 C ATOM 65 C LYS A 5 6.491 0.163 -1.626 1.00 0.00 C ATOM 66 O LYS A 5 5.510 0.553 -2.231 1.00 0.00 O ATOM 67 CB LYS A 5 8.363 1.855 -1.714 1.00 0.00 C ATOM 68 CG LYS A 5 7.608 2.549 -2.853 1.00 0.00 C ATOM 69 CD LYS A 5 8.466 2.537 -4.120 1.00 0.00 C ATOM 70 CE LYS A 5 9.703 3.414 -3.914 1.00 0.00 C ATOM 71 NZ LYS A 5 10.113 3.829 -5.284 1.00 0.00 N ATOM 72 H LYS A 5 9.166 0.172 -0.119 1.00 0.00 H ATOM 73 HA LYS A 5 6.785 1.800 -0.232 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.893 2.595 -1.130 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.068 1.153 -2.130 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.684 2.028 -3.044 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.395 3.570 -2.575 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.773 1.525 -4.339 1.00 0.00 H ATOM 79 HD3 LYS A 5 7.888 2.922 -4.948 1.00 0.00 H ATOM 80 HE2 LYS A 5 9.454 4.279 -3.316 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.494 2.847 -3.448 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.857 3.087 -5.964 1.00 0.00 H ATOM 83 HZ2 LYS A 5 11.142 3.982 -5.307 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.626 4.713 -5.541 1.00 0.00 H ATOM 85 N ALA A 6 6.850 -1.103 -1.638 1.00 0.00 N ATOM 86 CA ALA A 6 6.066 -2.099 -2.413 1.00 0.00 C ATOM 87 C ALA A 6 4.801 -2.525 -1.661 1.00 0.00 C ATOM 88 O ALA A 6 3.789 -2.823 -2.263 1.00 0.00 O ATOM 89 CB ALA A 6 7.011 -3.279 -2.585 1.00 0.00 C ATOM 90 H ALA A 6 7.648 -1.399 -1.134 1.00 0.00 H ATOM 91 HA ALA A 6 5.815 -1.702 -3.371 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.623 -3.374 -1.702 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.645 -3.107 -3.443 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.442 -4.181 -2.731 1.00 0.00 H ATOM 95 N PHE A 7 4.843 -2.565 -0.358 1.00 0.00 N ATOM 96 CA PHE A 7 3.639 -2.978 0.401 1.00 0.00 C ATOM 97 C PHE A 7 2.850 -1.743 0.834 1.00 0.00 C ATOM 98 O PHE A 7 1.640 -1.750 0.872 1.00 0.00 O ATOM 99 CB PHE A 7 4.167 -3.799 1.593 1.00 0.00 C ATOM 100 CG PHE A 7 4.302 -2.949 2.841 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.156 -2.475 3.494 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.572 -2.647 3.353 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.279 -1.699 4.652 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.692 -1.871 4.512 1.00 0.00 C ATOM 105 CZ PHE A 7 4.546 -1.397 5.161 1.00 0.00 C ATOM 106 H PHE A 7 5.657 -2.327 0.116 1.00 0.00 H ATOM 107 HA PHE A 7 3.025 -3.595 -0.222 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.485 -4.610 1.794 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.133 -4.207 1.337 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.179 -2.706 3.101 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.458 -3.013 2.855 1.00 0.00 H ATOM 112 HE1 PHE A 7 2.396 -1.333 5.152 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.668 -1.638 4.906 1.00 0.00 H ATOM 114 HZ PHE A 7 4.640 -0.799 6.054 1.00 0.00 H ATOM 115 N TYR A 8 3.527 -0.680 1.139 1.00 0.00 N ATOM 116 CA TYR A 8 2.818 0.556 1.541 1.00 0.00 C ATOM 117 C TYR A 8 2.028 1.082 0.346 1.00 0.00 C ATOM 118 O TYR A 8 0.955 1.637 0.487 1.00 0.00 O ATOM 119 CB TYR A 8 3.921 1.533 1.945 1.00 0.00 C ATOM 120 CG TYR A 8 3.317 2.693 2.697 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.491 3.599 2.029 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.587 2.862 4.062 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.929 4.677 2.722 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.025 3.941 4.757 1.00 0.00 C ATOM 125 CZ TYR A 8 2.198 4.849 4.086 1.00 0.00 C ATOM 126 OH TYR A 8 1.643 5.912 4.769 1.00 0.00 O ATOM 127 H TYR A 8 4.493 -0.689 1.085 1.00 0.00 H ATOM 128 HA TYR A 8 2.167 0.361 2.373 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.635 1.028 2.577 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.417 1.899 1.060 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.284 3.464 0.977 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.227 2.161 4.578 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.289 5.377 2.205 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.231 4.073 5.809 1.00 0.00 H ATOM 135 HH TYR A 8 1.191 6.470 4.132 1.00 0.00 H ATOM 136 N ASP A 9 2.546 0.889 -0.837 1.00 0.00 N ATOM 137 CA ASP A 9 1.822 1.355 -2.046 1.00 0.00 C ATOM 138 C ASP A 9 0.752 0.329 -2.420 1.00 0.00 C ATOM 139 O ASP A 9 -0.405 0.655 -2.596 1.00 0.00 O ATOM 140 CB ASP A 9 2.890 1.453 -3.132 1.00 0.00 C ATOM 141 CG ASP A 9 2.471 2.496 -4.170 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.826 3.459 -3.788 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.803 2.315 -5.330 1.00 0.00 O ATOM 144 H ASP A 9 3.404 0.423 -0.932 1.00 0.00 H ATOM 145 HA ASP A 9 1.386 2.316 -1.870 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.825 1.747 -2.682 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.004 0.494 -3.612 1.00 0.00 H ATOM 148 N LYS A 10 1.130 -0.915 -2.527 1.00 0.00 N ATOM 149 CA LYS A 10 0.140 -1.970 -2.872 1.00 0.00 C ATOM 150 C LYS A 10 -1.006 -1.952 -1.859 1.00 0.00 C ATOM 151 O LYS A 10 -2.167 -1.920 -2.215 1.00 0.00 O ATOM 152 CB LYS A 10 0.923 -3.283 -2.776 1.00 0.00 C ATOM 153 CG LYS A 10 -0.048 -4.456 -2.632 1.00 0.00 C ATOM 154 CD LYS A 10 0.726 -5.772 -2.711 1.00 0.00 C ATOM 155 CE LYS A 10 0.229 -6.718 -1.617 1.00 0.00 C ATOM 156 NZ LYS A 10 1.216 -7.833 -1.593 1.00 0.00 N ATOM 157 H LYS A 10 2.065 -1.158 -2.370 1.00 0.00 H ATOM 158 HA LYS A 10 -0.233 -1.831 -3.873 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.516 -3.413 -3.670 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.574 -3.249 -1.915 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.550 -4.390 -1.675 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.779 -4.420 -3.425 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.567 -6.225 -3.678 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.778 -5.583 -2.568 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.210 -6.209 -0.662 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.751 -7.097 -1.863 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.782 -8.671 -1.159 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.049 -7.546 -1.038 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.507 -8.059 -2.564 1.00 0.00 H ATOM 170 N VAL A 11 -0.686 -1.971 -0.594 1.00 0.00 N ATOM 171 CA VAL A 11 -1.755 -1.954 0.437 1.00 0.00 C ATOM 172 C VAL A 11 -2.626 -0.712 0.250 1.00 0.00 C ATOM 173 O VAL A 11 -3.834 -0.764 0.365 1.00 0.00 O ATOM 174 CB VAL A 11 -1.010 -1.942 1.777 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.646 -0.511 2.184 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.892 -2.567 2.858 1.00 0.00 C ATOM 177 H VAL A 11 0.255 -1.996 -0.326 1.00 0.00 H ATOM 178 HA VAL A 11 -2.354 -2.842 0.358 1.00 0.00 H ATOM 179 HB VAL A 11 -0.108 -2.518 1.679 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.092 -0.040 1.386 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.039 -0.538 3.078 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.547 0.048 2.376 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.845 -2.842 2.431 1.00 0.00 H ATOM 184 HG22 VAL A 11 -2.045 -1.853 3.653 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.407 -3.446 3.254 1.00 0.00 H ATOM 186 N ALA A 12 -2.023 0.403 -0.051 1.00 0.00 N ATOM 187 CA ALA A 12 -2.825 1.640 -0.262 1.00 0.00 C ATOM 188 C ALA A 12 -3.788 1.442 -1.423 1.00 0.00 C ATOM 189 O ALA A 12 -4.866 2.000 -1.442 1.00 0.00 O ATOM 190 CB ALA A 12 -1.812 2.734 -0.568 1.00 0.00 C ATOM 191 H ALA A 12 -1.049 0.424 -0.149 1.00 0.00 H ATOM 192 HA ALA A 12 -3.374 1.887 0.621 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.494 2.655 -1.595 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.961 2.622 0.085 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.268 3.699 -0.403 1.00 0.00 H ATOM 196 N GLU A 13 -3.435 0.630 -2.374 1.00 0.00 N ATOM 197 CA GLU A 13 -4.370 0.386 -3.497 1.00 0.00 C ATOM 198 C GLU A 13 -5.588 -0.343 -2.938 1.00 0.00 C ATOM 199 O GLU A 13 -6.719 -0.113 -3.336 1.00 0.00 O ATOM 200 CB GLU A 13 -3.604 -0.494 -4.486 1.00 0.00 C ATOM 201 CG GLU A 13 -4.539 -0.915 -5.620 1.00 0.00 C ATOM 202 CD GLU A 13 -4.083 -2.260 -6.189 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.511 -3.035 -5.440 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.315 -2.492 -7.364 1.00 0.00 O ATOM 205 H GLU A 13 -2.575 0.165 -2.337 1.00 0.00 H ATOM 206 HA GLU A 13 -4.656 1.313 -3.957 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.773 0.064 -4.893 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.236 -1.372 -3.977 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.547 -1.006 -5.241 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.514 -0.170 -6.402 1.00 0.00 H ATOM 211 N LYS A 14 -5.363 -1.193 -1.975 1.00 0.00 N ATOM 212 CA LYS A 14 -6.487 -1.909 -1.350 1.00 0.00 C ATOM 213 C LYS A 14 -7.215 -0.929 -0.454 1.00 0.00 C ATOM 214 O LYS A 14 -8.395 -1.038 -0.233 1.00 0.00 O ATOM 215 CB LYS A 14 -5.853 -3.038 -0.539 1.00 0.00 C ATOM 216 CG LYS A 14 -6.949 -3.941 0.034 1.00 0.00 C ATOM 217 CD LYS A 14 -6.932 -5.283 -0.700 1.00 0.00 C ATOM 218 CE LYS A 14 -8.327 -5.913 -0.661 1.00 0.00 C ATOM 219 NZ LYS A 14 -8.432 -6.530 0.690 1.00 0.00 N ATOM 220 H LYS A 14 -4.459 -1.331 -1.642 1.00 0.00 H ATOM 221 HA LYS A 14 -7.144 -2.304 -2.099 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.207 -3.619 -1.182 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.275 -2.618 0.268 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.768 -4.103 1.088 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.912 -3.472 -0.098 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.636 -5.128 -1.727 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.228 -5.946 -0.218 1.00 0.00 H ATOM 228 HE2 LYS A 14 -9.086 -5.155 -0.790 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.419 -6.672 -1.422 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -8.195 -7.540 0.628 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -9.404 -6.420 1.044 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.771 -6.059 1.339 1.00 0.00 H ATOM 233 N PHE A 15 -6.517 0.058 0.041 1.00 0.00 N ATOM 234 CA PHE A 15 -7.182 1.065 0.898 1.00 0.00 C ATOM 235 C PHE A 15 -8.176 1.837 0.050 1.00 0.00 C ATOM 236 O PHE A 15 -9.238 2.219 0.499 1.00 0.00 O ATOM 237 CB PHE A 15 -6.073 1.987 1.396 1.00 0.00 C ATOM 238 CG PHE A 15 -5.591 1.528 2.751 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.764 0.196 3.145 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.965 2.438 3.609 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.312 -0.225 4.400 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.512 2.018 4.864 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.686 0.686 5.260 1.00 0.00 C ATOM 244 H PHE A 15 -5.564 0.145 -0.174 1.00 0.00 H ATOM 245 HA PHE A 15 -7.674 0.590 1.719 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.252 1.970 0.698 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.457 2.993 1.477 1.00 0.00 H ATOM 248 HD1 PHE A 15 -6.247 -0.505 2.480 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.832 3.465 3.302 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.446 -1.252 4.705 1.00 0.00 H ATOM 251 HE2 PHE A 15 -4.029 2.720 5.526 1.00 0.00 H ATOM 252 HZ PHE A 15 -4.336 0.361 6.227 1.00 0.00 H ATOM 253 N LYS A 16 -7.839 2.050 -1.185 1.00 0.00 N ATOM 254 CA LYS A 16 -8.765 2.776 -2.083 1.00 0.00 C ATOM 255 C LYS A 16 -9.986 1.894 -2.345 1.00 0.00 C ATOM 256 O LYS A 16 -11.088 2.374 -2.517 1.00 0.00 O ATOM 257 CB LYS A 16 -7.977 3.023 -3.365 1.00 0.00 C ATOM 258 CG LYS A 16 -6.819 3.975 -3.064 1.00 0.00 C ATOM 259 CD LYS A 16 -7.330 5.418 -3.089 1.00 0.00 C ATOM 260 CE LYS A 16 -6.535 6.225 -4.119 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.147 6.277 -3.582 1.00 0.00 N ATOM 262 H LYS A 16 -6.980 1.717 -1.522 1.00 0.00 H ATOM 263 HA LYS A 16 -9.059 3.709 -1.641 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.590 2.086 -3.738 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.625 3.468 -4.104 1.00 0.00 H ATOM 266 HG2 LYS A 16 -6.415 3.754 -2.087 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.048 3.855 -3.809 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.377 5.424 -3.356 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.205 5.862 -2.115 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.551 5.727 -5.080 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.936 7.223 -4.205 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -4.580 6.936 -4.150 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -4.724 5.328 -3.625 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.168 6.604 -2.595 1.00 0.00 H ATOM 275 N GLU A 17 -9.795 0.600 -2.362 1.00 0.00 N ATOM 276 CA GLU A 17 -10.946 -0.319 -2.593 1.00 0.00 C ATOM 277 C GLU A 17 -11.424 -0.911 -1.262 1.00 0.00 C ATOM 278 O GLU A 17 -12.393 -1.644 -1.203 1.00 0.00 O ATOM 279 CB GLU A 17 -10.409 -1.418 -3.512 1.00 0.00 C ATOM 280 CG GLU A 17 -11.449 -2.534 -3.644 1.00 0.00 C ATOM 281 CD GLU A 17 -10.964 -3.776 -2.892 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.788 -3.830 -2.572 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.778 -4.653 -2.649 1.00 0.00 O ATOM 284 H GLU A 17 -8.897 0.234 -2.210 1.00 0.00 H ATOM 285 HA GLU A 17 -11.742 0.208 -3.078 1.00 0.00 H ATOM 286 HB2 GLU A 17 -10.203 -1.000 -4.487 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.501 -1.822 -3.094 1.00 0.00 H ATOM 288 HG2 GLU A 17 -12.390 -2.204 -3.227 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.584 -2.779 -4.686 1.00 0.00 H ATOM 290 N ALA A 18 -10.742 -0.598 -0.196 1.00 0.00 N ATOM 291 CA ALA A 18 -11.122 -1.129 1.137 1.00 0.00 C ATOM 292 C ALA A 18 -11.902 -0.069 1.912 1.00 0.00 C ATOM 293 O ALA A 18 -12.593 -0.357 2.869 1.00 0.00 O ATOM 294 CB ALA A 18 -9.788 -1.422 1.824 1.00 0.00 C ATOM 295 H ALA A 18 -9.969 -0.015 -0.273 1.00 0.00 H ATOM 296 HA ALA A 18 -11.694 -2.028 1.035 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.948 -1.581 2.877 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.121 -0.583 1.683 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.344 -2.307 1.387 1.00 0.00 H ATOM 300 N PHE A 19 -11.786 1.159 1.500 1.00 0.00 N ATOM 301 CA PHE A 19 -12.505 2.255 2.193 1.00 0.00 C ATOM 302 C PHE A 19 -13.368 3.036 1.196 1.00 0.00 C ATOM 303 O PHE A 19 -14.290 2.497 0.619 1.00 0.00 O ATOM 304 CB PHE A 19 -11.406 3.140 2.774 1.00 0.00 C ATOM 305 CG PHE A 19 -10.703 2.395 3.882 1.00 0.00 C ATOM 306 CD1 PHE A 19 -9.692 1.477 3.577 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.065 2.621 5.214 1.00 0.00 C ATOM 308 CE1 PHE A 19 -9.041 0.785 4.606 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.416 1.930 6.243 1.00 0.00 C ATOM 310 CZ PHE A 19 -9.405 1.011 5.939 1.00 0.00 C ATOM 311 H PHE A 19 -11.223 1.360 0.733 1.00 0.00 H ATOM 312 HA PHE A 19 -13.109 1.857 2.982 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.697 3.388 1.998 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.843 4.043 3.169 1.00 0.00 H ATOM 315 HD1 PHE A 19 -9.413 1.304 2.549 1.00 0.00 H ATOM 316 HD2 PHE A 19 -11.846 3.330 5.448 1.00 0.00 H ATOM 317 HE1 PHE A 19 -8.262 0.076 4.370 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.697 2.104 7.271 1.00 0.00 H ATOM 319 HZ PHE A 19 -8.902 0.478 6.734 1.00 0.00 H HETATM 320 N NH2 A 20 -13.108 4.295 0.963 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.657 4.797 0.327 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.366 4.739 1.423 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 37 HETATM 1 C ACE A 1 12.127 -0.434 -0.278 1.00 0.00 C HETATM 2 O ACE A 1 11.062 0.150 -0.219 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.153 -0.323 0.839 1.00 0.00 C HETATM 4 H1 ACE A 1 13.281 -1.294 1.299 1.00 0.00 H HETATM 5 H2 ACE A 1 12.803 0.382 1.577 1.00 0.00 H HETATM 6 H3 ACE A 1 14.092 0.011 0.431 1.00 0.00 H ATOM 7 N ASP A 2 12.415 -1.214 -1.276 1.00 0.00 N ATOM 8 CA ASP A 2 11.435 -1.398 -2.354 1.00 0.00 C ATOM 9 C ASP A 2 10.293 -2.164 -1.734 1.00 0.00 C ATOM 10 O ASP A 2 9.147 -1.978 -2.061 1.00 0.00 O ATOM 11 CB ASP A 2 12.145 -2.226 -3.421 1.00 0.00 C ATOM 12 CG ASP A 2 11.838 -1.651 -4.805 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.894 -0.442 -4.948 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.552 -2.432 -5.698 1.00 0.00 O ATOM 15 H ASP A 2 13.245 -1.710 -1.290 1.00 0.00 H ATOM 16 HA ASP A 2 11.112 -0.456 -2.749 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.211 -2.193 -3.246 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.800 -3.245 -3.371 1.00 0.00 H ATOM 19 N TRP A 3 10.632 -3.002 -0.791 1.00 0.00 N ATOM 20 CA TRP A 3 9.613 -3.790 -0.070 1.00 0.00 C ATOM 21 C TRP A 3 8.746 -2.841 0.773 1.00 0.00 C ATOM 22 O TRP A 3 7.720 -3.223 1.291 1.00 0.00 O ATOM 23 CB TRP A 3 10.424 -4.742 0.834 1.00 0.00 C ATOM 24 CG TRP A 3 10.821 -3.985 2.057 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.249 -2.713 2.034 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.820 -4.395 3.454 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.446 -2.281 3.314 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.226 -3.288 4.237 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.501 -5.596 4.116 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.313 -3.367 5.628 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.594 -5.681 5.516 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.999 -4.569 6.270 1.00 0.00 C ATOM 33 H TRP A 3 11.572 -3.091 -0.541 1.00 0.00 H ATOM 34 HA TRP A 3 9.018 -4.345 -0.758 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.816 -5.591 1.111 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.307 -5.080 0.312 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.372 -2.113 1.151 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.721 -1.381 3.551 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.190 -6.458 3.545 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.626 -2.508 6.204 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.352 -6.609 6.015 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.068 -4.642 7.345 1.00 0.00 H ATOM 43 N PHE A 4 9.178 -1.610 0.915 1.00 0.00 N ATOM 44 CA PHE A 4 8.418 -0.620 1.719 1.00 0.00 C ATOM 45 C PHE A 4 7.448 0.084 0.797 1.00 0.00 C ATOM 46 O PHE A 4 6.257 0.036 0.981 1.00 0.00 O ATOM 47 CB PHE A 4 9.458 0.355 2.264 1.00 0.00 C ATOM 48 CG PHE A 4 8.941 0.980 3.539 1.00 0.00 C ATOM 49 CD1 PHE A 4 7.773 1.753 3.519 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.629 0.784 4.742 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.294 2.330 4.702 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.151 1.361 5.925 1.00 0.00 C ATOM 53 CZ PHE A 4 7.983 2.134 5.904 1.00 0.00 C ATOM 54 H PHE A 4 10.008 -1.339 0.487 1.00 0.00 H ATOM 55 HA PHE A 4 7.903 -1.104 2.522 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.374 -0.179 2.468 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.642 1.127 1.534 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.240 1.905 2.592 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.530 0.188 4.757 1.00 0.00 H ATOM 60 HE1 PHE A 4 6.394 2.926 4.687 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.682 1.209 6.853 1.00 0.00 H ATOM 62 HZ PHE A 4 7.614 2.578 6.817 1.00 0.00 H ATOM 63 N LYS A 5 7.949 0.691 -0.234 1.00 0.00 N ATOM 64 CA LYS A 5 7.040 1.327 -1.202 1.00 0.00 C ATOM 65 C LYS A 5 6.257 0.202 -1.883 1.00 0.00 C ATOM 66 O LYS A 5 5.271 0.426 -2.557 1.00 0.00 O ATOM 67 CB LYS A 5 7.954 2.044 -2.196 1.00 0.00 C ATOM 68 CG LYS A 5 7.126 2.991 -3.067 1.00 0.00 C ATOM 69 CD LYS A 5 7.630 2.930 -4.511 1.00 0.00 C ATOM 70 CE LYS A 5 6.495 2.468 -5.428 1.00 0.00 C ATOM 71 NZ LYS A 5 6.722 1.007 -5.612 1.00 0.00 N ATOM 72 H LYS A 5 8.915 0.688 -0.393 1.00 0.00 H ATOM 73 HA LYS A 5 6.386 2.025 -0.713 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.697 2.609 -1.656 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.440 1.315 -2.825 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.088 2.695 -3.035 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.225 3.999 -2.696 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.966 3.912 -4.814 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.450 2.232 -4.577 1.00 0.00 H ATOM 80 HE2 LYS A 5 5.538 2.647 -4.958 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.550 2.974 -6.380 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.696 0.532 -4.687 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.652 0.854 -6.054 1.00 0.00 H ATOM 84 HZ3 LYS A 5 5.978 0.614 -6.222 1.00 0.00 H ATOM 85 N ALA A 6 6.705 -1.023 -1.698 1.00 0.00 N ATOM 86 CA ALA A 6 6.013 -2.181 -2.323 1.00 0.00 C ATOM 87 C ALA A 6 4.819 -2.616 -1.481 1.00 0.00 C ATOM 88 O ALA A 6 3.737 -2.816 -1.990 1.00 0.00 O ATOM 89 CB ALA A 6 7.070 -3.278 -2.380 1.00 0.00 C ATOM 90 H ALA A 6 7.505 -1.182 -1.142 1.00 0.00 H ATOM 91 HA ALA A 6 5.695 -1.935 -3.312 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.612 -3.301 -1.443 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.760 -3.067 -3.185 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.598 -4.229 -2.549 1.00 0.00 H ATOM 95 N PHE A 7 4.994 -2.760 -0.199 1.00 0.00 N ATOM 96 CA PHE A 7 3.846 -3.170 0.645 1.00 0.00 C ATOM 97 C PHE A 7 2.893 -1.983 0.788 1.00 0.00 C ATOM 98 O PHE A 7 1.688 -2.124 0.722 1.00 0.00 O ATOM 99 CB PHE A 7 4.452 -3.614 1.994 1.00 0.00 C ATOM 100 CG PHE A 7 4.621 -2.444 2.947 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.497 -1.790 3.463 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.905 -2.027 3.332 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.650 -0.720 4.353 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.058 -0.956 4.221 1.00 0.00 C ATOM 105 CZ PHE A 7 4.931 -0.303 4.730 1.00 0.00 C ATOM 106 H PHE A 7 5.866 -2.591 0.202 1.00 0.00 H ATOM 107 HA PHE A 7 3.337 -3.996 0.182 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.800 -4.346 2.449 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.417 -4.067 1.815 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.511 -2.109 3.171 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.777 -2.529 2.945 1.00 0.00 H ATOM 112 HE1 PHE A 7 2.780 -0.218 4.749 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.046 -0.635 4.511 1.00 0.00 H ATOM 114 HZ PHE A 7 5.049 0.522 5.418 1.00 0.00 H ATOM 115 N TYR A 8 3.436 -0.811 0.963 1.00 0.00 N ATOM 116 CA TYR A 8 2.592 0.407 1.092 1.00 0.00 C ATOM 117 C TYR A 8 1.826 0.641 -0.213 1.00 0.00 C ATOM 118 O TYR A 8 0.748 1.196 -0.214 1.00 0.00 O ATOM 119 CB TYR A 8 3.579 1.549 1.364 1.00 0.00 C ATOM 120 CG TYR A 8 2.957 2.872 0.975 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.725 3.256 1.519 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.611 3.708 0.061 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.146 4.476 1.149 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.033 4.929 -0.307 1.00 0.00 C ATOM 125 CZ TYR A 8 1.800 5.313 0.237 1.00 0.00 C ATOM 126 OH TYR A 8 1.230 6.515 -0.129 1.00 0.00 O ATOM 127 H TYR A 8 4.402 -0.732 0.998 1.00 0.00 H ATOM 128 HA TYR A 8 1.911 0.303 1.918 1.00 0.00 H ATOM 129 HB2 TYR A 8 3.828 1.566 2.414 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.478 1.392 0.787 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.221 2.611 2.223 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.561 3.412 -0.357 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.197 4.773 1.570 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.536 5.573 -1.012 1.00 0.00 H ATOM 135 HH TYR A 8 0.336 6.538 0.219 1.00 0.00 H ATOM 136 N ASP A 9 2.368 0.220 -1.324 1.00 0.00 N ATOM 137 CA ASP A 9 1.653 0.416 -2.613 1.00 0.00 C ATOM 138 C ASP A 9 0.470 -0.549 -2.687 1.00 0.00 C ATOM 139 O ASP A 9 -0.663 -0.154 -2.877 1.00 0.00 O ATOM 140 CB ASP A 9 2.675 0.097 -3.699 1.00 0.00 C ATOM 141 CG ASP A 9 3.178 1.397 -4.332 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.422 2.336 -3.592 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.309 1.432 -5.544 1.00 0.00 O ATOM 144 H ASP A 9 3.239 -0.228 -1.310 1.00 0.00 H ATOM 145 HA ASP A 9 1.323 1.433 -2.708 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.505 -0.436 -3.263 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.211 -0.512 -4.457 1.00 0.00 H ATOM 148 N LYS A 10 0.732 -1.818 -2.532 1.00 0.00 N ATOM 149 CA LYS A 10 -0.368 -2.826 -2.586 1.00 0.00 C ATOM 150 C LYS A 10 -1.496 -2.448 -1.619 1.00 0.00 C ATOM 151 O LYS A 10 -2.642 -2.307 -2.005 1.00 0.00 O ATOM 152 CB LYS A 10 0.283 -4.144 -2.153 1.00 0.00 C ATOM 153 CG LYS A 10 -0.802 -5.162 -1.786 1.00 0.00 C ATOM 154 CD LYS A 10 -0.209 -6.573 -1.814 1.00 0.00 C ATOM 155 CE LYS A 10 -1.221 -7.565 -1.238 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.218 -7.773 -2.324 1.00 0.00 N ATOM 157 H LYS A 10 1.658 -2.109 -2.379 1.00 0.00 H ATOM 158 HA LYS A 10 -0.746 -2.917 -3.591 1.00 0.00 H ATOM 159 HB2 LYS A 10 0.881 -4.533 -2.963 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.912 -3.967 -1.293 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.176 -4.948 -0.794 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.611 -5.100 -2.498 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.023 -6.845 -2.833 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.693 -6.597 -1.221 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.733 -8.498 -0.988 1.00 0.00 H ATOM 166 HE3 LYS A 10 -1.705 -7.149 -0.367 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -2.552 -6.851 -2.670 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -3.024 -8.317 -1.954 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -1.776 -8.295 -3.107 1.00 0.00 H ATOM 170 N VAL A 11 -1.185 -2.301 -0.359 1.00 0.00 N ATOM 171 CA VAL A 11 -2.243 -1.957 0.634 1.00 0.00 C ATOM 172 C VAL A 11 -2.897 -0.614 0.302 1.00 0.00 C ATOM 173 O VAL A 11 -4.104 -0.486 0.313 1.00 0.00 O ATOM 174 CB VAL A 11 -1.522 -1.884 1.980 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.818 -3.214 2.253 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.490 -0.754 1.956 1.00 0.00 C ATOM 177 H VAL A 11 -0.260 -2.431 -0.064 1.00 0.00 H ATOM 178 HA VAL A 11 -2.987 -2.733 0.663 1.00 0.00 H ATOM 179 HB VAL A 11 -2.243 -1.694 2.759 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.120 -3.241 1.719 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.444 -4.029 1.923 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.632 -3.310 3.313 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.147 -0.828 2.824 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.999 0.197 1.963 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.108 -0.833 1.060 1.00 0.00 H ATOM 186 N ALA A 12 -2.118 0.388 0.013 1.00 0.00 N ATOM 187 CA ALA A 12 -2.709 1.715 -0.312 1.00 0.00 C ATOM 188 C ALA A 12 -3.779 1.562 -1.384 1.00 0.00 C ATOM 189 O ALA A 12 -4.771 2.264 -1.389 1.00 0.00 O ATOM 190 CB ALA A 12 -1.548 2.560 -0.820 1.00 0.00 C ATOM 191 H ALA A 12 -1.150 0.268 0.012 1.00 0.00 H ATOM 192 HA ALA A 12 -3.129 2.164 0.566 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.928 3.501 -1.189 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.045 2.036 -1.616 1.00 0.00 H ATOM 195 HB3 ALA A 12 -0.857 2.743 -0.010 1.00 0.00 H ATOM 196 N GLU A 13 -3.601 0.638 -2.281 1.00 0.00 N ATOM 197 CA GLU A 13 -4.626 0.437 -3.329 1.00 0.00 C ATOM 198 C GLU A 13 -5.825 -0.265 -2.708 1.00 0.00 C ATOM 199 O GLU A 13 -6.949 -0.121 -3.151 1.00 0.00 O ATOM 200 CB GLU A 13 -3.960 -0.440 -4.381 1.00 0.00 C ATOM 201 CG GLU A 13 -3.853 0.332 -5.698 1.00 0.00 C ATOM 202 CD GLU A 13 -2.407 0.787 -5.907 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.541 -0.070 -5.968 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.191 1.983 -6.002 1.00 0.00 O ATOM 205 H GLU A 13 -2.807 0.071 -2.255 1.00 0.00 H ATOM 206 HA GLU A 13 -4.912 1.375 -3.754 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.973 -0.717 -4.045 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.554 -1.328 -4.535 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.151 -0.308 -6.515 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.498 1.197 -5.663 1.00 0.00 H ATOM 211 N LYS A 14 -5.590 -1.014 -1.666 1.00 0.00 N ATOM 212 CA LYS A 14 -6.704 -1.718 -0.993 1.00 0.00 C ATOM 213 C LYS A 14 -7.362 -0.786 0.015 1.00 0.00 C ATOM 214 O LYS A 14 -8.497 -0.972 0.402 1.00 0.00 O ATOM 215 CB LYS A 14 -6.065 -2.909 -0.285 1.00 0.00 C ATOM 216 CG LYS A 14 -6.483 -4.207 -0.977 1.00 0.00 C ATOM 217 CD LYS A 14 -5.741 -4.338 -2.307 1.00 0.00 C ATOM 218 CE LYS A 14 -6.485 -5.325 -3.208 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.166 -6.675 -2.656 1.00 0.00 N ATOM 220 H LYS A 14 -4.681 -1.103 -1.323 1.00 0.00 H ATOM 221 HA LYS A 14 -7.414 -2.051 -1.712 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.991 -2.813 -0.322 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.392 -2.931 0.741 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.239 -5.048 -0.343 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.548 -4.192 -1.161 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.691 -3.373 -2.789 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.741 -4.704 -2.126 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.550 -5.141 -3.164 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.130 -5.248 -4.223 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.636 -6.575 -1.767 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.591 -7.202 -3.345 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.048 -7.193 -2.474 1.00 0.00 H ATOM 233 N PHE A 15 -6.664 0.228 0.433 1.00 0.00 N ATOM 234 CA PHE A 15 -7.263 1.173 1.399 1.00 0.00 C ATOM 235 C PHE A 15 -8.076 2.205 0.637 1.00 0.00 C ATOM 236 O PHE A 15 -9.056 2.730 1.121 1.00 0.00 O ATOM 237 CB PHE A 15 -6.087 1.827 2.120 1.00 0.00 C ATOM 238 CG PHE A 15 -5.863 1.145 3.450 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.635 -0.235 3.500 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.882 1.895 4.633 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.424 -0.865 4.731 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.672 1.264 5.864 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.444 -0.116 5.913 1.00 0.00 C ATOM 244 H PHE A 15 -5.759 0.373 0.102 1.00 0.00 H ATOM 245 HA PHE A 15 -7.879 0.647 2.092 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.199 1.733 1.514 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.305 2.870 2.284 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.620 -0.813 2.588 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.059 2.960 4.595 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.248 -1.930 4.770 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.687 1.842 6.776 1.00 0.00 H ATOM 252 HZ PHE A 15 -5.282 -0.603 6.864 1.00 0.00 H ATOM 253 N LYS A 16 -7.684 2.480 -0.569 1.00 0.00 N ATOM 254 CA LYS A 16 -8.441 3.462 -1.377 1.00 0.00 C ATOM 255 C LYS A 16 -9.559 2.740 -2.115 1.00 0.00 C ATOM 256 O LYS A 16 -10.553 3.326 -2.498 1.00 0.00 O ATOM 257 CB LYS A 16 -7.426 4.049 -2.356 1.00 0.00 C ATOM 258 CG LYS A 16 -7.973 5.353 -2.938 1.00 0.00 C ATOM 259 CD LYS A 16 -7.005 6.495 -2.624 1.00 0.00 C ATOM 260 CE LYS A 16 -7.762 7.825 -2.639 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.245 8.547 -3.834 1.00 0.00 N ATOM 262 H LYS A 16 -6.905 2.025 -0.948 1.00 0.00 H ATOM 263 HA LYS A 16 -8.835 4.232 -0.748 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.501 4.247 -1.836 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.250 3.347 -3.155 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.082 5.255 -4.008 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.934 5.570 -2.497 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.568 6.339 -1.648 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.224 6.519 -3.369 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.825 7.650 -2.733 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.549 8.389 -1.745 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.013 9.098 -4.264 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.881 7.857 -4.524 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.479 9.189 -3.548 1.00 0.00 H ATOM 275 N GLU A 17 -9.407 1.461 -2.301 1.00 0.00 N ATOM 276 CA GLU A 17 -10.459 0.685 -2.993 1.00 0.00 C ATOM 277 C GLU A 17 -11.286 -0.080 -1.972 1.00 0.00 C ATOM 278 O GLU A 17 -12.499 -0.028 -1.972 1.00 0.00 O ATOM 279 CB GLU A 17 -9.718 -0.272 -3.926 1.00 0.00 C ATOM 280 CG GLU A 17 -10.735 -1.082 -4.733 1.00 0.00 C ATOM 281 CD GLU A 17 -10.006 -2.153 -5.544 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.439 -1.809 -6.568 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.029 -3.300 -5.130 1.00 0.00 O ATOM 284 H GLU A 17 -8.605 1.009 -1.968 1.00 0.00 H ATOM 285 HA GLU A 17 -11.081 1.343 -3.553 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.092 0.295 -4.600 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.107 -0.943 -3.343 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.437 -1.553 -4.059 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.268 -0.424 -5.405 1.00 0.00 H ATOM 290 N ALA A 18 -10.634 -0.785 -1.099 1.00 0.00 N ATOM 291 CA ALA A 18 -11.366 -1.552 -0.068 1.00 0.00 C ATOM 292 C ALA A 18 -11.676 -0.652 1.127 1.00 0.00 C ATOM 293 O ALA A 18 -12.503 -0.978 1.952 1.00 0.00 O ATOM 294 CB ALA A 18 -10.405 -2.663 0.342 1.00 0.00 C ATOM 295 H ALA A 18 -9.660 -0.809 -1.120 1.00 0.00 H ATOM 296 HA ALA A 18 -12.265 -1.971 -0.479 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.562 -2.675 -0.333 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.915 -3.611 0.303 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.057 -2.479 1.347 1.00 0.00 H ATOM 300 N PHE A 19 -11.008 0.474 1.215 1.00 0.00 N ATOM 301 CA PHE A 19 -11.236 1.417 2.361 1.00 0.00 C ATOM 302 C PHE A 19 -11.632 0.648 3.632 1.00 0.00 C ATOM 303 O PHE A 19 -11.233 -0.484 3.822 1.00 0.00 O ATOM 304 CB PHE A 19 -12.358 2.352 1.899 1.00 0.00 C ATOM 305 CG PHE A 19 -13.450 1.560 1.226 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.344 0.806 1.994 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.575 1.589 -0.168 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.363 0.080 1.367 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.592 0.862 -0.794 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.486 0.107 -0.027 1.00 0.00 C ATOM 311 H PHE A 19 -10.345 0.701 0.519 1.00 0.00 H ATOM 312 HA PHE A 19 -10.344 1.990 2.549 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.767 2.875 2.747 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.957 3.071 1.199 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.248 0.783 3.069 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.884 2.171 -0.759 1.00 0.00 H ATOM 317 HE1 PHE A 19 -16.053 -0.504 1.959 1.00 0.00 H ATOM 318 HE2 PHE A 19 -14.688 0.883 -1.869 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.273 -0.453 -0.510 1.00 0.00 H HETATM 320 N NH2 A 20 -12.400 1.216 4.522 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.651 0.728 5.334 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.727 2.127 4.381 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 38 HETATM 1 C ACE A 1 12.429 -1.359 -0.479 1.00 0.00 C HETATM 2 O ACE A 1 11.477 -0.681 -0.133 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.520 -1.756 0.504 1.00 0.00 C HETATM 4 H1 ACE A 1 13.100 -1.809 1.498 1.00 0.00 H HETATM 5 H2 ACE A 1 14.310 -1.026 0.481 1.00 0.00 H HETATM 6 H3 ACE A 1 13.912 -2.725 0.227 1.00 0.00 H ATOM 7 N ASP A 2 12.527 -1.814 -1.694 1.00 0.00 N ATOM 8 CA ASP A 2 11.469 -1.500 -2.663 1.00 0.00 C ATOM 9 C ASP A 2 10.244 -2.228 -2.163 1.00 0.00 C ATOM 10 O ASP A 2 9.135 -1.764 -2.278 1.00 0.00 O ATOM 11 CB ASP A 2 11.948 -2.059 -4.005 1.00 0.00 C ATOM 12 CG ASP A 2 12.256 -3.549 -3.863 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.231 -3.873 -3.205 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.513 -4.343 -4.417 1.00 0.00 O ATOM 15 H ASP A 2 13.262 -2.391 -1.944 1.00 0.00 H ATOM 16 HA ASP A 2 11.299 -0.439 -2.721 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.176 -1.918 -4.748 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.842 -1.536 -4.312 1.00 0.00 H ATOM 19 N TRP A 3 10.477 -3.361 -1.552 1.00 0.00 N ATOM 20 CA TRP A 3 9.373 -4.152 -0.971 1.00 0.00 C ATOM 21 C TRP A 3 8.750 -3.352 0.193 1.00 0.00 C ATOM 22 O TRP A 3 7.643 -3.608 0.627 1.00 0.00 O ATOM 23 CB TRP A 3 10.040 -5.444 -0.463 1.00 0.00 C ATOM 24 CG TRP A 3 10.609 -5.173 0.883 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.372 -4.107 1.168 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.459 -5.921 2.120 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.662 -4.109 2.502 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.146 -5.224 3.141 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.801 -7.118 2.457 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.175 -5.694 4.454 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.834 -7.598 3.776 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.519 -6.888 4.772 1.00 0.00 C ATOM 33 H TRP A 3 11.395 -3.675 -1.452 1.00 0.00 H ATOM 34 HA TRP A 3 8.650 -4.382 -1.718 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.304 -6.232 -0.396 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.830 -5.738 -1.138 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.676 -3.350 0.466 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.177 -3.420 2.950 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.271 -7.673 1.697 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.704 -5.144 5.218 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.329 -8.520 4.024 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.541 -7.262 5.787 1.00 0.00 H ATOM 43 N PHE A 4 9.478 -2.379 0.695 1.00 0.00 N ATOM 44 CA PHE A 4 8.979 -1.553 1.821 1.00 0.00 C ATOM 45 C PHE A 4 7.994 -0.553 1.269 1.00 0.00 C ATOM 46 O PHE A 4 6.814 -0.586 1.560 1.00 0.00 O ATOM 47 CB PHE A 4 10.219 -0.849 2.367 1.00 0.00 C ATOM 48 CG PHE A 4 10.268 -0.991 3.868 1.00 0.00 C ATOM 49 CD1 PHE A 4 10.176 -2.258 4.454 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.410 0.146 4.674 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.223 -2.390 5.847 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.457 0.014 6.066 1.00 0.00 C ATOM 53 CZ PHE A 4 10.366 -1.254 6.652 1.00 0.00 C ATOM 54 H PHE A 4 10.355 -2.187 0.320 1.00 0.00 H ATOM 55 HA PHE A 4 8.533 -2.165 2.579 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.100 -1.298 1.937 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.180 0.197 2.105 1.00 0.00 H ATOM 58 HD1 PHE A 4 10.067 -3.132 3.832 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.482 1.125 4.221 1.00 0.00 H ATOM 60 HE1 PHE A 4 10.153 -3.367 6.300 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.566 0.889 6.689 1.00 0.00 H ATOM 62 HZ PHE A 4 10.402 -1.356 7.727 1.00 0.00 H ATOM 63 N LYS A 5 8.466 0.306 0.419 1.00 0.00 N ATOM 64 CA LYS A 5 7.541 1.268 -0.207 1.00 0.00 C ATOM 65 C LYS A 5 6.607 0.475 -1.109 1.00 0.00 C ATOM 66 O LYS A 5 5.585 0.960 -1.553 1.00 0.00 O ATOM 67 CB LYS A 5 8.411 2.229 -1.003 1.00 0.00 C ATOM 68 CG LYS A 5 8.700 3.460 -0.144 1.00 0.00 C ATOM 69 CD LYS A 5 10.191 3.513 0.185 1.00 0.00 C ATOM 70 CE LYS A 5 10.964 3.978 -1.048 1.00 0.00 C ATOM 71 NZ LYS A 5 11.366 5.377 -0.739 1.00 0.00 N ATOM 72 H LYS A 5 9.415 0.280 0.165 1.00 0.00 H ATOM 73 HA LYS A 5 6.985 1.797 0.541 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.338 1.744 -1.267 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.890 2.530 -1.896 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.415 4.352 -0.682 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.134 3.396 0.774 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.355 4.205 0.999 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.533 2.530 0.473 1.00 0.00 H ATOM 80 HE2 LYS A 5 11.836 3.357 -1.200 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.329 3.959 -1.920 1.00 0.00 H ATOM 82 HZ1 LYS A 5 12.208 5.625 -1.296 1.00 0.00 H ATOM 83 HZ2 LYS A 5 11.582 5.458 0.276 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.589 6.024 -0.982 1.00 0.00 H ATOM 85 N ALA A 6 6.939 -0.772 -1.355 1.00 0.00 N ATOM 86 CA ALA A 6 6.056 -1.617 -2.192 1.00 0.00 C ATOM 87 C ALA A 6 4.874 -2.068 -1.340 1.00 0.00 C ATOM 88 O ALA A 6 3.830 -2.425 -1.842 1.00 0.00 O ATOM 89 CB ALA A 6 6.912 -2.795 -2.609 1.00 0.00 C ATOM 90 H ALA A 6 7.760 -1.159 -0.964 1.00 0.00 H ATOM 91 HA ALA A 6 5.725 -1.076 -3.055 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.282 -3.619 -2.903 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.523 -3.083 -1.778 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.543 -2.505 -3.440 1.00 0.00 H ATOM 95 N PHE A 7 5.031 -2.036 -0.041 1.00 0.00 N ATOM 96 CA PHE A 7 3.915 -2.432 0.855 1.00 0.00 C ATOM 97 C PHE A 7 2.963 -1.248 1.014 1.00 0.00 C ATOM 98 O PHE A 7 1.774 -1.353 0.785 1.00 0.00 O ATOM 99 CB PHE A 7 4.558 -2.778 2.201 1.00 0.00 C ATOM 100 CG PHE A 7 5.135 -4.179 2.182 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.530 -5.191 1.424 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.279 -4.467 2.940 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.068 -6.483 1.423 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.815 -5.759 2.939 1.00 0.00 C ATOM 105 CZ PHE A 7 6.210 -6.768 2.180 1.00 0.00 C ATOM 106 H PHE A 7 5.878 -1.738 0.343 1.00 0.00 H ATOM 107 HA PHE A 7 3.400 -3.276 0.456 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.345 -2.072 2.408 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.808 -2.713 2.974 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.652 -4.980 0.840 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.749 -3.690 3.526 1.00 0.00 H ATOM 112 HE1 PHE A 7 4.599 -7.260 0.838 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.694 -5.979 3.525 1.00 0.00 H ATOM 114 HZ PHE A 7 6.625 -7.765 2.179 1.00 0.00 H ATOM 115 N TYR A 8 3.484 -0.115 1.393 1.00 0.00 N ATOM 116 CA TYR A 8 2.620 1.084 1.552 1.00 0.00 C ATOM 117 C TYR A 8 1.895 1.365 0.235 1.00 0.00 C ATOM 118 O TYR A 8 0.804 1.896 0.218 1.00 0.00 O ATOM 119 CB TYR A 8 3.581 2.222 1.901 1.00 0.00 C ATOM 120 CG TYR A 8 2.869 3.546 1.779 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.974 3.957 2.776 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.110 4.369 0.672 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.321 5.190 2.662 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.455 5.600 0.560 1.00 0.00 C ATOM 125 CZ TYR A 8 1.561 6.010 1.554 1.00 0.00 C ATOM 126 OH TYR A 8 0.919 7.225 1.444 1.00 0.00 O ATOM 127 H TYR A 8 4.448 -0.051 1.561 1.00 0.00 H ATOM 128 HA TYR A 8 1.911 0.936 2.350 1.00 0.00 H ATOM 129 HB2 TYR A 8 3.936 2.096 2.914 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.421 2.204 1.222 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.787 3.324 3.629 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.799 4.051 -0.097 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.630 5.507 3.430 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.639 6.233 -0.295 1.00 0.00 H ATOM 135 HH TYR A 8 1.093 7.725 2.246 1.00 0.00 H ATOM 136 N ASP A 9 2.495 1.000 -0.866 1.00 0.00 N ATOM 137 CA ASP A 9 1.839 1.233 -2.180 1.00 0.00 C ATOM 138 C ASP A 9 0.716 0.213 -2.389 1.00 0.00 C ATOM 139 O ASP A 9 -0.424 0.567 -2.620 1.00 0.00 O ATOM 140 CB ASP A 9 2.941 1.043 -3.220 1.00 0.00 C ATOM 141 CG ASP A 9 3.744 2.338 -3.356 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.724 3.124 -2.423 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.363 2.525 -4.391 1.00 0.00 O ATOM 144 H ASP A 9 3.371 0.567 -0.828 1.00 0.00 H ATOM 145 HA ASP A 9 1.456 2.232 -2.233 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.594 0.243 -2.909 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.496 0.797 -4.173 1.00 0.00 H ATOM 148 N LYS A 10 1.028 -1.050 -2.297 1.00 0.00 N ATOM 149 CA LYS A 10 -0.017 -2.097 -2.477 1.00 0.00 C ATOM 150 C LYS A 10 -1.214 -1.796 -1.574 1.00 0.00 C ATOM 151 O LYS A 10 -2.342 -1.714 -2.024 1.00 0.00 O ATOM 152 CB LYS A 10 0.649 -3.403 -2.052 1.00 0.00 C ATOM 153 CG LYS A 10 1.011 -4.229 -3.289 1.00 0.00 C ATOM 154 CD LYS A 10 2.459 -4.712 -3.173 1.00 0.00 C ATOM 155 CE LYS A 10 2.528 -6.209 -3.486 1.00 0.00 C ATOM 156 NZ LYS A 10 3.912 -6.436 -3.990 1.00 0.00 N ATOM 157 H LYS A 10 1.947 -1.310 -2.101 1.00 0.00 H ATOM 158 HA LYS A 10 -0.321 -2.158 -3.506 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.546 -3.181 -1.491 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.033 -3.965 -1.434 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.353 -5.084 -3.357 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.906 -3.621 -4.174 1.00 0.00 H ATOM 163 HD2 LYS A 10 3.076 -4.168 -3.873 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.816 -4.541 -2.169 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.352 -6.787 -2.589 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.810 -6.468 -4.249 1.00 0.00 H ATOM 167 HZ1 LYS A 10 3.942 -7.323 -4.529 1.00 0.00 H ATOM 168 HZ2 LYS A 10 4.568 -6.496 -3.184 1.00 0.00 H ATOM 169 HZ3 LYS A 10 4.190 -5.646 -4.606 1.00 0.00 H ATOM 170 N VAL A 11 -0.977 -1.637 -0.301 1.00 0.00 N ATOM 171 CA VAL A 11 -2.099 -1.351 0.634 1.00 0.00 C ATOM 172 C VAL A 11 -2.876 -0.116 0.175 1.00 0.00 C ATOM 173 O VAL A 11 -4.088 -0.130 0.125 1.00 0.00 O ATOM 174 CB VAL A 11 -1.442 -1.113 1.996 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.768 -2.403 2.474 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.392 -0.007 1.876 1.00 0.00 C ATOM 177 H VAL A 11 -0.061 -1.712 0.040 1.00 0.00 H ATOM 178 HA VAL A 11 -2.757 -2.200 0.689 1.00 0.00 H ATOM 179 HB VAL A 11 -2.197 -0.820 2.711 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.687 -2.388 3.552 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.219 -2.475 2.040 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.359 -3.253 2.168 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.345 -0.125 2.657 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.870 0.955 1.976 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.091 -0.072 0.912 1.00 0.00 H ATOM 186 N ALA A 12 -2.202 0.950 -0.167 1.00 0.00 N ATOM 187 CA ALA A 12 -2.937 2.166 -0.624 1.00 0.00 C ATOM 188 C ALA A 12 -3.951 1.782 -1.696 1.00 0.00 C ATOM 189 O ALA A 12 -5.034 2.328 -1.758 1.00 0.00 O ATOM 190 CB ALA A 12 -1.876 3.107 -1.180 1.00 0.00 C ATOM 191 H ALA A 12 -1.222 0.950 -0.128 1.00 0.00 H ATOM 192 HA ALA A 12 -3.440 2.632 0.201 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.104 2.531 -1.665 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.447 3.680 -0.370 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.331 3.777 -1.894 1.00 0.00 H ATOM 196 N GLU A 13 -3.628 0.828 -2.525 1.00 0.00 N ATOM 197 CA GLU A 13 -4.602 0.402 -3.560 1.00 0.00 C ATOM 198 C GLU A 13 -5.756 -0.314 -2.866 1.00 0.00 C ATOM 199 O GLU A 13 -6.888 -0.295 -3.313 1.00 0.00 O ATOM 200 CB GLU A 13 -3.840 -0.551 -4.477 1.00 0.00 C ATOM 201 CG GLU A 13 -3.542 0.146 -5.806 1.00 0.00 C ATOM 202 CD GLU A 13 -2.561 -0.695 -6.624 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.382 -0.659 -6.316 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.006 -1.360 -7.545 1.00 0.00 O ATOM 205 H GLU A 13 -2.763 0.380 -2.449 1.00 0.00 H ATOM 206 HA GLU A 13 -4.956 1.249 -4.115 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.914 -0.837 -4.005 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.441 -1.427 -4.660 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.462 0.268 -6.360 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.108 1.116 -5.614 1.00 0.00 H ATOM 211 N LYS A 14 -5.472 -0.930 -1.753 1.00 0.00 N ATOM 212 CA LYS A 14 -6.526 -1.632 -1.006 1.00 0.00 C ATOM 213 C LYS A 14 -7.211 -0.643 -0.080 1.00 0.00 C ATOM 214 O LYS A 14 -8.302 -0.860 0.381 1.00 0.00 O ATOM 215 CB LYS A 14 -5.792 -2.722 -0.224 1.00 0.00 C ATOM 216 CG LYS A 14 -6.716 -3.310 0.840 1.00 0.00 C ATOM 217 CD LYS A 14 -6.047 -4.531 1.475 1.00 0.00 C ATOM 218 CE LYS A 14 -6.285 -5.760 0.593 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.976 -6.471 0.562 1.00 0.00 N ATOM 220 H LYS A 14 -4.566 -0.915 -1.401 1.00 0.00 H ATOM 221 HA LYS A 14 -7.232 -2.063 -1.683 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.483 -3.503 -0.903 1.00 0.00 H ATOM 223 HB3 LYS A 14 -4.921 -2.297 0.254 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.909 -2.567 1.599 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.647 -3.610 0.384 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.985 -4.351 1.566 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.468 -4.705 2.454 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.048 -6.389 1.030 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.567 -5.459 -0.404 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.205 -5.776 0.526 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.935 -7.080 -0.282 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.878 -7.054 1.417 1.00 0.00 H ATOM 233 N PHE A 15 -6.595 0.465 0.174 1.00 0.00 N ATOM 234 CA PHE A 15 -7.252 1.462 1.037 1.00 0.00 C ATOM 235 C PHE A 15 -8.341 2.132 0.220 1.00 0.00 C ATOM 236 O PHE A 15 -9.415 2.432 0.704 1.00 0.00 O ATOM 237 CB PHE A 15 -6.164 2.459 1.417 1.00 0.00 C ATOM 238 CG PHE A 15 -5.219 1.852 2.432 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.252 0.477 2.704 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.301 2.674 3.100 1.00 0.00 C ATOM 241 CE1 PHE A 15 -4.371 -0.073 3.644 1.00 0.00 C ATOM 242 CE2 PHE A 15 -3.422 2.124 4.040 1.00 0.00 C ATOM 243 CZ PHE A 15 -3.455 0.750 4.311 1.00 0.00 C ATOM 244 H PHE A 15 -5.724 0.652 -0.221 1.00 0.00 H ATOM 245 HA PHE A 15 -7.662 0.992 1.904 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.609 2.734 0.533 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.623 3.341 1.839 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.958 -0.159 2.191 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.275 3.733 2.891 1.00 0.00 H ATOM 250 HE1 PHE A 15 -4.397 -1.134 3.852 1.00 0.00 H ATOM 251 HE2 PHE A 15 -2.716 2.760 4.555 1.00 0.00 H ATOM 252 HZ PHE A 15 -2.774 0.325 5.035 1.00 0.00 H ATOM 253 N LYS A 16 -8.068 2.338 -1.037 1.00 0.00 N ATOM 254 CA LYS A 16 -9.080 2.961 -1.923 1.00 0.00 C ATOM 255 C LYS A 16 -10.111 1.907 -2.311 1.00 0.00 C ATOM 256 O LYS A 16 -11.248 2.212 -2.613 1.00 0.00 O ATOM 257 CB LYS A 16 -8.303 3.442 -3.148 1.00 0.00 C ATOM 258 CG LYS A 16 -9.283 3.986 -4.190 1.00 0.00 C ATOM 259 CD LYS A 16 -9.021 5.478 -4.406 1.00 0.00 C ATOM 260 CE LYS A 16 -8.955 6.192 -3.053 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.574 6.746 -2.978 1.00 0.00 N ATOM 262 H LYS A 16 -7.202 2.059 -1.400 1.00 0.00 H ATOM 263 HA LYS A 16 -9.548 3.789 -1.427 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.618 4.223 -2.856 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.750 2.617 -3.572 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.146 3.456 -5.122 1.00 0.00 H ATOM 267 HG3 LYS A 16 -10.295 3.845 -3.841 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.084 5.607 -4.928 1.00 0.00 H ATOM 269 HD3 LYS A 16 -9.822 5.901 -4.994 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.685 6.988 -3.013 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.116 5.490 -2.249 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.265 7.037 -3.926 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.929 6.015 -2.612 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.563 7.569 -2.344 1.00 0.00 H ATOM 275 N GLU A 17 -9.719 0.663 -2.291 1.00 0.00 N ATOM 276 CA GLU A 17 -10.669 -0.422 -2.642 1.00 0.00 C ATOM 277 C GLU A 17 -11.336 -0.938 -1.369 1.00 0.00 C ATOM 278 O GLU A 17 -12.537 -0.853 -1.198 1.00 0.00 O ATOM 279 CB GLU A 17 -9.809 -1.510 -3.284 1.00 0.00 C ATOM 280 CG GLU A 17 -10.660 -2.757 -3.528 1.00 0.00 C ATOM 281 CD GLU A 17 -11.267 -2.695 -4.931 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.166 -1.894 -5.132 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.822 -3.450 -5.780 1.00 0.00 O ATOM 284 H GLU A 17 -8.799 0.442 -2.034 1.00 0.00 H ATOM 285 HA GLU A 17 -11.401 -0.065 -3.340 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.417 -1.151 -4.223 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.993 -1.758 -2.623 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.041 -3.638 -3.443 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.453 -2.799 -2.797 1.00 0.00 H ATOM 290 N ALA A 18 -10.555 -1.461 -0.467 1.00 0.00 N ATOM 291 CA ALA A 18 -11.122 -1.970 0.809 1.00 0.00 C ATOM 292 C ALA A 18 -12.040 -0.910 1.425 1.00 0.00 C ATOM 293 O ALA A 18 -12.970 -1.223 2.139 1.00 0.00 O ATOM 294 CB ALA A 18 -9.907 -2.228 1.702 1.00 0.00 C ATOM 295 H ALA A 18 -9.594 -1.508 -0.628 1.00 0.00 H ATOM 296 HA ALA A 18 -11.662 -2.890 0.643 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.554 -1.292 2.108 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.120 -2.681 1.113 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.180 -2.892 2.506 1.00 0.00 H ATOM 300 N PHE A 19 -11.793 0.345 1.144 1.00 0.00 N ATOM 301 CA PHE A 19 -12.658 1.413 1.703 1.00 0.00 C ATOM 302 C PHE A 19 -13.072 2.389 0.597 1.00 0.00 C ATOM 303 O PHE A 19 -12.848 2.136 -0.570 1.00 0.00 O ATOM 304 CB PHE A 19 -11.807 2.111 2.758 1.00 0.00 C ATOM 305 CG PHE A 19 -12.389 1.843 4.124 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.737 2.127 4.379 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.584 1.306 5.136 1.00 0.00 C ATOM 308 CE1 PHE A 19 -14.278 1.874 5.644 1.00 0.00 C ATOM 309 CE2 PHE A 19 -12.126 1.052 6.401 1.00 0.00 C ATOM 310 CZ PHE A 19 -13.473 1.337 6.656 1.00 0.00 C ATOM 311 H PHE A 19 -11.046 0.584 0.562 1.00 0.00 H ATOM 312 HA PHE A 19 -13.520 0.981 2.161 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.799 1.730 2.715 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.802 3.174 2.573 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.357 2.542 3.599 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.545 1.088 4.941 1.00 0.00 H ATOM 317 HE1 PHE A 19 -15.319 2.094 5.841 1.00 0.00 H ATOM 318 HE2 PHE A 19 -11.504 0.639 7.180 1.00 0.00 H ATOM 319 HZ PHE A 19 -13.892 1.141 7.632 1.00 0.00 H HETATM 320 N NH2 A 20 -13.676 3.502 0.914 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.949 4.129 0.210 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.859 3.712 1.854 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 39 HETATM 1 C ACE A 1 12.319 -0.446 -0.807 1.00 0.00 C HETATM 2 O ACE A 1 11.316 0.229 -0.688 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.379 -0.493 0.281 1.00 0.00 C HETATM 4 H1 ACE A 1 13.906 -1.435 0.222 1.00 0.00 H HETATM 5 H2 ACE A 1 12.902 -0.409 1.246 1.00 0.00 H HETATM 6 H3 ACE A 1 14.070 0.321 0.145 1.00 0.00 H ATOM 7 N ASP A 2 12.506 -1.201 -1.846 1.00 0.00 N ATOM 8 CA ASP A 2 11.487 -1.247 -2.905 1.00 0.00 C ATOM 9 C ASP A 2 10.366 -2.080 -2.333 1.00 0.00 C ATOM 10 O ASP A 2 9.204 -1.851 -2.577 1.00 0.00 O ATOM 11 CB ASP A 2 12.149 -1.944 -4.094 1.00 0.00 C ATOM 12 CG ASP A 2 12.643 -3.328 -3.665 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.240 -3.419 -2.606 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.413 -4.271 -4.403 1.00 0.00 O ATOM 15 H ASP A 2 13.285 -1.773 -1.897 1.00 0.00 H ATOM 16 HA ASP A 2 11.155 -0.259 -3.165 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.433 -2.049 -4.896 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.988 -1.356 -4.435 1.00 0.00 H ATOM 19 N TRP A 3 10.747 -3.025 -1.517 1.00 0.00 N ATOM 20 CA TRP A 3 9.770 -3.893 -0.835 1.00 0.00 C ATOM 21 C TRP A 3 9.022 -3.059 0.213 1.00 0.00 C ATOM 22 O TRP A 3 7.959 -3.419 0.670 1.00 0.00 O ATOM 23 CB TRP A 3 10.637 -4.947 -0.142 1.00 0.00 C ATOM 24 CG TRP A 3 11.574 -4.210 0.746 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.194 -3.515 1.832 1.00 0.00 C ATOM 26 CD2 TRP A 3 13.018 -4.059 0.646 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.279 -2.882 2.361 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.445 -3.210 1.695 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.987 -4.556 -0.243 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.787 -2.865 1.855 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.341 -4.218 -0.080 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.740 -3.374 0.967 1.00 0.00 C ATOM 33 H TRP A 3 11.698 -3.142 -1.329 1.00 0.00 H ATOM 34 HA TRP A 3 9.111 -4.345 -1.534 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.015 -5.611 0.441 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.194 -5.509 -0.877 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.179 -3.416 2.188 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.243 -2.288 3.124 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.690 -5.207 -1.052 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.089 -2.215 2.664 1.00 0.00 H ATOM 41 HZ3 TRP A 3 16.079 -4.609 -0.764 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.782 -3.118 1.088 1.00 0.00 H ATOM 43 N PHE A 4 9.608 -1.949 0.606 1.00 0.00 N ATOM 44 CA PHE A 4 8.989 -1.073 1.635 1.00 0.00 C ATOM 45 C PHE A 4 7.892 -0.269 0.966 1.00 0.00 C ATOM 46 O PHE A 4 6.731 -0.371 1.304 1.00 0.00 O ATOM 47 CB PHE A 4 10.143 -0.182 2.128 1.00 0.00 C ATOM 48 CG PHE A 4 9.648 1.211 2.451 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.106 1.489 3.711 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.736 2.222 1.486 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.651 2.780 4.006 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.280 3.512 1.781 1.00 0.00 C ATOM 53 CZ PHE A 4 8.738 3.792 3.042 1.00 0.00 C ATOM 54 H PHE A 4 10.471 -1.696 0.228 1.00 0.00 H ATOM 55 HA PHE A 4 8.600 -1.660 2.444 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.575 -0.620 3.015 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.899 -0.123 1.358 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.039 0.710 4.455 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.154 2.006 0.514 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.233 2.995 4.979 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.348 4.292 1.038 1.00 0.00 H ATOM 62 HZ PHE A 4 8.387 4.787 3.270 1.00 0.00 H ATOM 63 N LYS A 5 8.252 0.489 -0.020 1.00 0.00 N ATOM 64 CA LYS A 5 7.227 1.251 -0.756 1.00 0.00 C ATOM 65 C LYS A 5 6.369 0.243 -1.521 1.00 0.00 C ATOM 66 O LYS A 5 5.325 0.567 -2.054 1.00 0.00 O ATOM 67 CB LYS A 5 8.006 2.154 -1.716 1.00 0.00 C ATOM 68 CG LYS A 5 7.043 2.784 -2.725 1.00 0.00 C ATOM 69 CD LYS A 5 7.302 4.290 -2.805 1.00 0.00 C ATOM 70 CE LYS A 5 7.410 4.715 -4.272 1.00 0.00 C ATOM 71 NZ LYS A 5 8.873 4.766 -4.553 1.00 0.00 N ATOM 72 H LYS A 5 9.190 0.521 -0.299 1.00 0.00 H ATOM 73 HA LYS A 5 6.630 1.838 -0.081 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.501 2.934 -1.155 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.743 1.567 -2.243 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.199 2.338 -3.697 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.026 2.612 -2.407 1.00 0.00 H ATOM 78 HD2 LYS A 5 6.488 4.821 -2.334 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.226 4.523 -2.296 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.927 3.986 -4.909 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.972 5.691 -4.415 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.345 3.969 -4.084 1.00 0.00 H ATOM 83 HZ2 LYS A 5 9.262 5.662 -4.194 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.031 4.705 -5.579 1.00 0.00 H ATOM 85 N ALA A 6 6.817 -0.993 -1.570 1.00 0.00 N ATOM 86 CA ALA A 6 6.049 -2.040 -2.295 1.00 0.00 C ATOM 87 C ALA A 6 4.895 -2.560 -1.435 1.00 0.00 C ATOM 88 O ALA A 6 3.821 -2.841 -1.930 1.00 0.00 O ATOM 89 CB ALA A 6 7.064 -3.141 -2.557 1.00 0.00 C ATOM 90 H ALA A 6 7.667 -1.233 -1.127 1.00 0.00 H ATOM 91 HA ALA A 6 5.685 -1.659 -3.225 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.743 -3.195 -1.724 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.619 -2.910 -3.456 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.558 -4.085 -2.674 1.00 0.00 H ATOM 95 N PHE A 7 5.102 -2.695 -0.154 1.00 0.00 N ATOM 96 CA PHE A 7 4.011 -3.197 0.719 1.00 0.00 C ATOM 97 C PHE A 7 3.095 -2.041 1.126 1.00 0.00 C ATOM 98 O PHE A 7 1.885 -2.158 1.102 1.00 0.00 O ATOM 99 CB PHE A 7 4.713 -3.829 1.933 1.00 0.00 C ATOM 100 CG PHE A 7 5.065 -2.771 2.956 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.063 -2.217 3.759 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.392 -2.351 3.105 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.384 -1.241 4.710 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.714 -1.375 4.056 1.00 0.00 C ATOM 105 CZ PHE A 7 5.710 -0.819 4.858 1.00 0.00 C ATOM 106 H PHE A 7 5.967 -2.469 0.229 1.00 0.00 H ATOM 107 HA PHE A 7 3.448 -3.945 0.195 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.055 -4.556 2.385 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.616 -4.322 1.604 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.043 -2.540 3.644 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.168 -2.782 2.489 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.609 -0.814 5.329 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.738 -1.049 4.170 1.00 0.00 H ATOM 114 HZ PHE A 7 5.959 -0.066 5.591 1.00 0.00 H ATOM 115 N TYR A 8 3.660 -0.920 1.481 1.00 0.00 N ATOM 116 CA TYR A 8 2.819 0.240 1.868 1.00 0.00 C ATOM 117 C TYR A 8 2.036 0.724 0.649 1.00 0.00 C ATOM 118 O TYR A 8 0.962 1.282 0.765 1.00 0.00 O ATOM 119 CB TYR A 8 3.800 1.309 2.343 1.00 0.00 C ATOM 120 CG TYR A 8 3.059 2.358 3.139 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.406 3.405 2.477 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.023 2.283 4.537 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.718 4.377 3.213 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.335 3.255 5.272 1.00 0.00 C ATOM 125 CZ TYR A 8 1.683 4.302 4.610 1.00 0.00 C ATOM 126 OH TYR A 8 1.003 5.260 5.335 1.00 0.00 O ATOM 127 H TYR A 8 4.632 -0.841 1.483 1.00 0.00 H ATOM 128 HA TYR A 8 2.153 -0.029 2.666 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.554 0.852 2.966 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.270 1.771 1.488 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.433 3.463 1.399 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.526 1.474 5.047 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.214 5.185 2.703 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.308 3.197 6.350 1.00 0.00 H ATOM 135 HH TYR A 8 0.420 5.730 4.734 1.00 0.00 H ATOM 136 N ASP A 9 2.563 0.501 -0.525 1.00 0.00 N ATOM 137 CA ASP A 9 1.849 0.932 -1.754 1.00 0.00 C ATOM 138 C ASP A 9 0.703 -0.040 -2.045 1.00 0.00 C ATOM 139 O ASP A 9 -0.421 0.358 -2.274 1.00 0.00 O ATOM 140 CB ASP A 9 2.899 0.878 -2.865 1.00 0.00 C ATOM 141 CG ASP A 9 2.221 1.079 -4.222 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.041 1.388 -4.234 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.895 0.919 -5.227 1.00 0.00 O ATOM 144 H ASP A 9 3.424 0.042 -0.599 1.00 0.00 H ATOM 145 HA ASP A 9 1.480 1.934 -1.641 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.629 1.659 -2.708 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.391 -0.084 -2.850 1.00 0.00 H ATOM 148 N LYS A 10 0.985 -1.314 -2.027 1.00 0.00 N ATOM 149 CA LYS A 10 -0.079 -2.321 -2.292 1.00 0.00 C ATOM 150 C LYS A 10 -1.250 -2.126 -1.326 1.00 0.00 C ATOM 151 O LYS A 10 -2.384 -1.965 -1.733 1.00 0.00 O ATOM 152 CB LYS A 10 0.588 -3.671 -2.051 1.00 0.00 C ATOM 153 CG LYS A 10 0.345 -4.585 -3.255 1.00 0.00 C ATOM 154 CD LYS A 10 0.165 -6.027 -2.774 1.00 0.00 C ATOM 155 CE LYS A 10 -0.347 -6.889 -3.930 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.010 -8.288 -3.546 1.00 0.00 N ATOM 157 H LYS A 10 1.900 -1.609 -1.835 1.00 0.00 H ATOM 158 HA LYS A 10 -0.413 -2.257 -3.311 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.648 -3.525 -1.916 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.168 -4.124 -1.168 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.546 -4.265 -3.774 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.191 -4.532 -3.923 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.114 -6.411 -2.428 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.549 -6.050 -1.966 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.417 -6.774 -4.037 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.155 -6.626 -4.848 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.746 -8.932 -3.899 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.046 -8.358 -2.509 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.906 -8.550 -3.962 1.00 0.00 H ATOM 170 N VAL A 11 -0.987 -2.144 -0.046 1.00 0.00 N ATOM 171 CA VAL A 11 -2.088 -1.966 0.943 1.00 0.00 C ATOM 172 C VAL A 11 -2.864 -0.678 0.651 1.00 0.00 C ATOM 173 O VAL A 11 -4.079 -0.668 0.637 1.00 0.00 O ATOM 174 CB VAL A 11 -1.397 -1.882 2.304 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.720 -3.219 2.615 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.345 -0.770 2.279 1.00 0.00 C ATOM 177 H VAL A 11 -0.066 -2.279 0.264 1.00 0.00 H ATOM 178 HA VAL A 11 -2.750 -2.815 0.919 1.00 0.00 H ATOM 179 HB VAL A 11 -2.133 -1.667 3.067 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.064 -3.582 3.573 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.350 -3.082 2.646 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.971 -3.936 1.848 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.144 -0.758 1.317 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.386 -0.948 3.053 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.825 0.182 2.450 1.00 0.00 H ATOM 186 N ALA A 12 -2.179 0.406 0.418 1.00 0.00 N ATOM 187 CA ALA A 12 -2.889 1.682 0.127 1.00 0.00 C ATOM 188 C ALA A 12 -3.808 1.508 -1.075 1.00 0.00 C ATOM 189 O ALA A 12 -4.823 2.165 -1.189 1.00 0.00 O ATOM 190 CB ALA A 12 -1.792 2.696 -0.166 1.00 0.00 C ATOM 191 H ALA A 12 -1.200 0.383 0.432 1.00 0.00 H ATOM 192 HA ALA A 12 -3.458 1.995 0.979 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.228 3.570 -0.627 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.067 2.256 -0.832 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.312 2.978 0.759 1.00 0.00 H ATOM 196 N GLU A 13 -3.477 0.619 -1.965 1.00 0.00 N ATOM 197 CA GLU A 13 -4.357 0.402 -3.135 1.00 0.00 C ATOM 198 C GLU A 13 -5.580 -0.386 -2.686 1.00 0.00 C ATOM 199 O GLU A 13 -6.663 -0.255 -3.229 1.00 0.00 O ATOM 200 CB GLU A 13 -3.526 -0.401 -4.133 1.00 0.00 C ATOM 201 CG GLU A 13 -2.355 0.448 -4.629 1.00 0.00 C ATOM 202 CD GLU A 13 -2.413 0.557 -6.154 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.863 -0.311 -6.811 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.006 1.507 -6.638 1.00 0.00 O ATOM 205 H GLU A 13 -2.665 0.087 -1.855 1.00 0.00 H ATOM 206 HA GLU A 13 -4.649 1.340 -3.555 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.149 -1.290 -3.651 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.146 -0.681 -4.972 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.417 1.435 -4.193 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.425 -0.017 -4.338 1.00 0.00 H ATOM 211 N LYS A 14 -5.421 -1.179 -1.666 1.00 0.00 N ATOM 212 CA LYS A 14 -6.562 -1.946 -1.153 1.00 0.00 C ATOM 213 C LYS A 14 -7.414 -1.013 -0.325 1.00 0.00 C ATOM 214 O LYS A 14 -8.608 -1.139 -0.274 1.00 0.00 O ATOM 215 CB LYS A 14 -5.958 -3.049 -0.290 1.00 0.00 C ATOM 216 CG LYS A 14 -6.376 -4.416 -0.836 1.00 0.00 C ATOM 217 CD LYS A 14 -5.349 -4.895 -1.863 1.00 0.00 C ATOM 218 CE LYS A 14 -6.078 -5.474 -3.077 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.009 -5.728 -4.081 1.00 0.00 N ATOM 220 H LYS A 14 -4.562 -1.243 -1.220 1.00 0.00 H ATOM 221 HA LYS A 14 -7.125 -2.365 -1.958 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.882 -2.968 -0.308 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.312 -2.945 0.722 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.432 -5.125 -0.024 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.343 -4.333 -1.309 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.734 -4.062 -2.173 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.727 -5.658 -1.421 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.574 -6.397 -2.810 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.789 -4.761 -3.465 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.099 -5.856 -3.595 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.944 -4.916 -4.731 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.236 -6.587 -4.620 1.00 0.00 H ATOM 233 N PHE A 15 -6.797 -0.047 0.300 1.00 0.00 N ATOM 234 CA PHE A 15 -7.571 0.923 1.109 1.00 0.00 C ATOM 235 C PHE A 15 -8.330 1.845 0.169 1.00 0.00 C ATOM 236 O PHE A 15 -9.401 2.329 0.474 1.00 0.00 O ATOM 237 CB PHE A 15 -6.539 1.700 1.920 1.00 0.00 C ATOM 238 CG PHE A 15 -6.513 1.185 3.340 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.080 -0.120 3.605 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.921 2.013 4.392 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.054 -0.595 4.922 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.895 1.538 5.708 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.462 0.234 5.974 1.00 0.00 C ATOM 244 H PHE A 15 -5.826 0.051 0.213 1.00 0.00 H ATOM 245 HA PHE A 15 -8.246 0.410 1.758 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.565 1.572 1.474 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.802 2.747 1.923 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.765 -0.760 2.795 1.00 0.00 H ATOM 249 HD2 PHE A 15 -7.255 3.021 4.188 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.720 -1.602 5.127 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.209 2.178 6.520 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.441 -0.132 6.989 1.00 0.00 H ATOM 253 N LYS A 16 -7.783 2.069 -0.989 1.00 0.00 N ATOM 254 CA LYS A 16 -8.471 2.935 -1.974 1.00 0.00 C ATOM 255 C LYS A 16 -9.693 2.195 -2.513 1.00 0.00 C ATOM 256 O LYS A 16 -10.703 2.787 -2.835 1.00 0.00 O ATOM 257 CB LYS A 16 -7.449 3.175 -3.080 1.00 0.00 C ATOM 258 CG LYS A 16 -7.021 4.644 -3.068 1.00 0.00 C ATOM 259 CD LYS A 16 -8.015 5.471 -3.885 1.00 0.00 C ATOM 260 CE LYS A 16 -7.250 6.413 -4.819 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.571 5.931 -6.191 1.00 0.00 N ATOM 262 H LYS A 16 -6.926 1.651 -1.215 1.00 0.00 H ATOM 263 HA LYS A 16 -8.754 3.865 -1.524 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.588 2.547 -2.912 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.893 2.939 -4.034 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.001 5.005 -2.050 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.037 4.735 -3.503 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.638 4.810 -4.470 1.00 0.00 H ATOM 269 HD3 LYS A 16 -8.633 6.053 -3.218 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.589 7.431 -4.684 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.189 6.340 -4.640 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.517 6.726 -6.858 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.532 5.533 -6.201 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.888 5.200 -6.471 1.00 0.00 H ATOM 275 N GLU A 17 -9.604 0.894 -2.599 1.00 0.00 N ATOM 276 CA GLU A 17 -10.755 0.098 -3.101 1.00 0.00 C ATOM 277 C GLU A 17 -11.505 -0.534 -1.926 1.00 0.00 C ATOM 278 O GLU A 17 -12.597 -1.048 -2.073 1.00 0.00 O ATOM 279 CB GLU A 17 -10.133 -0.981 -3.988 1.00 0.00 C ATOM 280 CG GLU A 17 -9.450 -2.032 -3.111 1.00 0.00 C ATOM 281 CD GLU A 17 -8.493 -2.870 -3.963 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.934 -3.872 -4.502 1.00 0.00 O ATOM 283 OE2 GLU A 17 -7.337 -2.495 -4.061 1.00 0.00 O ATOM 284 H GLU A 17 -8.783 0.440 -2.324 1.00 0.00 H ATOM 285 HA GLU A 17 -11.408 0.720 -3.678 1.00 0.00 H ATOM 286 HB2 GLU A 17 -10.906 -1.450 -4.578 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.402 -0.531 -4.641 1.00 0.00 H ATOM 288 HG2 GLU A 17 -8.896 -1.540 -2.325 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.198 -2.678 -2.674 1.00 0.00 H ATOM 290 N ALA A 18 -10.919 -0.497 -0.763 1.00 0.00 N ATOM 291 CA ALA A 18 -11.571 -1.089 0.434 1.00 0.00 C ATOM 292 C ALA A 18 -12.412 -0.031 1.142 1.00 0.00 C ATOM 293 O ALA A 18 -13.310 -0.338 1.902 1.00 0.00 O ATOM 294 CB ALA A 18 -10.414 -1.541 1.330 1.00 0.00 C ATOM 295 H ALA A 18 -10.045 -0.080 -0.678 1.00 0.00 H ATOM 296 HA ALA A 18 -12.172 -1.933 0.153 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.793 -1.842 2.292 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.718 -0.721 1.456 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.902 -2.372 0.865 1.00 0.00 H ATOM 300 N PHE A 19 -12.120 1.216 0.899 1.00 0.00 N ATOM 301 CA PHE A 19 -12.886 2.307 1.553 1.00 0.00 C ATOM 302 C PHE A 19 -13.502 3.235 0.502 1.00 0.00 C ATOM 303 O PHE A 19 -13.174 4.402 0.434 1.00 0.00 O ATOM 304 CB PHE A 19 -11.862 3.058 2.395 1.00 0.00 C ATOM 305 CG PHE A 19 -11.984 2.630 3.836 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.209 2.761 4.505 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.874 2.104 4.507 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.321 2.366 5.842 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.986 1.711 5.845 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.210 1.841 6.513 1.00 0.00 C ATOM 311 H PHE A 19 -11.393 1.434 0.290 1.00 0.00 H ATOM 312 HA PHE A 19 -13.642 1.897 2.183 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.870 2.835 2.035 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.045 4.118 2.319 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.066 3.166 3.986 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.930 2.003 3.992 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.265 2.466 6.358 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.130 1.304 6.363 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.297 1.537 7.546 1.00 0.00 H HETATM 320 N NH2 A 20 -14.390 2.761 -0.326 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.790 3.345 -1.002 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.655 1.819 -0.273 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 40 HETATM 1 C ACE A 1 12.369 -0.397 -0.551 1.00 0.00 C HETATM 2 O ACE A 1 11.298 0.127 -0.310 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.477 -0.447 0.490 1.00 0.00 C HETATM 4 H1 ACE A 1 13.237 0.224 1.299 1.00 0.00 H HETATM 5 H2 ACE A 1 14.409 -0.154 0.036 1.00 0.00 H HETATM 6 H3 ACE A 1 13.561 -1.457 0.870 1.00 0.00 H ATOM 7 N ASP A 2 12.597 -0.977 -1.693 1.00 0.00 N ATOM 8 CA ASP A 2 11.539 -1.000 -2.714 1.00 0.00 C ATOM 9 C ASP A 2 10.467 -1.901 -2.156 1.00 0.00 C ATOM 10 O ASP A 2 9.292 -1.691 -2.340 1.00 0.00 O ATOM 11 CB ASP A 2 12.177 -1.604 -3.963 1.00 0.00 C ATOM 12 CG ASP A 2 13.273 -0.670 -4.479 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.947 -0.069 -3.659 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.418 -0.570 -5.686 1.00 0.00 O ATOM 15 H ASP A 2 13.435 -1.428 -1.855 1.00 0.00 H ATOM 16 HA ASP A 2 11.164 -0.013 -2.908 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.606 -2.564 -3.720 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.424 -1.726 -4.727 1.00 0.00 H ATOM 19 N TRP A 3 10.902 -2.893 -1.425 1.00 0.00 N ATOM 20 CA TRP A 3 9.965 -3.833 -0.779 1.00 0.00 C ATOM 21 C TRP A 3 9.187 -3.086 0.321 1.00 0.00 C ATOM 22 O TRP A 3 8.189 -3.560 0.818 1.00 0.00 O ATOM 23 CB TRP A 3 10.869 -4.922 -0.163 1.00 0.00 C ATOM 24 CG TRP A 3 11.349 -4.426 1.159 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.817 -3.183 1.360 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.400 -5.100 2.449 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.083 -3.014 2.688 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.877 -4.175 3.408 1.00 0.00 C ATOM 29 CE3 TRP A 3 11.075 -6.398 2.883 1.00 0.00 C ATOM 30 CZ2 TRP A 3 12.027 -4.524 4.750 1.00 0.00 C ATOM 31 CZ3 TRP A 3 11.230 -6.755 4.233 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.705 -5.819 5.164 1.00 0.00 C ATOM 33 H TRP A 3 11.863 -3.000 -1.281 1.00 0.00 H ATOM 34 HA TRP A 3 9.310 -4.258 -1.500 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.304 -5.833 -0.030 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.713 -5.106 -0.810 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.917 -2.422 0.605 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.392 -2.184 3.083 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.707 -7.126 2.174 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.393 -3.800 5.463 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.984 -7.756 4.556 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.824 -6.100 6.200 1.00 0.00 H ATOM 43 N PHE A 4 9.668 -1.923 0.702 1.00 0.00 N ATOM 44 CA PHE A 4 9.009 -1.129 1.770 1.00 0.00 C ATOM 45 C PHE A 4 7.880 -0.341 1.149 1.00 0.00 C ATOM 46 O PHE A 4 6.728 -0.526 1.472 1.00 0.00 O ATOM 47 CB PHE A 4 10.097 -0.197 2.297 1.00 0.00 C ATOM 48 CG PHE A 4 9.930 -0.003 3.786 1.00 0.00 C ATOM 49 CD1 PHE A 4 10.279 -1.030 4.669 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.432 1.209 4.280 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.129 -0.846 6.049 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.282 1.392 5.660 1.00 0.00 C ATOM 53 CZ PHE A 4 9.631 0.364 6.544 1.00 0.00 C ATOM 54 H PHE A 4 10.472 -1.572 0.283 1.00 0.00 H ATOM 55 HA PHE A 4 8.655 -1.769 2.550 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.064 -0.632 2.100 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.021 0.757 1.801 1.00 0.00 H ATOM 58 HD1 PHE A 4 10.662 -1.964 4.287 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.164 2.001 3.598 1.00 0.00 H ATOM 60 HE1 PHE A 4 10.398 -1.638 6.732 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.898 2.326 6.042 1.00 0.00 H ATOM 62 HZ PHE A 4 9.515 0.506 7.608 1.00 0.00 H ATOM 63 N LYS A 5 8.201 0.499 0.213 1.00 0.00 N ATOM 64 CA LYS A 5 7.133 1.244 -0.477 1.00 0.00 C ATOM 65 C LYS A 5 6.365 0.243 -1.337 1.00 0.00 C ATOM 66 O LYS A 5 5.324 0.541 -1.885 1.00 0.00 O ATOM 67 CB LYS A 5 7.846 2.286 -1.334 1.00 0.00 C ATOM 68 CG LYS A 5 6.869 3.408 -1.698 1.00 0.00 C ATOM 69 CD LYS A 5 6.470 4.178 -0.435 1.00 0.00 C ATOM 70 CE LYS A 5 7.372 5.403 -0.275 1.00 0.00 C ATOM 71 NZ LYS A 5 6.662 6.276 0.701 1.00 0.00 N ATOM 72 H LYS A 5 9.134 0.599 -0.062 1.00 0.00 H ATOM 73 HA LYS A 5 6.485 1.717 0.234 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.676 2.698 -0.779 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.210 1.821 -2.236 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.343 4.083 -2.396 1.00 0.00 H ATOM 77 HG3 LYS A 5 5.986 2.982 -2.151 1.00 0.00 H ATOM 78 HD2 LYS A 5 5.440 4.497 -0.518 1.00 0.00 H ATOM 79 HD3 LYS A 5 6.579 3.539 0.428 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.338 5.108 0.113 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.483 5.914 -1.218 1.00 0.00 H ATOM 82 HZ1 LYS A 5 5.937 6.832 0.206 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.346 6.920 1.151 1.00 0.00 H ATOM 84 HZ3 LYS A 5 6.208 5.688 1.428 1.00 0.00 H ATOM 85 N ALA A 6 6.879 -0.964 -1.438 1.00 0.00 N ATOM 86 CA ALA A 6 6.190 -2.007 -2.236 1.00 0.00 C ATOM 87 C ALA A 6 5.007 -2.553 -1.440 1.00 0.00 C ATOM 88 O ALA A 6 3.916 -2.694 -1.952 1.00 0.00 O ATOM 89 CB ALA A 6 7.246 -3.080 -2.457 1.00 0.00 C ATOM 90 H ALA A 6 7.719 -1.188 -0.976 1.00 0.00 H ATOM 91 HA ALA A 6 5.865 -1.613 -3.175 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.822 -2.840 -3.340 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.771 -4.038 -2.584 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.902 -3.109 -1.603 1.00 0.00 H ATOM 95 N PHE A 7 5.209 -2.843 -0.183 1.00 0.00 N ATOM 96 CA PHE A 7 4.085 -3.354 0.643 1.00 0.00 C ATOM 97 C PHE A 7 3.152 -2.192 0.993 1.00 0.00 C ATOM 98 O PHE A 7 1.939 -2.321 0.991 1.00 0.00 O ATOM 99 CB PHE A 7 4.735 -3.972 1.896 1.00 0.00 C ATOM 100 CG PHE A 7 5.155 -2.904 2.893 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.184 -2.175 3.591 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.516 -2.659 3.137 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.568 -1.203 4.522 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.896 -1.685 4.068 1.00 0.00 C ATOM 105 CZ PHE A 7 5.924 -0.957 4.760 1.00 0.00 C ATOM 106 H PHE A 7 6.090 -2.711 0.217 1.00 0.00 H ATOM 107 HA PHE A 7 3.547 -4.108 0.098 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.027 -4.635 2.370 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.604 -4.540 1.599 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.142 -2.360 3.406 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.272 -3.219 2.609 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.816 -0.642 5.059 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.943 -1.496 4.252 1.00 0.00 H ATOM 114 HZ PHE A 7 6.219 -0.208 5.479 1.00 0.00 H ATOM 115 N TYR A 8 3.717 -1.051 1.273 1.00 0.00 N ATOM 116 CA TYR A 8 2.895 0.137 1.611 1.00 0.00 C ATOM 117 C TYR A 8 2.112 0.588 0.379 1.00 0.00 C ATOM 118 O TYR A 8 1.062 1.191 0.482 1.00 0.00 O ATOM 119 CB TYR A 8 3.906 1.203 2.031 1.00 0.00 C ATOM 120 CG TYR A 8 3.174 2.461 2.432 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.518 2.527 3.666 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.153 3.562 1.568 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.840 3.694 4.036 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.476 4.729 1.938 1.00 0.00 C ATOM 125 CZ TYR A 8 1.819 4.795 3.173 1.00 0.00 C ATOM 126 OH TYR A 8 1.153 5.946 3.539 1.00 0.00 O ATOM 127 H TYR A 8 4.688 -0.976 1.252 1.00 0.00 H ATOM 128 HA TYR A 8 2.233 -0.084 2.427 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.483 0.839 2.869 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.566 1.419 1.205 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.535 1.678 4.333 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.660 3.510 0.614 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.334 3.747 4.988 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.460 5.579 1.270 1.00 0.00 H ATOM 135 HH TYR A 8 1.145 5.990 4.498 1.00 0.00 H ATOM 136 N ASP A 9 2.613 0.290 -0.788 1.00 0.00 N ATOM 137 CA ASP A 9 1.899 0.687 -2.029 1.00 0.00 C ATOM 138 C ASP A 9 0.697 -0.230 -2.250 1.00 0.00 C ATOM 139 O ASP A 9 -0.437 0.205 -2.269 1.00 0.00 O ATOM 140 CB ASP A 9 2.918 0.512 -3.149 1.00 0.00 C ATOM 141 CG ASP A 9 3.620 1.845 -3.411 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.989 2.870 -3.214 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.774 1.819 -3.804 1.00 0.00 O ATOM 144 H ASP A 9 3.454 -0.201 -0.848 1.00 0.00 H ATOM 145 HA ASP A 9 1.592 1.712 -1.972 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.646 -0.229 -2.857 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.414 0.190 -4.045 1.00 0.00 H ATOM 148 N LYS A 10 0.941 -1.500 -2.413 1.00 0.00 N ATOM 149 CA LYS A 10 -0.183 -2.453 -2.628 1.00 0.00 C ATOM 150 C LYS A 10 -1.289 -2.216 -1.592 1.00 0.00 C ATOM 151 O LYS A 10 -2.452 -2.092 -1.929 1.00 0.00 O ATOM 152 CB LYS A 10 0.432 -3.837 -2.448 1.00 0.00 C ATOM 153 CG LYS A 10 0.233 -4.656 -3.726 1.00 0.00 C ATOM 154 CD LYS A 10 1.594 -5.091 -4.273 1.00 0.00 C ATOM 155 CE LYS A 10 1.686 -6.621 -4.266 1.00 0.00 C ATOM 156 NZ LYS A 10 0.558 -7.086 -5.126 1.00 0.00 N ATOM 157 H LYS A 10 1.866 -1.828 -2.393 1.00 0.00 H ATOM 158 HA LYS A 10 -0.574 -2.356 -3.624 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.488 -3.735 -2.247 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.049 -4.338 -1.623 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.363 -5.529 -3.504 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.273 -4.054 -4.465 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.708 -4.729 -5.285 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.378 -4.683 -3.654 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.633 -6.938 -4.680 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.567 -7.000 -3.263 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.147 -6.278 -5.635 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.171 -7.528 -4.529 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.912 -7.781 -5.813 1.00 0.00 H ATOM 170 N VAL A 11 -0.943 -2.156 -0.332 1.00 0.00 N ATOM 171 CA VAL A 11 -1.991 -1.934 0.709 1.00 0.00 C ATOM 172 C VAL A 11 -2.784 -0.657 0.414 1.00 0.00 C ATOM 173 O VAL A 11 -3.997 -0.640 0.487 1.00 0.00 O ATOM 174 CB VAL A 11 -1.232 -1.796 2.029 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.517 -3.110 2.351 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.203 -0.671 1.909 1.00 0.00 C ATOM 177 H VAL A 11 -0.001 -2.263 -0.070 1.00 0.00 H ATOM 178 HA VAL A 11 -2.654 -2.781 0.754 1.00 0.00 H ATOM 179 HB VAL A 11 -1.930 -1.564 2.820 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.428 -3.702 1.451 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.087 -3.658 3.088 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.468 -2.898 2.742 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.279 -0.726 0.945 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.535 -0.775 2.688 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.700 0.283 2.008 1.00 0.00 H ATOM 186 N ALA A 12 -2.113 0.414 0.091 1.00 0.00 N ATOM 187 CA ALA A 12 -2.840 1.684 -0.195 1.00 0.00 C ATOM 188 C ALA A 12 -3.847 1.479 -1.317 1.00 0.00 C ATOM 189 O ALA A 12 -4.858 2.146 -1.378 1.00 0.00 O ATOM 190 CB ALA A 12 -1.764 2.678 -0.609 1.00 0.00 C ATOM 191 H ALA A 12 -1.135 0.387 0.043 1.00 0.00 H ATOM 192 HA ALA A 12 -3.340 2.034 0.684 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.924 2.972 -1.633 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.794 2.216 -0.512 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.817 3.547 0.029 1.00 0.00 H ATOM 196 N GLU A 13 -3.595 0.560 -2.199 1.00 0.00 N ATOM 197 CA GLU A 13 -4.563 0.327 -3.294 1.00 0.00 C ATOM 198 C GLU A 13 -5.756 -0.455 -2.752 1.00 0.00 C ATOM 199 O GLU A 13 -6.866 -0.345 -3.242 1.00 0.00 O ATOM 200 CB GLU A 13 -3.807 -0.474 -4.348 1.00 0.00 C ATOM 201 CG GLU A 13 -3.132 0.485 -5.331 1.00 0.00 C ATOM 202 CD GLU A 13 -1.614 0.393 -5.176 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.029 -0.488 -5.785 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.061 1.204 -4.450 1.00 0.00 O ATOM 205 H GLU A 13 -2.781 0.022 -2.138 1.00 0.00 H ATOM 206 HA GLU A 13 -4.886 1.261 -3.701 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.058 -1.083 -3.865 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.498 -1.106 -4.882 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.408 0.220 -6.341 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.451 1.495 -5.124 1.00 0.00 H ATOM 211 N LYS A 14 -5.546 -1.217 -1.716 1.00 0.00 N ATOM 212 CA LYS A 14 -6.662 -1.968 -1.128 1.00 0.00 C ATOM 213 C LYS A 14 -7.454 -1.010 -0.265 1.00 0.00 C ATOM 214 O LYS A 14 -8.646 -1.129 -0.127 1.00 0.00 O ATOM 215 CB LYS A 14 -6.016 -3.069 -0.289 1.00 0.00 C ATOM 216 CG LYS A 14 -7.095 -4.027 0.222 1.00 0.00 C ATOM 217 CD LYS A 14 -7.075 -5.313 -0.609 1.00 0.00 C ATOM 218 CE LYS A 14 -8.384 -6.077 -0.396 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.982 -7.361 0.242 1.00 0.00 N ATOM 220 H LYS A 14 -4.666 -1.267 -1.308 1.00 0.00 H ATOM 221 HA LYS A 14 -7.277 -2.387 -1.897 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.309 -3.614 -0.898 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.504 -2.627 0.551 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.902 -4.265 1.258 1.00 0.00 H ATOM 225 HG3 LYS A 14 -8.064 -3.559 0.135 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.968 -5.065 -1.655 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.247 -5.931 -0.298 1.00 0.00 H ATOM 228 HE2 LYS A 14 -9.041 -5.520 0.257 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.866 -6.269 -1.343 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.170 -7.764 -0.270 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -8.780 -8.028 0.209 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.712 -7.189 1.231 1.00 0.00 H ATOM 233 N PHE A 15 -6.791 -0.029 0.284 1.00 0.00 N ATOM 234 CA PHE A 15 -7.503 0.967 1.112 1.00 0.00 C ATOM 235 C PHE A 15 -8.303 1.874 0.194 1.00 0.00 C ATOM 236 O PHE A 15 -9.359 2.366 0.542 1.00 0.00 O ATOM 237 CB PHE A 15 -6.415 1.751 1.839 1.00 0.00 C ATOM 238 CG PHE A 15 -6.541 1.541 3.330 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.805 1.414 3.916 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.391 1.476 4.124 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.920 1.221 5.297 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.505 1.283 5.506 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.770 1.156 6.093 1.00 0.00 C ATOM 244 H PHE A 15 -5.829 0.063 0.125 1.00 0.00 H ATOM 245 HA PHE A 15 -8.142 0.480 1.812 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.447 1.407 1.508 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.521 2.801 1.614 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.693 1.465 3.303 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.415 1.575 3.672 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.896 1.123 5.750 1.00 0.00 H ATOM 251 HE2 PHE A 15 -4.618 1.234 6.120 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.859 1.007 7.158 1.00 0.00 H ATOM 253 N LYS A 16 -7.811 2.078 -0.994 1.00 0.00 N ATOM 254 CA LYS A 16 -8.545 2.931 -1.958 1.00 0.00 C ATOM 255 C LYS A 16 -9.809 2.197 -2.410 1.00 0.00 C ATOM 256 O LYS A 16 -10.825 2.801 -2.692 1.00 0.00 O ATOM 257 CB LYS A 16 -7.585 3.138 -3.126 1.00 0.00 C ATOM 258 CG LYS A 16 -7.355 4.636 -3.342 1.00 0.00 C ATOM 259 CD LYS A 16 -5.895 4.986 -3.038 1.00 0.00 C ATOM 260 CE LYS A 16 -5.375 5.972 -4.088 1.00 0.00 C ATOM 261 NZ LYS A 16 -4.099 5.378 -4.578 1.00 0.00 N ATOM 262 H LYS A 16 -6.965 1.654 -1.252 1.00 0.00 H ATOM 263 HA LYS A 16 -8.792 3.871 -1.511 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.645 2.656 -2.903 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.011 2.708 -4.018 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.579 4.888 -4.369 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.001 5.198 -2.685 1.00 0.00 H ATOM 268 HD2 LYS A 16 -5.832 5.436 -2.058 1.00 0.00 H ATOM 269 HD3 LYS A 16 -5.296 4.088 -3.062 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.086 6.064 -4.899 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.186 6.936 -3.641 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -3.935 5.672 -5.562 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -4.160 4.341 -4.530 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -3.313 5.708 -3.985 1.00 0.00 H ATOM 275 N GLU A 17 -9.754 0.892 -2.465 1.00 0.00 N ATOM 276 CA GLU A 17 -10.951 0.116 -2.879 1.00 0.00 C ATOM 277 C GLU A 17 -11.650 -0.457 -1.645 1.00 0.00 C ATOM 278 O GLU A 17 -12.763 -0.941 -1.712 1.00 0.00 O ATOM 279 CB GLU A 17 -10.418 -1.008 -3.767 1.00 0.00 C ATOM 280 CG GLU A 17 -11.593 -1.759 -4.398 1.00 0.00 C ATOM 281 CD GLU A 17 -12.317 -0.839 -5.384 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.656 -0.307 -6.261 1.00 0.00 O ATOM 283 OE2 GLU A 17 -13.519 -0.683 -5.246 1.00 0.00 O ATOM 284 H GLU A 17 -8.929 0.424 -2.223 1.00 0.00 H ATOM 285 HA GLU A 17 -11.619 0.740 -3.435 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.800 -0.586 -4.546 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.835 -1.692 -3.171 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.224 -2.629 -4.921 1.00 0.00 H ATOM 289 HG3 GLU A 17 -12.280 -2.066 -3.625 1.00 0.00 H ATOM 290 N ALA A 18 -10.998 -0.405 -0.518 1.00 0.00 N ATOM 291 CA ALA A 18 -11.600 -0.939 0.728 1.00 0.00 C ATOM 292 C ALA A 18 -12.463 0.135 1.397 1.00 0.00 C ATOM 293 O ALA A 18 -13.353 -0.160 2.168 1.00 0.00 O ATOM 294 CB ALA A 18 -10.401 -1.302 1.607 1.00 0.00 C ATOM 295 H ALA A 18 -10.106 -0.014 -0.491 1.00 0.00 H ATOM 296 HA ALA A 18 -12.180 -1.817 0.515 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.708 -0.473 1.625 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.903 -2.170 1.194 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.732 -1.518 2.608 1.00 0.00 H ATOM 300 N PHE A 19 -12.201 1.381 1.106 1.00 0.00 N ATOM 301 CA PHE A 19 -13.004 2.477 1.723 1.00 0.00 C ATOM 302 C PHE A 19 -14.501 2.238 1.498 1.00 0.00 C ATOM 303 O PHE A 19 -15.281 2.262 2.429 1.00 0.00 O ATOM 304 CB PHE A 19 -12.552 3.752 1.013 1.00 0.00 C ATOM 305 CG PHE A 19 -11.326 4.319 1.697 1.00 0.00 C ATOM 306 CD1 PHE A 19 -10.602 3.540 2.609 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.910 5.626 1.413 1.00 0.00 C ATOM 308 CE1 PHE A 19 -9.467 4.067 3.237 1.00 0.00 C ATOM 309 CE2 PHE A 19 -9.775 6.152 2.039 1.00 0.00 C ATOM 310 CZ PHE A 19 -9.053 5.373 2.952 1.00 0.00 C ATOM 311 H PHE A 19 -11.476 1.596 0.481 1.00 0.00 H ATOM 312 HA PHE A 19 -12.790 2.551 2.774 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.316 3.525 -0.015 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.349 4.481 1.048 1.00 0.00 H ATOM 315 HD1 PHE A 19 -10.920 2.532 2.831 1.00 0.00 H ATOM 316 HD2 PHE A 19 -11.467 6.229 0.710 1.00 0.00 H ATOM 317 HE1 PHE A 19 -8.912 3.466 3.940 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.455 7.160 1.821 1.00 0.00 H ATOM 319 HZ PHE A 19 -8.178 5.779 3.434 1.00 0.00 H HETATM 320 N NH2 A 20 -14.937 2.007 0.289 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -15.893 1.853 0.136 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.310 1.988 -0.463 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 41 HETATM 1 C ACE A 1 12.224 -0.410 -0.825 1.00 0.00 C HETATM 2 O ACE A 1 11.200 -0.002 -0.311 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.462 -0.696 0.010 1.00 0.00 C HETATM 4 H1 ACE A 1 14.037 0.207 0.122 1.00 0.00 H HETATM 5 H2 ACE A 1 14.056 -1.449 -0.483 1.00 0.00 H HETATM 6 H3 ACE A 1 13.159 -1.059 0.981 1.00 0.00 H ATOM 7 N ASP A 2 12.286 -0.663 -2.100 1.00 0.00 N ATOM 8 CA ASP A 2 11.094 -0.451 -2.932 1.00 0.00 C ATOM 9 C ASP A 2 10.097 -1.507 -2.503 1.00 0.00 C ATOM 10 O ASP A 2 8.913 -1.309 -2.557 1.00 0.00 O ATOM 11 CB ASP A 2 11.550 -0.664 -4.381 1.00 0.00 C ATOM 12 CG ASP A 2 11.779 -2.155 -4.633 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.816 -2.652 -4.226 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.912 -2.774 -5.227 1.00 0.00 O ATOM 15 H ASP A 2 13.089 -1.031 -2.493 1.00 0.00 H ATOM 16 HA ASP A 2 10.700 0.539 -2.795 1.00 0.00 H ATOM 17 HB2 ASP A 2 10.789 -0.300 -5.055 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.470 -0.127 -4.553 1.00 0.00 H ATOM 19 N TRP A 3 10.606 -2.627 -2.049 1.00 0.00 N ATOM 20 CA TRP A 3 9.736 -3.732 -1.577 1.00 0.00 C ATOM 21 C TRP A 3 8.975 -3.298 -0.312 1.00 0.00 C ATOM 22 O TRP A 3 7.947 -3.851 0.036 1.00 0.00 O ATOM 23 CB TRP A 3 10.701 -4.896 -1.274 1.00 0.00 C ATOM 24 CG TRP A 3 11.384 -4.638 0.029 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.831 -3.433 0.420 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.712 -5.562 1.108 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.352 -3.528 1.679 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.329 -4.826 2.148 1.00 0.00 C ATOM 29 CE3 TRP A 3 11.531 -6.944 1.291 1.00 0.00 C ATOM 30 CZ2 TRP A 3 12.750 -5.438 3.330 1.00 0.00 C ATOM 31 CZ3 TRP A 3 11.957 -7.565 2.477 1.00 0.00 C ATOM 32 CH2 TRP A 3 12.566 -6.813 3.494 1.00 0.00 C ATOM 33 H TRP A 3 11.574 -2.733 -2.013 1.00 0.00 H ATOM 34 HA TRP A 3 9.057 -4.013 -2.348 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.147 -5.821 -1.214 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.440 -4.967 -2.059 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.756 -2.529 -0.147 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.707 -2.777 2.183 1.00 0.00 H ATOM 39 HE3 TRP A 3 11.064 -7.530 0.514 1.00 0.00 H ATOM 40 HZ2 TRP A 3 13.217 -4.854 4.108 1.00 0.00 H ATOM 41 HZ3 TRP A 3 11.816 -8.627 2.606 1.00 0.00 H ATOM 42 HH2 TRP A 3 12.893 -7.296 4.403 1.00 0.00 H ATOM 43 N PHE A 4 9.458 -2.287 0.358 1.00 0.00 N ATOM 44 CA PHE A 4 8.768 -1.798 1.574 1.00 0.00 C ATOM 45 C PHE A 4 7.748 -0.774 1.131 1.00 0.00 C ATOM 46 O PHE A 4 6.557 -0.953 1.292 1.00 0.00 O ATOM 47 CB PHE A 4 9.854 -1.170 2.435 1.00 0.00 C ATOM 48 CG PHE A 4 9.776 -1.749 3.827 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.666 -1.478 4.634 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.809 -2.561 4.309 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.589 -2.016 5.925 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.733 -3.100 5.599 1.00 0.00 C ATOM 53 CZ PHE A 4 9.623 -2.828 6.406 1.00 0.00 C ATOM 54 H PHE A 4 10.255 -1.833 0.045 1.00 0.00 H ATOM 55 HA PHE A 4 8.305 -2.609 2.091 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.820 -1.387 2.006 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.706 -0.103 2.480 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.867 -0.852 4.263 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.665 -2.771 3.687 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.732 -1.806 6.546 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.531 -3.726 5.969 1.00 0.00 H ATOM 62 HZ PHE A 4 9.564 -3.243 7.400 1.00 0.00 H ATOM 63 N LYS A 5 8.197 0.266 0.493 1.00 0.00 N ATOM 64 CA LYS A 5 7.233 1.238 -0.039 1.00 0.00 C ATOM 65 C LYS A 5 6.320 0.457 -0.980 1.00 0.00 C ATOM 66 O LYS A 5 5.217 0.865 -1.286 1.00 0.00 O ATOM 67 CB LYS A 5 8.061 2.272 -0.795 1.00 0.00 C ATOM 68 CG LYS A 5 7.373 3.635 -0.718 1.00 0.00 C ATOM 69 CD LYS A 5 7.274 4.237 -2.118 1.00 0.00 C ATOM 70 CE LYS A 5 6.361 3.367 -2.982 1.00 0.00 C ATOM 71 NZ LYS A 5 6.940 3.451 -4.350 1.00 0.00 N ATOM 72 H LYS A 5 9.154 0.367 0.316 1.00 0.00 H ATOM 73 HA LYS A 5 6.674 1.702 0.753 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.042 2.337 -0.349 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.152 1.973 -1.828 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.381 3.514 -0.308 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.947 4.294 -0.085 1.00 0.00 H ATOM 78 HD2 LYS A 5 6.864 5.234 -2.051 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.257 4.279 -2.564 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.371 2.345 -2.627 1.00 0.00 H ATOM 81 HE3 LYS A 5 5.355 3.756 -2.979 1.00 0.00 H ATOM 82 HZ1 LYS A 5 7.924 3.120 -4.331 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.912 4.439 -4.676 1.00 0.00 H ATOM 84 HZ3 LYS A 5 6.388 2.856 -4.998 1.00 0.00 H ATOM 85 N ALA A 6 6.779 -0.701 -1.416 1.00 0.00 N ATOM 86 CA ALA A 6 5.944 -1.546 -2.310 1.00 0.00 C ATOM 87 C ALA A 6 4.838 -2.187 -1.481 1.00 0.00 C ATOM 88 O ALA A 6 3.777 -2.502 -1.978 1.00 0.00 O ATOM 89 CB ALA A 6 6.880 -2.611 -2.874 1.00 0.00 C ATOM 90 H ALA A 6 7.666 -1.021 -1.134 1.00 0.00 H ATOM 91 HA ALA A 6 5.534 -0.960 -3.106 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.418 -2.202 -3.716 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.305 -3.464 -3.191 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.581 -2.909 -2.113 1.00 0.00 H ATOM 95 N PHE A 7 5.083 -2.372 -0.211 1.00 0.00 N ATOM 96 CA PHE A 7 4.051 -2.974 0.667 1.00 0.00 C ATOM 97 C PHE A 7 3.032 -1.910 1.052 1.00 0.00 C ATOM 98 O PHE A 7 1.853 -2.029 0.783 1.00 0.00 O ATOM 99 CB PHE A 7 4.811 -3.445 1.908 1.00 0.00 C ATOM 100 CG PHE A 7 5.763 -4.562 1.549 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.710 -5.155 0.282 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.693 -5.014 2.493 1.00 0.00 C ATOM 103 CE1 PHE A 7 6.583 -6.194 -0.042 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.568 -6.052 2.168 1.00 0.00 C ATOM 105 CZ PHE A 7 7.514 -6.646 0.901 1.00 0.00 C ATOM 106 H PHE A 7 5.946 -2.108 0.168 1.00 0.00 H ATOM 107 HA PHE A 7 3.576 -3.798 0.181 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.370 -2.620 2.319 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.105 -3.800 2.643 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.999 -4.806 -0.447 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.740 -4.558 3.470 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.534 -6.647 -1.019 1.00 0.00 H ATOM 113 HE2 PHE A 7 8.281 -6.399 2.897 1.00 0.00 H ATOM 114 HZ PHE A 7 8.190 -7.449 0.651 1.00 0.00 H ATOM 115 N TYR A 8 3.487 -0.863 1.674 1.00 0.00 N ATOM 116 CA TYR A 8 2.559 0.225 2.080 1.00 0.00 C ATOM 117 C TYR A 8 1.776 0.714 0.862 1.00 0.00 C ATOM 118 O TYR A 8 0.656 1.173 0.970 1.00 0.00 O ATOM 119 CB TYR A 8 3.465 1.323 2.622 1.00 0.00 C ATOM 120 CG TYR A 8 2.750 2.065 3.723 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.244 1.363 4.824 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.588 3.452 3.640 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.580 2.052 5.845 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.924 4.139 4.662 1.00 0.00 C ATOM 125 CZ TYR A 8 1.419 3.439 5.763 1.00 0.00 C ATOM 126 OH TYR A 8 0.763 4.118 6.770 1.00 0.00 O ATOM 127 H TYR A 8 4.447 -0.792 1.869 1.00 0.00 H ATOM 128 HA TYR A 8 1.894 -0.116 2.851 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.366 0.877 3.016 1.00 0.00 H ATOM 130 HB3 TYR A 8 3.714 2.007 1.828 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.369 0.293 4.888 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.977 3.992 2.790 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.190 1.512 6.695 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.798 5.210 4.598 1.00 0.00 H ATOM 135 HH TYR A 8 -0.172 4.133 6.556 1.00 0.00 H ATOM 136 N ASP A 9 2.360 0.600 -0.298 1.00 0.00 N ATOM 137 CA ASP A 9 1.667 1.035 -1.538 1.00 0.00 C ATOM 138 C ASP A 9 0.625 -0.011 -1.931 1.00 0.00 C ATOM 139 O ASP A 9 -0.488 0.306 -2.298 1.00 0.00 O ATOM 140 CB ASP A 9 2.771 1.116 -2.591 1.00 0.00 C ATOM 141 CG ASP A 9 2.186 1.632 -3.906 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.002 1.927 -3.930 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.931 1.724 -4.867 1.00 0.00 O ATOM 144 H ASP A 9 3.256 0.216 -0.355 1.00 0.00 H ATOM 145 HA ASP A 9 1.215 1.999 -1.400 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.545 1.788 -2.252 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.188 0.133 -2.747 1.00 0.00 H ATOM 148 N LYS A 10 0.985 -1.261 -1.840 1.00 0.00 N ATOM 149 CA LYS A 10 0.031 -2.345 -2.189 1.00 0.00 C ATOM 150 C LYS A 10 -1.142 -2.329 -1.214 1.00 0.00 C ATOM 151 O LYS A 10 -2.281 -2.142 -1.595 1.00 0.00 O ATOM 152 CB LYS A 10 0.827 -3.638 -2.036 1.00 0.00 C ATOM 153 CG LYS A 10 0.017 -4.802 -2.608 1.00 0.00 C ATOM 154 CD LYS A 10 0.500 -5.113 -4.025 1.00 0.00 C ATOM 155 CE LYS A 10 0.555 -6.628 -4.225 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.843 -7.098 -4.015 1.00 0.00 N ATOM 157 H LYS A 10 1.881 -1.486 -1.534 1.00 0.00 H ATOM 158 HA LYS A 10 -0.309 -2.238 -3.202 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.763 -3.551 -2.570 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.022 -3.819 -0.991 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.147 -5.673 -1.984 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.028 -4.533 -2.639 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.182 -4.678 -4.740 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.486 -4.697 -4.168 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.887 -6.863 -5.227 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.209 -7.080 -3.495 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.880 -8.132 -4.109 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.466 -6.661 -4.725 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -1.161 -6.829 -3.062 1.00 0.00 H ATOM 170 N VAL A 11 -0.868 -2.506 0.048 1.00 0.00 N ATOM 171 CA VAL A 11 -1.961 -2.484 1.053 1.00 0.00 C ATOM 172 C VAL A 11 -2.771 -1.194 0.874 1.00 0.00 C ATOM 173 O VAL A 11 -3.987 -1.192 0.941 1.00 0.00 O ATOM 174 CB VAL A 11 -1.247 -2.548 2.406 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.722 -3.970 2.615 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.059 -1.581 2.429 1.00 0.00 C ATOM 177 H VAL A 11 0.061 -2.642 0.335 1.00 0.00 H ATOM 178 HA VAL A 11 -2.597 -3.345 0.930 1.00 0.00 H ATOM 179 HB VAL A 11 -1.941 -2.294 3.196 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.324 -4.011 2.341 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.280 -4.653 1.993 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.834 -4.252 3.652 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.055 -1.123 1.460 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.842 -2.129 2.672 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.227 -0.819 3.172 1.00 0.00 H ATOM 186 N ALA A 12 -2.107 -0.107 0.593 1.00 0.00 N ATOM 187 CA ALA A 12 -2.838 1.163 0.350 1.00 0.00 C ATOM 188 C ALA A 12 -3.661 1.002 -0.917 1.00 0.00 C ATOM 189 O ALA A 12 -4.679 1.634 -1.097 1.00 0.00 O ATOM 190 CB ALA A 12 -1.763 2.227 0.173 1.00 0.00 C ATOM 191 H ALA A 12 -1.136 -0.134 0.507 1.00 0.00 H ATOM 192 HA ALA A 12 -3.473 1.407 1.176 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.164 1.992 -0.693 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.137 2.249 1.052 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.231 3.188 0.039 1.00 0.00 H ATOM 196 N GLU A 13 -3.244 0.126 -1.784 1.00 0.00 N ATOM 197 CA GLU A 13 -4.027 -0.110 -3.013 1.00 0.00 C ATOM 198 C GLU A 13 -5.357 -0.720 -2.597 1.00 0.00 C ATOM 199 O GLU A 13 -6.382 -0.538 -3.232 1.00 0.00 O ATOM 200 CB GLU A 13 -3.200 -1.095 -3.832 1.00 0.00 C ATOM 201 CG GLU A 13 -3.172 -0.657 -5.294 1.00 0.00 C ATOM 202 CD GLU A 13 -4.357 -1.281 -6.032 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.432 -0.706 -5.978 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.169 -2.323 -6.639 1.00 0.00 O ATOM 205 H GLU A 13 -2.435 -0.395 -1.608 1.00 0.00 H ATOM 206 HA GLU A 13 -4.172 0.803 -3.551 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.194 -1.121 -3.444 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.643 -2.075 -3.759 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.238 0.420 -5.350 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.252 -0.987 -5.752 1.00 0.00 H ATOM 211 N LYS A 14 -5.350 -1.412 -1.492 1.00 0.00 N ATOM 212 CA LYS A 14 -6.591 -2.003 -0.983 1.00 0.00 C ATOM 213 C LYS A 14 -7.340 -0.911 -0.254 1.00 0.00 C ATOM 214 O LYS A 14 -8.548 -0.908 -0.192 1.00 0.00 O ATOM 215 CB LYS A 14 -6.154 -3.106 -0.026 1.00 0.00 C ATOM 216 CG LYS A 14 -7.308 -4.086 0.185 1.00 0.00 C ATOM 217 CD LYS A 14 -6.773 -5.368 0.825 1.00 0.00 C ATOM 218 CE LYS A 14 -7.705 -6.530 0.482 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.881 -7.754 0.678 1.00 0.00 N ATOM 220 H LYS A 14 -4.533 -1.508 -0.978 1.00 0.00 H ATOM 221 HA LYS A 14 -7.173 -2.407 -1.786 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.309 -3.631 -0.448 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.875 -2.670 0.919 1.00 0.00 H ATOM 224 HG2 LYS A 14 -8.048 -3.638 0.833 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.758 -4.322 -0.768 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.785 -5.573 0.443 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.729 -5.247 1.896 1.00 0.00 H ATOM 228 HE2 LYS A 14 -8.557 -6.536 1.148 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.026 -6.463 -0.545 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -6.821 -7.973 1.692 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.925 -7.592 0.299 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.321 -8.551 0.178 1.00 0.00 H ATOM 233 N PHE A 15 -6.625 0.050 0.270 1.00 0.00 N ATOM 234 CA PHE A 15 -7.311 1.169 0.957 1.00 0.00 C ATOM 235 C PHE A 15 -8.153 1.887 -0.080 1.00 0.00 C ATOM 236 O PHE A 15 -9.256 2.321 0.182 1.00 0.00 O ATOM 237 CB PHE A 15 -6.214 2.087 1.502 1.00 0.00 C ATOM 238 CG PHE A 15 -5.692 1.589 2.838 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.475 0.761 3.660 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.411 1.972 3.258 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.974 0.321 4.891 1.00 0.00 C ATOM 242 CE2 PHE A 15 -3.914 1.532 4.492 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.695 0.706 5.306 1.00 0.00 C ATOM 244 H PHE A 15 -5.645 0.044 0.181 1.00 0.00 H ATOM 245 HA PHE A 15 -7.927 0.802 1.738 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.401 2.125 0.798 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.620 3.080 1.629 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.461 0.461 3.350 1.00 0.00 H ATOM 249 HD2 PHE A 15 -3.804 2.610 2.631 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.576 -0.318 5.522 1.00 0.00 H ATOM 251 HE2 PHE A 15 -2.927 1.830 4.813 1.00 0.00 H ATOM 252 HZ PHE A 15 -4.311 0.367 6.258 1.00 0.00 H ATOM 253 N LYS A 16 -7.648 1.978 -1.273 1.00 0.00 N ATOM 254 CA LYS A 16 -8.435 2.628 -2.350 1.00 0.00 C ATOM 255 C LYS A 16 -9.617 1.719 -2.683 1.00 0.00 C ATOM 256 O LYS A 16 -10.709 2.163 -2.967 1.00 0.00 O ATOM 257 CB LYS A 16 -7.485 2.751 -3.544 1.00 0.00 C ATOM 258 CG LYS A 16 -8.290 2.980 -4.828 1.00 0.00 C ATOM 259 CD LYS A 16 -7.837 4.278 -5.497 1.00 0.00 C ATOM 260 CE LYS A 16 -9.049 5.185 -5.729 1.00 0.00 C ATOM 261 NZ LYS A 16 -9.612 4.754 -7.040 1.00 0.00 N ATOM 262 H LYS A 16 -6.765 1.597 -1.461 1.00 0.00 H ATOM 263 HA LYS A 16 -8.771 3.597 -2.030 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.816 3.585 -3.386 1.00 0.00 H ATOM 265 HB3 LYS A 16 -6.910 1.844 -3.641 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.126 2.153 -5.505 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.342 3.046 -4.590 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.125 4.784 -4.858 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.374 4.052 -6.445 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.776 5.046 -4.941 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.741 6.218 -5.780 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -10.650 4.795 -7.002 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -9.310 3.780 -7.245 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -9.271 5.390 -7.789 1.00 0.00 H ATOM 275 N GLU A 17 -9.415 0.436 -2.608 1.00 0.00 N ATOM 276 CA GLU A 17 -10.537 -0.497 -2.875 1.00 0.00 C ATOM 277 C GLU A 17 -11.258 -0.777 -1.561 1.00 0.00 C ATOM 278 O GLU A 17 -12.208 -1.531 -1.494 1.00 0.00 O ATOM 279 CB GLU A 17 -9.902 -1.766 -3.436 1.00 0.00 C ATOM 280 CG GLU A 17 -10.157 -1.840 -4.943 1.00 0.00 C ATOM 281 CD GLU A 17 -11.539 -2.444 -5.199 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.501 -1.696 -5.201 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.611 -3.648 -5.393 1.00 0.00 O ATOM 284 H GLU A 17 -8.537 0.089 -2.341 1.00 0.00 H ATOM 285 HA GLU A 17 -11.206 -0.069 -3.586 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.841 -1.749 -3.249 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.342 -2.626 -2.957 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.114 -0.846 -5.365 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.403 -2.460 -5.405 1.00 0.00 H ATOM 290 N ALA A 18 -10.786 -0.165 -0.513 1.00 0.00 N ATOM 291 CA ALA A 18 -11.374 -0.349 0.826 1.00 0.00 C ATOM 292 C ALA A 18 -12.402 0.746 1.097 1.00 0.00 C ATOM 293 O ALA A 18 -13.349 0.563 1.836 1.00 0.00 O ATOM 294 CB ALA A 18 -10.172 -0.168 1.746 1.00 0.00 C ATOM 295 H ALA A 18 -10.017 0.422 -0.605 1.00 0.00 H ATOM 296 HA ALA A 18 -11.793 -1.329 0.937 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.499 -1.005 1.635 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.501 -0.097 2.767 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.659 0.740 1.471 1.00 0.00 H ATOM 300 N PHE A 19 -12.192 1.895 0.523 1.00 0.00 N ATOM 301 CA PHE A 19 -13.121 3.030 0.761 1.00 0.00 C ATOM 302 C PHE A 19 -13.973 3.346 -0.473 1.00 0.00 C ATOM 303 O PHE A 19 -14.269 4.491 -0.752 1.00 0.00 O ATOM 304 CB PHE A 19 -12.210 4.202 1.137 1.00 0.00 C ATOM 305 CG PHE A 19 -11.511 4.788 -0.072 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.436 4.088 -1.286 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.916 6.050 0.039 1.00 0.00 C ATOM 308 CE1 PHE A 19 -10.775 4.657 -2.379 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.255 6.611 -1.052 1.00 0.00 C ATOM 310 CZ PHE A 19 -10.185 5.917 -2.262 1.00 0.00 C ATOM 311 H PHE A 19 -11.409 2.014 -0.044 1.00 0.00 H ATOM 312 HA PHE A 19 -13.758 2.799 1.588 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.801 4.974 1.603 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.465 3.856 1.839 1.00 0.00 H ATOM 315 HD1 PHE A 19 -11.887 3.114 -1.383 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.973 6.591 0.970 1.00 0.00 H ATOM 317 HE1 PHE A 19 -10.719 4.122 -3.312 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.797 7.580 -0.959 1.00 0.00 H ATOM 319 HZ PHE A 19 -9.675 6.351 -3.107 1.00 0.00 H HETATM 320 N NH2 A 20 -14.396 2.366 -1.221 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.957 2.554 -2.003 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.158 1.443 -0.999 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 42 HETATM 1 C ACE A 1 11.791 -1.463 -1.163 1.00 0.00 C HETATM 2 O ACE A 1 10.931 -0.751 -0.695 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.175 -1.538 -0.542 1.00 0.00 C HETATM 4 H1 ACE A 1 13.660 -0.579 -0.622 1.00 0.00 H HETATM 5 H2 ACE A 1 13.757 -2.287 -1.056 1.00 0.00 H HETATM 6 H3 ACE A 1 13.078 -1.813 0.501 1.00 0.00 H ATOM 7 N ASP A 2 11.554 -2.232 -2.187 1.00 0.00 N ATOM 8 CA ASP A 2 10.207 -2.244 -2.804 1.00 0.00 C ATOM 9 C ASP A 2 9.238 -2.855 -1.797 1.00 0.00 C ATOM 10 O ASP A 2 8.051 -2.914 -1.995 1.00 0.00 O ATOM 11 CB ASP A 2 10.333 -3.126 -4.043 1.00 0.00 C ATOM 12 CG ASP A 2 10.156 -2.273 -5.301 1.00 0.00 C ATOM 13 OD1 ASP A 2 9.693 -1.150 -5.173 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.486 -2.756 -6.371 1.00 0.00 O ATOM 15 H ASP A 2 12.248 -2.824 -2.521 1.00 0.00 H ATOM 16 HA ASP A 2 9.902 -1.255 -3.079 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.308 -3.588 -4.053 1.00 0.00 H ATOM 18 HB3 ASP A 2 9.569 -3.887 -4.018 1.00 0.00 H ATOM 19 N TRP A 3 9.747 -3.325 -0.708 1.00 0.00 N ATOM 20 CA TRP A 3 8.877 -3.929 0.316 1.00 0.00 C ATOM 21 C TRP A 3 8.442 -2.797 1.209 1.00 0.00 C ATOM 22 O TRP A 3 7.344 -2.753 1.708 1.00 0.00 O ATOM 23 CB TRP A 3 9.764 -4.973 1.003 1.00 0.00 C ATOM 24 CG TRP A 3 10.598 -5.573 -0.076 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.166 -5.760 -1.341 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.974 -6.011 -0.045 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.195 -6.232 -2.102 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.338 -6.435 -1.345 1.00 0.00 C ATOM 29 CE3 TRP A 3 12.928 -6.074 0.970 1.00 0.00 C ATOM 30 CZ2 TRP A 3 13.618 -6.909 -1.622 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.218 -6.556 0.702 1.00 0.00 C ATOM 32 CH2 TRP A 3 14.565 -6.971 -0.595 1.00 0.00 C ATOM 33 H TRP A 3 10.705 -3.292 -0.555 1.00 0.00 H ATOM 34 HA TRP A 3 8.044 -4.398 -0.146 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.392 -4.496 1.742 1.00 0.00 H ATOM 36 HB3 TRP A 3 9.154 -5.735 1.466 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.177 -5.523 -1.706 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.132 -6.417 -3.055 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.661 -5.754 1.964 1.00 0.00 H ATOM 40 HZ2 TRP A 3 13.879 -7.218 -2.622 1.00 0.00 H ATOM 41 HZ3 TRP A 3 14.946 -6.604 1.494 1.00 0.00 H ATOM 42 HH2 TRP A 3 15.559 -7.340 -0.797 1.00 0.00 H ATOM 43 N PHE A 4 9.286 -1.826 1.336 1.00 0.00 N ATOM 44 CA PHE A 4 8.914 -0.642 2.121 1.00 0.00 C ATOM 45 C PHE A 4 8.018 0.245 1.250 1.00 0.00 C ATOM 46 O PHE A 4 7.004 0.759 1.687 1.00 0.00 O ATOM 47 CB PHE A 4 10.234 0.054 2.440 1.00 0.00 C ATOM 48 CG PHE A 4 10.185 0.609 3.844 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.247 1.594 4.172 1.00 0.00 C ATOM 50 CD2 PHE A 4 11.075 0.137 4.817 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.197 2.107 5.472 1.00 0.00 C ATOM 52 CE2 PHE A 4 11.026 0.650 6.118 1.00 0.00 C ATOM 53 CZ PHE A 4 10.086 1.635 6.445 1.00 0.00 C ATOM 54 H PHE A 4 10.146 -1.855 0.868 1.00 0.00 H ATOM 55 HA PHE A 4 8.422 -0.932 3.019 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.041 -0.659 2.362 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.392 0.858 1.741 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.561 1.957 3.419 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.799 -0.623 4.561 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.473 2.868 5.724 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.711 0.288 6.869 1.00 0.00 H ATOM 62 HZ PHE A 4 10.048 2.032 7.450 1.00 0.00 H ATOM 63 N LYS A 5 8.404 0.422 0.012 1.00 0.00 N ATOM 64 CA LYS A 5 7.625 1.279 -0.918 1.00 0.00 C ATOM 65 C LYS A 5 6.572 0.498 -1.723 1.00 0.00 C ATOM 66 O LYS A 5 5.468 0.977 -1.898 1.00 0.00 O ATOM 67 CB LYS A 5 8.668 1.868 -1.861 1.00 0.00 C ATOM 68 CG LYS A 5 9.181 3.192 -1.292 1.00 0.00 C ATOM 69 CD LYS A 5 10.325 2.917 -0.315 1.00 0.00 C ATOM 70 CE LYS A 5 9.840 3.157 1.117 1.00 0.00 C ATOM 71 NZ LYS A 5 9.806 4.640 1.280 1.00 0.00 N ATOM 72 H LYS A 5 9.220 -0.001 -0.301 1.00 0.00 H ATOM 73 HA LYS A 5 7.160 2.073 -0.374 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.490 1.177 -1.965 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.220 2.045 -2.827 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.537 3.818 -2.098 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.380 3.693 -0.772 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.650 1.892 -0.420 1.00 0.00 H ATOM 79 HD3 LYS A 5 11.150 3.579 -0.529 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.851 2.739 1.250 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.530 2.724 1.827 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.830 4.944 1.471 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.146 5.095 0.408 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.414 4.917 2.076 1.00 0.00 H ATOM 85 N ALA A 6 6.871 -0.670 -2.247 1.00 0.00 N ATOM 86 CA ALA A 6 5.821 -1.363 -3.045 1.00 0.00 C ATOM 87 C ALA A 6 4.732 -1.925 -2.136 1.00 0.00 C ATOM 88 O ALA A 6 3.609 -2.110 -2.560 1.00 0.00 O ATOM 89 CB ALA A 6 6.514 -2.470 -3.830 1.00 0.00 C ATOM 90 H ALA A 6 7.762 -1.074 -2.136 1.00 0.00 H ATOM 91 HA ALA A 6 5.388 -0.668 -3.737 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.420 -3.403 -3.296 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.557 -2.223 -3.951 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.050 -2.562 -4.801 1.00 0.00 H ATOM 95 N PHE A 7 5.028 -2.192 -0.888 1.00 0.00 N ATOM 96 CA PHE A 7 3.956 -2.720 -0.008 1.00 0.00 C ATOM 97 C PHE A 7 3.230 -1.563 0.690 1.00 0.00 C ATOM 98 O PHE A 7 2.018 -1.521 0.711 1.00 0.00 O ATOM 99 CB PHE A 7 4.635 -3.645 0.994 1.00 0.00 C ATOM 100 CG PHE A 7 4.944 -4.969 0.329 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.758 -5.021 -0.814 1.00 0.00 C ATOM 102 CD2 PHE A 7 4.402 -6.149 0.852 1.00 0.00 C ATOM 103 CE1 PHE A 7 6.024 -6.254 -1.427 1.00 0.00 C ATOM 104 CE2 PHE A 7 4.670 -7.376 0.241 1.00 0.00 C ATOM 105 CZ PHE A 7 5.479 -7.430 -0.899 1.00 0.00 C ATOM 106 H PHE A 7 5.936 -2.040 -0.537 1.00 0.00 H ATOM 107 HA PHE A 7 3.260 -3.279 -0.597 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.536 -3.192 1.342 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.972 -3.813 1.829 1.00 0.00 H ATOM 110 HD1 PHE A 7 6.183 -4.114 -1.221 1.00 0.00 H ATOM 111 HD2 PHE A 7 3.781 -6.110 1.732 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.649 -6.297 -2.306 1.00 0.00 H ATOM 113 HE2 PHE A 7 4.249 -8.284 0.648 1.00 0.00 H ATOM 114 HZ PHE A 7 5.683 -8.379 -1.371 1.00 0.00 H ATOM 115 N TYR A 8 3.940 -0.608 1.240 1.00 0.00 N ATOM 116 CA TYR A 8 3.225 0.527 1.891 1.00 0.00 C ATOM 117 C TYR A 8 2.255 1.144 0.878 1.00 0.00 C ATOM 118 O TYR A 8 1.176 1.597 1.217 1.00 0.00 O ATOM 119 CB TYR A 8 4.310 1.530 2.279 1.00 0.00 C ATOM 120 CG TYR A 8 3.780 2.464 3.345 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.866 2.108 4.696 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.204 3.688 2.980 1.00 0.00 C ATOM 123 CE1 TYR A 8 3.377 2.974 5.682 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.715 4.555 3.966 1.00 0.00 C ATOM 125 CZ TYR A 8 2.802 4.198 5.317 1.00 0.00 C ATOM 126 OH TYR A 8 2.319 5.050 6.289 1.00 0.00 O ATOM 127 H TYR A 8 4.924 -0.625 1.210 1.00 0.00 H ATOM 128 HA TYR A 8 2.700 0.191 2.767 1.00 0.00 H ATOM 129 HB2 TYR A 8 5.168 0.999 2.661 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.596 2.104 1.411 1.00 0.00 H ATOM 131 HD1 TYR A 8 4.310 1.165 4.979 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.136 3.963 1.939 1.00 0.00 H ATOM 133 HE1 TYR A 8 3.445 2.699 6.723 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.272 5.497 3.683 1.00 0.00 H ATOM 135 HH TYR A 8 2.811 5.873 6.234 1.00 0.00 H ATOM 136 N ASP A 9 2.634 1.148 -0.373 1.00 0.00 N ATOM 137 CA ASP A 9 1.749 1.717 -1.424 1.00 0.00 C ATOM 138 C ASP A 9 0.672 0.701 -1.798 1.00 0.00 C ATOM 139 O ASP A 9 -0.474 1.044 -2.007 1.00 0.00 O ATOM 140 CB ASP A 9 2.665 1.988 -2.615 1.00 0.00 C ATOM 141 CG ASP A 9 1.987 2.973 -3.569 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.106 3.687 -3.122 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.362 2.997 -4.730 1.00 0.00 O ATOM 144 H ASP A 9 3.498 0.767 -0.621 1.00 0.00 H ATOM 145 HA ASP A 9 1.310 2.633 -1.083 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.595 2.407 -2.263 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.859 1.064 -3.134 1.00 0.00 H ATOM 148 N LYS A 10 1.032 -0.551 -1.876 1.00 0.00 N ATOM 149 CA LYS A 10 0.032 -1.593 -2.225 1.00 0.00 C ATOM 150 C LYS A 10 -1.072 -1.612 -1.172 1.00 0.00 C ATOM 151 O LYS A 10 -2.244 -1.544 -1.478 1.00 0.00 O ATOM 152 CB LYS A 10 0.799 -2.913 -2.206 1.00 0.00 C ATOM 153 CG LYS A 10 -0.189 -4.067 -2.381 1.00 0.00 C ATOM 154 CD LYS A 10 0.546 -5.295 -2.916 1.00 0.00 C ATOM 155 CE LYS A 10 1.681 -5.665 -1.964 1.00 0.00 C ATOM 156 NZ LYS A 10 2.351 -6.828 -2.606 1.00 0.00 N ATOM 157 H LYS A 10 1.958 -0.805 -1.699 1.00 0.00 H ATOM 158 HA LYS A 10 -0.376 -1.415 -3.206 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.522 -2.924 -3.010 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.310 -3.019 -1.260 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.637 -4.301 -1.427 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.958 -3.777 -3.081 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.145 -6.122 -2.991 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.952 -5.077 -3.892 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.371 -4.838 -1.863 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.287 -5.951 -1.002 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.660 -7.352 -3.181 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.738 -7.453 -1.870 1.00 0.00 H ATOM 169 HZ3 LYS A 10 3.122 -6.491 -3.217 1.00 0.00 H ATOM 170 N VAL A 11 -0.707 -1.701 0.073 1.00 0.00 N ATOM 171 CA VAL A 11 -1.743 -1.715 1.137 1.00 0.00 C ATOM 172 C VAL A 11 -2.678 -0.515 0.951 1.00 0.00 C ATOM 173 O VAL A 11 -3.885 -0.652 0.983 1.00 0.00 O ATOM 174 CB VAL A 11 -0.979 -1.637 2.461 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.288 -2.978 2.722 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.076 -0.527 2.401 1.00 0.00 C ATOM 177 H VAL A 11 0.241 -1.756 0.304 1.00 0.00 H ATOM 178 HA VAL A 11 -2.306 -2.634 1.091 1.00 0.00 H ATOM 179 HB VAL A 11 -1.674 -1.431 3.262 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.370 -3.600 1.843 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.763 -3.471 3.556 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.755 -2.809 2.949 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.285 0.340 2.932 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.270 -0.265 1.373 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.989 -0.875 2.862 1.00 0.00 H ATOM 186 N ALA A 12 -2.140 0.658 0.731 1.00 0.00 N ATOM 187 CA ALA A 12 -3.026 1.838 0.518 1.00 0.00 C ATOM 188 C ALA A 12 -3.873 1.621 -0.730 1.00 0.00 C ATOM 189 O ALA A 12 -4.962 2.140 -0.847 1.00 0.00 O ATOM 190 CB ALA A 12 -2.091 3.023 0.336 1.00 0.00 C ATOM 191 H ALA A 12 -1.162 0.762 0.693 1.00 0.00 H ATOM 192 HA ALA A 12 -3.658 1.996 1.367 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.677 3.912 0.154 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.439 2.838 -0.504 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.504 3.156 1.232 1.00 0.00 H ATOM 196 N GLU A 13 -3.392 0.840 -1.655 1.00 0.00 N ATOM 197 CA GLU A 13 -4.189 0.573 -2.876 1.00 0.00 C ATOM 198 C GLU A 13 -5.335 -0.359 -2.491 1.00 0.00 C ATOM 199 O GLU A 13 -6.370 -0.395 -3.126 1.00 0.00 O ATOM 200 CB GLU A 13 -3.209 -0.074 -3.865 1.00 0.00 C ATOM 201 CG GLU A 13 -3.952 -0.926 -4.899 1.00 0.00 C ATOM 202 CD GLU A 13 -3.251 -2.280 -5.020 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.212 -2.997 -4.033 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.759 -2.573 -6.095 1.00 0.00 O ATOM 205 H GLU A 13 -2.521 0.417 -1.536 1.00 0.00 H ATOM 206 HA GLU A 13 -4.569 1.494 -3.274 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.662 0.702 -4.377 1.00 0.00 H ATOM 208 HB3 GLU A 13 -2.514 -0.698 -3.326 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.978 -1.073 -4.596 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.930 -0.429 -5.855 1.00 0.00 H ATOM 211 N LYS A 14 -5.168 -1.080 -1.416 1.00 0.00 N ATOM 212 CA LYS A 14 -6.235 -1.965 -0.944 1.00 0.00 C ATOM 213 C LYS A 14 -7.186 -1.119 -0.118 1.00 0.00 C ATOM 214 O LYS A 14 -8.354 -1.387 -0.036 1.00 0.00 O ATOM 215 CB LYS A 14 -5.534 -3.011 -0.088 1.00 0.00 C ATOM 216 CG LYS A 14 -6.243 -4.353 -0.253 1.00 0.00 C ATOM 217 CD LYS A 14 -7.636 -4.269 0.369 1.00 0.00 C ATOM 218 CE LYS A 14 -7.804 -5.402 1.379 1.00 0.00 C ATOM 219 NZ LYS A 14 -8.895 -6.248 0.825 1.00 0.00 N ATOM 220 H LYS A 14 -4.356 -1.009 -0.901 1.00 0.00 H ATOM 221 HA LYS A 14 -6.738 -2.429 -1.769 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.508 -3.103 -0.409 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.568 -2.712 0.947 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.330 -4.587 -1.302 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.676 -5.125 0.244 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.751 -3.316 0.870 1.00 0.00 H ATOM 227 HD3 LYS A 14 -8.384 -4.362 -0.403 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.887 -5.969 1.458 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.092 -5.011 2.342 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -9.400 -6.718 1.601 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -8.488 -6.967 0.191 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -9.560 -5.651 0.293 1.00 0.00 H ATOM 233 N PHE A 15 -6.684 -0.065 0.471 1.00 0.00 N ATOM 234 CA PHE A 15 -7.562 0.828 1.265 1.00 0.00 C ATOM 235 C PHE A 15 -8.381 1.684 0.309 1.00 0.00 C ATOM 236 O PHE A 15 -9.464 2.133 0.621 1.00 0.00 O ATOM 237 CB PHE A 15 -6.621 1.691 2.099 1.00 0.00 C ATOM 238 CG PHE A 15 -6.838 1.403 3.566 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.187 0.322 4.169 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.691 2.218 4.323 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.388 0.052 5.528 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.892 1.947 5.683 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.240 0.864 6.284 1.00 0.00 C ATOM 244 H PHE A 15 -5.737 0.148 0.367 1.00 0.00 H ATOM 245 HA PHE A 15 -8.200 0.252 1.899 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.602 1.465 1.834 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.826 2.732 1.903 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.531 -0.307 3.587 1.00 0.00 H ATOM 249 HD2 PHE A 15 -8.195 3.052 3.860 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.884 -0.782 5.993 1.00 0.00 H ATOM 251 HE2 PHE A 15 -8.548 2.575 6.268 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.394 0.655 7.332 1.00 0.00 H ATOM 253 N LYS A 16 -7.868 1.896 -0.869 1.00 0.00 N ATOM 254 CA LYS A 16 -8.613 2.692 -1.872 1.00 0.00 C ATOM 255 C LYS A 16 -9.583 1.772 -2.614 1.00 0.00 C ATOM 256 O LYS A 16 -10.600 2.198 -3.126 1.00 0.00 O ATOM 257 CB LYS A 16 -7.551 3.236 -2.827 1.00 0.00 C ATOM 258 CG LYS A 16 -8.237 3.964 -3.983 1.00 0.00 C ATOM 259 CD LYS A 16 -8.172 5.476 -3.750 1.00 0.00 C ATOM 260 CE LYS A 16 -6.863 6.030 -4.317 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.230 7.346 -4.918 1.00 0.00 N ATOM 262 H LYS A 16 -6.996 1.517 -1.095 1.00 0.00 H ATOM 263 HA LYS A 16 -9.136 3.499 -1.396 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.907 3.923 -2.296 1.00 0.00 H ATOM 265 HB3 LYS A 16 -6.964 2.419 -3.216 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.737 3.719 -4.911 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.269 3.655 -4.040 1.00 0.00 H ATOM 268 HD2 LYS A 16 -9.008 5.950 -4.243 1.00 0.00 H ATOM 269 HD3 LYS A 16 -8.217 5.678 -2.692 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.141 6.163 -3.526 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.474 5.373 -5.078 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.709 7.191 -5.827 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.369 7.910 -5.070 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.868 7.855 -4.275 1.00 0.00 H ATOM 275 N GLU A 17 -9.277 0.503 -2.655 1.00 0.00 N ATOM 276 CA GLU A 17 -10.175 -0.466 -3.339 1.00 0.00 C ATOM 277 C GLU A 17 -11.096 -1.098 -2.305 1.00 0.00 C ATOM 278 O GLU A 17 -12.183 -1.553 -2.601 1.00 0.00 O ATOM 279 CB GLU A 17 -9.248 -1.519 -3.944 1.00 0.00 C ATOM 280 CG GLU A 17 -8.898 -1.142 -5.387 1.00 0.00 C ATOM 281 CD GLU A 17 -9.498 -2.174 -6.343 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.427 -3.352 -6.031 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.017 -1.772 -7.372 1.00 0.00 O ATOM 284 H GLU A 17 -8.461 0.185 -2.220 1.00 0.00 H ATOM 285 HA GLU A 17 -10.736 0.021 -4.103 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.342 -1.575 -3.358 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.744 -2.477 -3.935 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.298 -0.164 -5.611 1.00 0.00 H ATOM 289 HG3 GLU A 17 -7.825 -1.129 -5.504 1.00 0.00 H ATOM 290 N ALA A 18 -10.652 -1.105 -1.087 1.00 0.00 N ATOM 291 CA ALA A 18 -11.448 -1.673 0.019 1.00 0.00 C ATOM 292 C ALA A 18 -12.137 -0.534 0.771 1.00 0.00 C ATOM 293 O ALA A 18 -13.057 -0.751 1.533 1.00 0.00 O ATOM 294 CB ALA A 18 -10.414 -2.357 0.911 1.00 0.00 C ATOM 295 H ALA A 18 -9.785 -0.718 -0.896 1.00 0.00 H ATOM 296 HA ALA A 18 -12.160 -2.385 -0.352 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.848 -1.603 1.444 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.735 -2.938 0.295 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.906 -3.005 1.616 1.00 0.00 H ATOM 300 N PHE A 19 -11.673 0.673 0.538 1.00 0.00 N ATOM 301 CA PHE A 19 -12.240 1.897 1.201 1.00 0.00 C ATOM 302 C PHE A 19 -13.186 1.546 2.355 1.00 0.00 C ATOM 303 O PHE A 19 -14.307 1.129 2.139 1.00 0.00 O ATOM 304 CB PHE A 19 -12.995 2.628 0.089 1.00 0.00 C ATOM 305 CG PHE A 19 -14.127 1.765 -0.402 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.858 0.632 -1.177 1.00 0.00 C ATOM 307 CD2 PHE A 19 -15.448 2.095 -0.081 1.00 0.00 C ATOM 308 CE1 PHE A 19 -14.911 -0.170 -1.633 1.00 0.00 C ATOM 309 CE2 PHE A 19 -16.501 1.293 -0.536 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.232 0.160 -1.311 1.00 0.00 C ATOM 311 H PHE A 19 -10.930 0.777 -0.094 1.00 0.00 H ATOM 312 HA PHE A 19 -11.441 2.524 1.560 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.391 3.558 0.472 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.321 2.834 -0.730 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.838 0.377 -1.427 1.00 0.00 H ATOM 316 HD2 PHE A 19 -15.654 2.969 0.518 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.703 -1.044 -2.231 1.00 0.00 H ATOM 318 HE2 PHE A 19 -17.521 1.547 -0.289 1.00 0.00 H ATOM 319 HZ PHE A 19 -17.042 -0.460 -1.660 1.00 0.00 H HETATM 320 N NH2 A 20 -12.774 1.696 3.586 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.368 1.473 4.333 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.869 2.031 3.762 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 43 HETATM 1 C ACE A 1 12.164 -0.104 -0.140 1.00 0.00 C HETATM 2 O ACE A 1 11.102 0.432 0.111 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.201 -0.349 0.947 1.00 0.00 C HETATM 4 H1 ACE A 1 13.648 -1.322 0.796 1.00 0.00 H HETATM 5 H2 ACE A 1 12.719 -0.323 1.913 1.00 0.00 H HETATM 6 H3 ACE A 1 13.961 0.411 0.899 1.00 0.00 H ATOM 7 N ASP A 2 12.431 -0.540 -1.335 1.00 0.00 N ATOM 8 CA ASP A 2 11.423 -0.380 -2.394 1.00 0.00 C ATOM 9 C ASP A 2 10.334 -1.366 -2.040 1.00 0.00 C ATOM 10 O ASP A 2 9.162 -1.133 -2.235 1.00 0.00 O ATOM 11 CB ASP A 2 12.116 -0.754 -3.702 1.00 0.00 C ATOM 12 CG ASP A 2 11.252 -0.301 -4.882 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.635 0.746 -4.773 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.222 -1.009 -5.877 1.00 0.00 O ATOM 15 H ASP A 2 13.256 -1.015 -1.514 1.00 0.00 H ATOM 16 HA ASP A 2 11.054 0.628 -2.424 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.077 -0.263 -3.751 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.252 -1.822 -3.746 1.00 0.00 H ATOM 19 N TRP A 3 10.751 -2.460 -1.455 1.00 0.00 N ATOM 20 CA TRP A 3 9.802 -3.494 -1.002 1.00 0.00 C ATOM 21 C TRP A 3 8.940 -2.911 0.135 1.00 0.00 C ATOM 22 O TRP A 3 7.862 -3.388 0.421 1.00 0.00 O ATOM 23 CB TRP A 3 10.688 -4.629 -0.456 1.00 0.00 C ATOM 24 CG TRP A 3 10.985 -4.301 0.963 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.659 -3.206 1.352 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.575 -4.993 2.177 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.655 -3.145 2.721 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.030 -4.242 3.285 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.865 -6.180 2.424 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.787 -4.651 4.595 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.620 -6.600 3.742 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.082 -5.837 4.827 1.00 0.00 C ATOM 33 H TRP A 3 11.705 -2.581 -1.286 1.00 0.00 H ATOM 34 HA TRP A 3 9.208 -3.841 -1.813 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.159 -5.570 -0.515 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.607 -4.685 -1.019 1.00 0.00 H ATOM 37 HD1 TRP A 3 12.090 -2.467 0.692 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.053 -2.431 3.240 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.506 -6.772 1.596 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.147 -4.059 5.425 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.076 -7.515 3.923 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.892 -6.165 5.838 1.00 0.00 H ATOM 43 N PHE A 4 9.448 -1.896 0.800 1.00 0.00 N ATOM 44 CA PHE A 4 8.708 -1.288 1.934 1.00 0.00 C ATOM 45 C PHE A 4 7.597 -0.434 1.370 1.00 0.00 C ATOM 46 O PHE A 4 6.432 -0.643 1.641 1.00 0.00 O ATOM 47 CB PHE A 4 9.734 -0.432 2.685 1.00 0.00 C ATOM 48 CG PHE A 4 9.040 0.359 3.769 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.791 -0.232 5.013 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.644 1.681 3.533 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.145 0.495 6.019 1.00 0.00 C ATOM 52 CE2 PHE A 4 7.995 2.409 4.540 1.00 0.00 C ATOM 53 CZ PHE A 4 7.747 1.816 5.783 1.00 0.00 C ATOM 54 H PHE A 4 10.322 -1.541 0.556 1.00 0.00 H ATOM 55 HA PHE A 4 8.319 -2.054 2.574 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.479 -1.075 3.131 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.211 0.246 1.994 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.099 -1.252 5.197 1.00 0.00 H ATOM 59 HD2 PHE A 4 8.836 2.138 2.573 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.953 0.037 6.979 1.00 0.00 H ATOM 61 HE2 PHE A 4 7.691 3.429 4.358 1.00 0.00 H ATOM 62 HZ PHE A 4 7.247 2.376 6.559 1.00 0.00 H ATOM 63 N LYS A 5 7.947 0.496 0.537 1.00 0.00 N ATOM 64 CA LYS A 5 6.904 1.320 -0.096 1.00 0.00 C ATOM 65 C LYS A 5 6.193 0.451 -1.131 1.00 0.00 C ATOM 66 O LYS A 5 5.192 0.830 -1.704 1.00 0.00 O ATOM 67 CB LYS A 5 7.645 2.481 -0.752 1.00 0.00 C ATOM 68 CG LYS A 5 7.523 3.716 0.140 1.00 0.00 C ATOM 69 CD LYS A 5 6.196 4.421 -0.142 1.00 0.00 C ATOM 70 CE LYS A 5 6.466 5.884 -0.491 1.00 0.00 C ATOM 71 NZ LYS A 5 5.798 6.666 0.586 1.00 0.00 N ATOM 72 H LYS A 5 8.889 0.617 0.300 1.00 0.00 H ATOM 73 HA LYS A 5 6.215 1.686 0.639 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.685 2.221 -0.870 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.207 2.689 -1.715 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.558 3.415 1.177 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.339 4.393 -0.066 1.00 0.00 H ATOM 78 HD2 LYS A 5 5.701 3.938 -0.972 1.00 0.00 H ATOM 79 HD3 LYS A 5 5.567 4.370 0.733 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.530 6.078 -0.494 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.034 6.130 -1.448 1.00 0.00 H ATOM 82 HZ1 LYS A 5 4.998 6.124 0.965 1.00 0.00 H ATOM 83 HZ2 LYS A 5 5.451 7.567 0.194 1.00 0.00 H ATOM 84 HZ3 LYS A 5 6.478 6.858 1.348 1.00 0.00 H ATOM 85 N ALA A 6 6.711 -0.735 -1.361 1.00 0.00 N ATOM 86 CA ALA A 6 6.078 -1.651 -2.344 1.00 0.00 C ATOM 87 C ALA A 6 4.917 -2.398 -1.693 1.00 0.00 C ATOM 88 O ALA A 6 3.913 -2.667 -2.321 1.00 0.00 O ATOM 89 CB ALA A 6 7.190 -2.603 -2.747 1.00 0.00 C ATOM 90 H ALA A 6 7.521 -1.025 -0.878 1.00 0.00 H ATOM 91 HA ALA A 6 5.740 -1.106 -3.198 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.821 -2.126 -3.485 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.769 -3.503 -3.158 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.774 -2.838 -1.878 1.00 0.00 H ATOM 95 N PHE A 7 5.024 -2.703 -0.428 1.00 0.00 N ATOM 96 CA PHE A 7 3.910 -3.386 0.259 1.00 0.00 C ATOM 97 C PHE A 7 2.961 -2.300 0.751 1.00 0.00 C ATOM 98 O PHE A 7 1.768 -2.498 0.885 1.00 0.00 O ATOM 99 CB PHE A 7 4.551 -4.188 1.404 1.00 0.00 C ATOM 100 CG PHE A 7 4.897 -3.293 2.577 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.878 -2.707 3.339 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.238 -3.067 2.919 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.196 -1.897 4.434 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.552 -2.254 4.016 1.00 0.00 C ATOM 105 CZ PHE A 7 5.532 -1.671 4.773 1.00 0.00 C ATOM 106 H PHE A 7 5.815 -2.454 0.072 1.00 0.00 H ATOM 107 HA PHE A 7 3.406 -4.046 -0.425 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.861 -4.951 1.732 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.452 -4.660 1.042 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.850 -2.879 3.078 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.032 -3.515 2.336 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.407 -1.447 5.019 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.584 -2.080 4.278 1.00 0.00 H ATOM 114 HZ PHE A 7 5.777 -1.047 5.620 1.00 0.00 H ATOM 115 N TYR A 8 3.496 -1.128 0.971 1.00 0.00 N ATOM 116 CA TYR A 8 2.662 0.014 1.400 1.00 0.00 C ATOM 117 C TYR A 8 1.854 0.495 0.197 1.00 0.00 C ATOM 118 O TYR A 8 0.798 1.075 0.336 1.00 0.00 O ATOM 119 CB TYR A 8 3.651 1.081 1.857 1.00 0.00 C ATOM 120 CG TYR A 8 2.911 2.201 2.543 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.157 3.104 1.788 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.983 2.337 3.935 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.472 4.145 2.424 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.300 3.380 4.570 1.00 0.00 C ATOM 125 CZ TYR A 8 1.544 4.285 3.814 1.00 0.00 C ATOM 126 OH TYR A 8 0.872 5.312 4.439 1.00 0.00 O ATOM 127 H TYR A 8 4.449 -0.994 0.820 1.00 0.00 H ATOM 128 HA TYR A 8 2.016 -0.272 2.208 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.359 0.642 2.544 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.176 1.472 0.999 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.102 2.996 0.715 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.567 1.640 4.518 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.889 4.842 1.840 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.355 3.486 5.644 1.00 0.00 H ATOM 135 HH TYR A 8 1.251 5.426 5.313 1.00 0.00 H ATOM 136 N ASP A 9 2.337 0.217 -0.988 1.00 0.00 N ATOM 137 CA ASP A 9 1.596 0.610 -2.213 1.00 0.00 C ATOM 138 C ASP A 9 0.473 -0.401 -2.448 1.00 0.00 C ATOM 139 O ASP A 9 -0.692 -0.058 -2.481 1.00 0.00 O ATOM 140 CB ASP A 9 2.621 0.551 -3.343 1.00 0.00 C ATOM 141 CG ASP A 9 3.297 1.913 -3.495 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.331 2.649 -2.522 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.771 2.199 -4.582 1.00 0.00 O ATOM 144 H ASP A 9 3.176 -0.275 -1.068 1.00 0.00 H ATOM 145 HA ASP A 9 1.207 1.603 -2.116 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.362 -0.199 -3.113 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.120 0.293 -4.264 1.00 0.00 H ATOM 148 N LYS A 10 0.821 -1.653 -2.586 1.00 0.00 N ATOM 149 CA LYS A 10 -0.221 -2.700 -2.787 1.00 0.00 C ATOM 150 C LYS A 10 -1.309 -2.522 -1.729 1.00 0.00 C ATOM 151 O LYS A 10 -2.465 -2.285 -2.034 1.00 0.00 O ATOM 152 CB LYS A 10 0.521 -4.026 -2.590 1.00 0.00 C ATOM 153 CG LYS A 10 -0.477 -5.160 -2.327 1.00 0.00 C ATOM 154 CD LYS A 10 -1.071 -5.636 -3.652 1.00 0.00 C ATOM 155 CE LYS A 10 -0.133 -6.661 -4.285 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.470 -7.952 -3.622 1.00 0.00 N ATOM 157 H LYS A 10 1.770 -1.906 -2.536 1.00 0.00 H ATOM 158 HA LYS A 10 -0.635 -2.644 -3.780 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.092 -4.251 -3.481 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.190 -3.938 -1.749 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.037 -5.982 -1.850 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.268 -4.811 -1.684 1.00 0.00 H ATOM 163 HD2 LYS A 10 -2.034 -6.090 -3.471 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.188 -4.796 -4.319 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.310 -6.724 -5.350 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.895 -6.402 -4.088 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.444 -7.910 -3.257 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.189 -8.120 -2.835 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.394 -8.727 -4.311 1.00 0.00 H ATOM 170 N VAL A 11 -0.941 -2.609 -0.481 1.00 0.00 N ATOM 171 CA VAL A 11 -1.948 -2.417 0.591 1.00 0.00 C ATOM 172 C VAL A 11 -2.744 -1.160 0.272 1.00 0.00 C ATOM 173 O VAL A 11 -3.946 -1.099 0.447 1.00 0.00 O ATOM 174 CB VAL A 11 -1.123 -2.234 1.862 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.372 -0.908 1.792 1.00 0.00 C ATOM 176 CG2 VAL A 11 -2.040 -2.240 3.083 1.00 0.00 C ATOM 177 H VAL A 11 -0.001 -2.779 -0.253 1.00 0.00 H ATOM 178 HA VAL A 11 -2.591 -3.277 0.674 1.00 0.00 H ATOM 179 HB VAL A 11 -0.412 -3.035 1.939 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.279 -0.815 2.650 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.077 -0.091 1.780 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.217 -0.889 0.891 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.983 -2.699 2.822 1.00 0.00 H ATOM 184 HG22 VAL A 11 -2.210 -1.223 3.408 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.574 -2.800 3.880 1.00 0.00 H ATOM 186 N ALA A 12 -2.068 -0.156 -0.212 1.00 0.00 N ATOM 187 CA ALA A 12 -2.755 1.115 -0.572 1.00 0.00 C ATOM 188 C ALA A 12 -3.807 0.863 -1.644 1.00 0.00 C ATOM 189 O ALA A 12 -4.792 1.562 -1.727 1.00 0.00 O ATOM 190 CB ALA A 12 -1.665 2.034 -1.100 1.00 0.00 C ATOM 191 H ALA A 12 -1.101 -0.246 -0.342 1.00 0.00 H ATOM 192 HA ALA A 12 -3.209 1.551 0.292 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.680 2.962 -0.546 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.838 2.233 -2.145 1.00 0.00 H ATOM 195 HB3 ALA A 12 -0.708 1.558 -0.976 1.00 0.00 H ATOM 196 N GLU A 13 -3.619 -0.133 -2.461 1.00 0.00 N ATOM 197 CA GLU A 13 -4.637 -0.412 -3.502 1.00 0.00 C ATOM 198 C GLU A 13 -5.899 -0.930 -2.816 1.00 0.00 C ATOM 199 O GLU A 13 -7.013 -0.668 -3.239 1.00 0.00 O ATOM 200 CB GLU A 13 -4.021 -1.480 -4.403 1.00 0.00 C ATOM 201 CG GLU A 13 -4.852 -1.618 -5.682 1.00 0.00 C ATOM 202 CD GLU A 13 -5.727 -2.869 -5.591 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.625 -3.567 -4.596 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.482 -3.109 -6.519 1.00 0.00 O ATOM 205 H GLU A 13 -2.826 -0.699 -2.382 1.00 0.00 H ATOM 206 HA GLU A 13 -4.846 0.477 -4.064 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.011 -1.193 -4.659 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.007 -2.424 -3.883 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.480 -0.746 -5.799 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.193 -1.704 -6.533 1.00 0.00 H ATOM 211 N LYS A 14 -5.729 -1.632 -1.728 1.00 0.00 N ATOM 212 CA LYS A 14 -6.893 -2.139 -0.983 1.00 0.00 C ATOM 213 C LYS A 14 -7.422 -1.003 -0.129 1.00 0.00 C ATOM 214 O LYS A 14 -8.570 -0.965 0.220 1.00 0.00 O ATOM 215 CB LYS A 14 -6.356 -3.283 -0.118 1.00 0.00 C ATOM 216 CG LYS A 14 -7.456 -3.787 0.820 1.00 0.00 C ATOM 217 CD LYS A 14 -8.636 -4.304 -0.004 1.00 0.00 C ATOM 218 CE LYS A 14 -9.078 -5.669 0.528 1.00 0.00 C ATOM 219 NZ LYS A 14 -10.065 -6.168 -0.468 1.00 0.00 N ATOM 220 H LYS A 14 -4.835 -1.797 -1.383 1.00 0.00 H ATOM 221 HA LYS A 14 -7.646 -2.497 -1.659 1.00 0.00 H ATOM 222 HB2 LYS A 14 -6.029 -4.093 -0.757 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.521 -2.930 0.468 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.067 -4.587 1.436 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.787 -2.977 1.451 1.00 0.00 H ATOM 226 HD2 LYS A 14 -9.458 -3.606 0.070 1.00 0.00 H ATOM 227 HD3 LYS A 14 -8.338 -4.402 -1.037 1.00 0.00 H ATOM 228 HE2 LYS A 14 -8.231 -6.338 0.591 1.00 0.00 H ATOM 229 HE3 LYS A 14 -9.548 -5.564 1.495 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -9.572 -6.420 -1.346 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -10.765 -5.422 -0.664 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -10.548 -7.007 -0.091 1.00 0.00 H ATOM 233 N PHE A 15 -6.580 -0.058 0.185 1.00 0.00 N ATOM 234 CA PHE A 15 -7.026 1.099 0.999 1.00 0.00 C ATOM 235 C PHE A 15 -7.853 2.038 0.119 1.00 0.00 C ATOM 236 O PHE A 15 -8.739 2.727 0.584 1.00 0.00 O ATOM 237 CB PHE A 15 -5.727 1.753 1.486 1.00 0.00 C ATOM 238 CG PHE A 15 -5.919 3.235 1.702 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.011 4.096 0.602 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.996 3.750 3.002 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.181 5.471 0.801 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.165 5.124 3.201 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.259 5.985 2.101 1.00 0.00 C ATOM 244 H PHE A 15 -5.656 -0.104 -0.131 1.00 0.00 H ATOM 245 HA PHE A 15 -7.609 0.757 1.832 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.428 1.294 2.418 1.00 0.00 H ATOM 247 HB3 PHE A 15 -4.957 1.596 0.750 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.950 3.699 -0.400 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.925 3.086 3.850 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.253 6.135 -0.047 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.224 5.521 4.202 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.388 7.046 2.255 1.00 0.00 H ATOM 253 N LYS A 16 -7.586 2.041 -1.157 1.00 0.00 N ATOM 254 CA LYS A 16 -8.370 2.897 -2.079 1.00 0.00 C ATOM 255 C LYS A 16 -9.659 2.155 -2.435 1.00 0.00 C ATOM 256 O LYS A 16 -10.658 2.750 -2.789 1.00 0.00 O ATOM 257 CB LYS A 16 -7.475 3.104 -3.311 1.00 0.00 C ATOM 258 CG LYS A 16 -8.334 3.299 -4.567 1.00 0.00 C ATOM 259 CD LYS A 16 -7.427 3.448 -5.789 1.00 0.00 C ATOM 260 CE LYS A 16 -7.852 2.447 -6.869 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.591 2.053 -7.564 1.00 0.00 N ATOM 262 H LYS A 16 -6.886 1.463 -1.510 1.00 0.00 H ATOM 263 HA LYS A 16 -8.590 3.840 -1.614 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.859 3.979 -3.160 1.00 0.00 H ATOM 265 HB3 LYS A 16 -6.841 2.240 -3.442 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.978 2.440 -4.697 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.938 4.188 -4.457 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.508 4.453 -6.175 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.405 3.253 -5.505 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.319 1.584 -6.415 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.527 2.916 -7.570 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.791 2.594 -7.178 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.681 2.247 -8.582 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.420 1.036 -7.420 1.00 0.00 H ATOM 275 N GLU A 17 -9.638 0.852 -2.332 1.00 0.00 N ATOM 276 CA GLU A 17 -10.854 0.061 -2.646 1.00 0.00 C ATOM 277 C GLU A 17 -11.574 -0.316 -1.354 1.00 0.00 C ATOM 278 O GLU A 17 -12.735 -0.672 -1.353 1.00 0.00 O ATOM 279 CB GLU A 17 -10.356 -1.192 -3.360 1.00 0.00 C ATOM 280 CG GLU A 17 -10.243 -0.923 -4.863 1.00 0.00 C ATOM 281 CD GLU A 17 -9.227 -1.888 -5.478 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.041 -1.630 -5.351 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.652 -2.872 -6.062 1.00 0.00 O ATOM 284 H GLU A 17 -8.822 0.397 -2.040 1.00 0.00 H ATOM 285 HA GLU A 17 -11.498 0.620 -3.283 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.390 -1.468 -2.970 1.00 0.00 H ATOM 287 HB3 GLU A 17 -11.057 -1.998 -3.195 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.208 -1.070 -5.326 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.915 0.093 -5.024 1.00 0.00 H ATOM 290 N ALA A 18 -10.888 -0.229 -0.255 1.00 0.00 N ATOM 291 CA ALA A 18 -11.507 -0.565 1.046 1.00 0.00 C ATOM 292 C ALA A 18 -11.948 0.723 1.738 1.00 0.00 C ATOM 293 O ALA A 18 -12.784 0.711 2.617 1.00 0.00 O ATOM 294 CB ALA A 18 -10.394 -1.255 1.839 1.00 0.00 C ATOM 295 H ALA A 18 -9.964 0.068 -0.285 1.00 0.00 H ATOM 296 HA ALA A 18 -12.335 -1.233 0.906 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.785 -1.623 2.772 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.600 -0.547 2.034 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.998 -2.079 1.259 1.00 0.00 H ATOM 300 N PHE A 19 -11.380 1.831 1.321 1.00 0.00 N ATOM 301 CA PHE A 19 -11.722 3.167 1.913 1.00 0.00 C ATOM 302 C PHE A 19 -12.281 3.031 3.336 1.00 0.00 C ATOM 303 O PHE A 19 -13.279 3.635 3.676 1.00 0.00 O ATOM 304 CB PHE A 19 -12.772 3.758 0.970 1.00 0.00 C ATOM 305 CG PHE A 19 -14.052 2.968 1.075 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.195 1.770 0.367 1.00 0.00 C ATOM 307 CD2 PHE A 19 -15.097 3.436 1.880 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.384 1.040 0.464 1.00 0.00 C ATOM 309 CE2 PHE A 19 -16.286 2.707 1.977 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.429 1.507 1.269 1.00 0.00 C ATOM 311 H PHE A 19 -10.716 1.781 0.598 1.00 0.00 H ATOM 312 HA PHE A 19 -10.851 3.801 1.922 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.961 4.786 1.241 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.407 3.713 -0.045 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.389 1.411 -0.254 1.00 0.00 H ATOM 316 HD2 PHE A 19 -14.985 4.362 2.426 1.00 0.00 H ATOM 317 HE1 PHE A 19 -15.495 0.114 -0.083 1.00 0.00 H ATOM 318 HE2 PHE A 19 -17.093 3.068 2.597 1.00 0.00 H ATOM 319 HZ PHE A 19 -17.346 0.944 1.343 1.00 0.00 H HETATM 320 N NH2 A 20 -11.670 2.256 4.192 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.017 2.163 5.104 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -10.864 1.768 3.922 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 44 HETATM 1 C ACE A 1 12.168 -0.121 -0.561 1.00 0.00 C HETATM 2 O ACE A 1 11.091 0.437 -0.475 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.153 -0.127 0.596 1.00 0.00 C HETATM 4 H1 ACE A 1 13.524 0.871 0.757 1.00 0.00 H HETATM 5 H2 ACE A 1 13.973 -0.789 0.362 1.00 0.00 H HETATM 6 H3 ACE A 1 12.652 -0.477 1.487 1.00 0.00 H ATOM 7 N ASP A 2 12.499 -0.781 -1.626 1.00 0.00 N ATOM 8 CA ASP A 2 11.554 -0.855 -2.750 1.00 0.00 C ATOM 9 C ASP A 2 10.436 -1.731 -2.242 1.00 0.00 C ATOM 10 O ASP A 2 9.272 -1.475 -2.443 1.00 0.00 O ATOM 11 CB ASP A 2 12.315 -1.529 -3.895 1.00 0.00 C ATOM 12 CG ASP A 2 13.606 -0.757 -4.188 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.126 -0.135 -3.277 1.00 0.00 O ATOM 14 OD2 ASP A 2 14.057 -0.807 -5.321 1.00 0.00 O ATOM 15 H ASP A 2 13.338 -1.264 -1.661 1.00 0.00 H ATOM 16 HA ASP A 2 11.201 0.121 -3.029 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.558 -2.543 -3.615 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.697 -1.538 -4.780 1.00 0.00 H ATOM 19 N TRP A 3 10.832 -2.743 -1.521 1.00 0.00 N ATOM 20 CA TRP A 3 9.875 -3.678 -0.897 1.00 0.00 C ATOM 21 C TRP A 3 9.107 -2.953 0.218 1.00 0.00 C ATOM 22 O TRP A 3 8.072 -3.397 0.661 1.00 0.00 O ATOM 23 CB TRP A 3 10.774 -4.753 -0.283 1.00 0.00 C ATOM 24 CG TRP A 3 11.668 -4.051 0.677 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.251 -3.494 1.827 1.00 0.00 C ATOM 26 CD2 TRP A 3 13.099 -3.797 0.593 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.299 -2.850 2.420 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.480 -3.034 1.721 1.00 0.00 C ATOM 29 CE3 TRP A 3 14.091 -4.138 -0.344 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.799 -2.621 1.915 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.422 -3.731 -0.149 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.775 -2.975 0.978 1.00 0.00 C ATOM 33 H TRP A 3 11.787 -2.869 -1.362 1.00 0.00 H ATOM 34 HA TRP A 3 9.223 -4.100 -1.622 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.173 -5.488 0.234 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.363 -5.229 -1.052 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.233 -3.496 2.189 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.232 -2.341 3.242 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.830 -4.719 -1.215 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.065 -2.039 2.785 1.00 0.00 H ATOM 41 HZ3 TRP A 3 16.178 -4.002 -0.873 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.799 -2.664 1.121 1.00 0.00 H ATOM 43 N PHE A 4 9.648 -1.850 0.692 1.00 0.00 N ATOM 44 CA PHE A 4 9.004 -1.091 1.798 1.00 0.00 C ATOM 45 C PHE A 4 7.859 -0.286 1.226 1.00 0.00 C ATOM 46 O PHE A 4 6.708 -0.481 1.563 1.00 0.00 O ATOM 47 CB PHE A 4 10.109 -0.175 2.336 1.00 0.00 C ATOM 48 CG PHE A 4 9.554 0.758 3.386 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.312 0.289 4.683 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.293 2.094 3.065 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.808 1.157 5.658 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.788 2.963 4.040 1.00 0.00 C ATOM 53 CZ PHE A 4 8.545 2.495 5.337 1.00 0.00 C ATOM 54 H PHE A 4 10.494 -1.529 0.328 1.00 0.00 H ATOM 55 HA PHE A 4 8.662 -1.758 2.567 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.891 -0.778 2.772 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.517 0.406 1.524 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.513 -0.742 4.930 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.481 2.457 2.065 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.621 0.795 6.658 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.585 3.995 3.793 1.00 0.00 H ATOM 62 HZ PHE A 4 8.156 3.166 6.090 1.00 0.00 H ATOM 63 N LYS A 5 8.161 0.585 0.316 1.00 0.00 N ATOM 64 CA LYS A 5 7.081 1.356 -0.324 1.00 0.00 C ATOM 65 C LYS A 5 6.329 0.409 -1.260 1.00 0.00 C ATOM 66 O LYS A 5 5.303 0.748 -1.815 1.00 0.00 O ATOM 67 CB LYS A 5 7.768 2.483 -1.089 1.00 0.00 C ATOM 68 CG LYS A 5 7.842 3.722 -0.190 1.00 0.00 C ATOM 69 CD LYS A 5 8.774 4.764 -0.814 1.00 0.00 C ATOM 70 CE LYS A 5 7.958 5.737 -1.671 1.00 0.00 C ATOM 71 NZ LYS A 5 7.262 6.624 -0.695 1.00 0.00 N ATOM 72 H LYS A 5 9.091 0.696 0.028 1.00 0.00 H ATOM 73 HA LYS A 5 6.421 1.760 0.419 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.764 2.175 -1.367 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.197 2.716 -1.974 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.854 4.144 -0.078 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.223 3.438 0.779 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.276 5.311 -0.029 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.505 4.269 -1.433 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.615 6.315 -2.306 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.235 5.201 -2.264 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.357 6.195 -0.419 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.089 7.551 -1.134 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.856 6.747 0.149 1.00 0.00 H ATOM 85 N ALA A 6 6.834 -0.798 -1.421 1.00 0.00 N ATOM 86 CA ALA A 6 6.147 -1.782 -2.300 1.00 0.00 C ATOM 87 C ALA A 6 4.992 -2.431 -1.541 1.00 0.00 C ATOM 88 O ALA A 6 3.920 -2.633 -2.075 1.00 0.00 O ATOM 89 CB ALA A 6 7.208 -2.816 -2.641 1.00 0.00 C ATOM 90 H ALA A 6 7.663 -1.060 -0.950 1.00 0.00 H ATOM 91 HA ALA A 6 5.797 -1.310 -3.192 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.739 -3.763 -2.849 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.880 -2.917 -1.806 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.763 -2.486 -3.509 1.00 0.00 H ATOM 95 N PHE A 7 5.199 -2.747 -0.293 1.00 0.00 N ATOM 96 CA PHE A 7 4.111 -3.365 0.502 1.00 0.00 C ATOM 97 C PHE A 7 3.120 -2.276 0.909 1.00 0.00 C ATOM 98 O PHE A 7 1.920 -2.474 0.897 1.00 0.00 O ATOM 99 CB PHE A 7 4.799 -4.001 1.723 1.00 0.00 C ATOM 100 CG PHE A 7 5.082 -2.962 2.789 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.029 -2.415 3.532 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.399 -2.553 3.045 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.288 -1.461 4.521 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.656 -1.601 4.036 1.00 0.00 C ATOM 105 CZ PHE A 7 5.601 -1.054 4.774 1.00 0.00 C ATOM 106 H PHE A 7 6.061 -2.567 0.120 1.00 0.00 H ATOM 107 HA PHE A 7 3.618 -4.121 -0.079 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.154 -4.763 2.135 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.729 -4.454 1.411 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.018 -2.728 3.337 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.216 -2.971 2.478 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.473 -1.040 5.092 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.669 -1.289 4.232 1.00 0.00 H ATOM 114 HZ PHE A 7 5.800 -0.319 5.540 1.00 0.00 H ATOM 115 N TYR A 8 3.622 -1.119 1.248 1.00 0.00 N ATOM 116 CA TYR A 8 2.723 -0.003 1.636 1.00 0.00 C ATOM 117 C TYR A 8 1.923 0.448 0.415 1.00 0.00 C ATOM 118 O TYR A 8 0.830 0.966 0.529 1.00 0.00 O ATOM 119 CB TYR A 8 3.651 1.115 2.113 1.00 0.00 C ATOM 120 CG TYR A 8 2.838 2.358 2.376 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.594 2.258 3.010 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.326 3.612 1.986 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.838 3.411 3.254 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.569 4.764 2.230 1.00 0.00 C ATOM 125 CZ TYR A 8 1.325 4.663 2.865 1.00 0.00 C ATOM 126 OH TYR A 8 0.580 5.799 3.106 1.00 0.00 O ATOM 127 H TYR A 8 4.589 -0.982 1.235 1.00 0.00 H ATOM 128 HA TYR A 8 2.068 -0.307 2.432 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.149 0.809 3.021 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.387 1.322 1.351 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.217 1.292 3.310 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.286 3.689 1.497 1.00 0.00 H ATOM 133 HE1 TYR A 8 -0.123 3.332 3.743 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.945 5.731 1.929 1.00 0.00 H ATOM 135 HH TYR A 8 0.511 6.290 2.284 1.00 0.00 H ATOM 136 N ASP A 9 2.463 0.248 -0.756 1.00 0.00 N ATOM 137 CA ASP A 9 1.742 0.655 -1.989 1.00 0.00 C ATOM 138 C ASP A 9 0.586 -0.310 -2.259 1.00 0.00 C ATOM 139 O ASP A 9 -0.569 0.069 -2.254 1.00 0.00 O ATOM 140 CB ASP A 9 2.783 0.574 -3.100 1.00 0.00 C ATOM 141 CG ASP A 9 3.346 1.969 -3.377 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.572 2.912 -3.365 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.542 2.072 -3.595 1.00 0.00 O ATOM 144 H ASP A 9 3.341 -0.173 -0.823 1.00 0.00 H ATOM 145 HA ASP A 9 1.384 1.660 -1.898 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.582 -0.084 -2.796 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.320 0.192 -3.996 1.00 0.00 H ATOM 148 N LYS A 10 0.889 -1.556 -2.495 1.00 0.00 N ATOM 149 CA LYS A 10 -0.189 -2.551 -2.763 1.00 0.00 C ATOM 150 C LYS A 10 -1.270 -2.480 -1.678 1.00 0.00 C ATOM 151 O LYS A 10 -2.449 -2.381 -1.966 1.00 0.00 O ATOM 152 CB LYS A 10 0.508 -3.906 -2.738 1.00 0.00 C ATOM 153 CG LYS A 10 -0.218 -4.871 -3.676 1.00 0.00 C ATOM 154 CD LYS A 10 0.482 -4.884 -5.038 1.00 0.00 C ATOM 155 CE LYS A 10 -0.531 -4.574 -6.142 1.00 0.00 C ATOM 156 NZ LYS A 10 0.021 -5.226 -7.362 1.00 0.00 N ATOM 157 H LYS A 10 1.829 -1.840 -2.494 1.00 0.00 H ATOM 158 HA LYS A 10 -0.621 -2.385 -3.735 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.531 -3.787 -3.063 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.491 -4.300 -1.734 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.203 -5.866 -3.253 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.240 -4.549 -3.803 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.262 -4.138 -5.047 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.913 -5.859 -5.212 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.497 -4.991 -5.893 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.607 -3.509 -6.295 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.704 -4.588 -7.818 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.754 -5.433 -8.024 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.498 -6.111 -7.098 1.00 0.00 H ATOM 170 N VAL A 11 -0.887 -2.529 -0.430 1.00 0.00 N ATOM 171 CA VAL A 11 -1.912 -2.462 0.650 1.00 0.00 C ATOM 172 C VAL A 11 -2.756 -1.200 0.476 1.00 0.00 C ATOM 173 O VAL A 11 -3.970 -1.234 0.556 1.00 0.00 O ATOM 174 CB VAL A 11 -1.121 -2.414 1.957 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.285 -3.687 2.094 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.197 -1.198 1.951 1.00 0.00 C ATOM 177 H VAL A 11 0.066 -2.606 -0.202 1.00 0.00 H ATOM 178 HA VAL A 11 -2.536 -3.341 0.626 1.00 0.00 H ATOM 179 HB VAL A 11 -1.808 -2.342 2.787 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.873 -4.456 2.573 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.591 -3.479 2.692 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.021 -4.025 1.114 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.305 -1.133 0.998 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.534 -1.300 2.738 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.779 -0.303 2.113 1.00 0.00 H ATOM 186 N ALA A 12 -2.123 -0.086 0.224 1.00 0.00 N ATOM 187 CA ALA A 12 -2.888 1.174 0.031 1.00 0.00 C ATOM 188 C ALA A 12 -3.845 1.023 -1.139 1.00 0.00 C ATOM 189 O ALA A 12 -4.833 1.714 -1.228 1.00 0.00 O ATOM 190 CB ALA A 12 -1.844 2.238 -0.260 1.00 0.00 C ATOM 191 H ALA A 12 -1.149 -0.081 0.155 1.00 0.00 H ATOM 192 HA ALA A 12 -3.430 1.425 0.919 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.360 2.017 -1.198 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.112 2.245 0.535 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.325 3.203 -0.319 1.00 0.00 H ATOM 196 N GLU A 13 -3.573 0.111 -2.027 1.00 0.00 N ATOM 197 CA GLU A 13 -4.496 -0.092 -3.168 1.00 0.00 C ATOM 198 C GLU A 13 -5.762 -0.752 -2.636 1.00 0.00 C ATOM 199 O GLU A 13 -6.862 -0.487 -3.086 1.00 0.00 O ATOM 200 CB GLU A 13 -3.759 -1.011 -4.140 1.00 0.00 C ATOM 201 CG GLU A 13 -2.418 -0.380 -4.519 1.00 0.00 C ATOM 202 CD GLU A 13 -2.163 -0.579 -6.014 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.061 -1.053 -6.690 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.074 -0.254 -6.458 1.00 0.00 O ATOM 205 H GLU A 13 -2.777 -0.446 -1.934 1.00 0.00 H ATOM 206 HA GLU A 13 -4.725 0.848 -3.635 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.589 -1.969 -3.672 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.355 -1.145 -5.030 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.442 0.676 -4.295 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.628 -0.849 -3.956 1.00 0.00 H ATOM 211 N LYS A 14 -5.613 -1.577 -1.635 1.00 0.00 N ATOM 212 CA LYS A 14 -6.791 -2.214 -1.033 1.00 0.00 C ATOM 213 C LYS A 14 -7.519 -1.143 -0.248 1.00 0.00 C ATOM 214 O LYS A 14 -8.721 -1.148 -0.145 1.00 0.00 O ATOM 215 CB LYS A 14 -6.243 -3.300 -0.109 1.00 0.00 C ATOM 216 CG LYS A 14 -5.855 -4.531 -0.933 1.00 0.00 C ATOM 217 CD LYS A 14 -4.418 -4.381 -1.434 1.00 0.00 C ATOM 218 CE LYS A 14 -3.722 -5.744 -1.407 1.00 0.00 C ATOM 219 NZ LYS A 14 -2.480 -5.528 -0.613 1.00 0.00 N ATOM 220 H LYS A 14 -4.733 -1.741 -1.258 1.00 0.00 H ATOM 221 HA LYS A 14 -7.422 -2.640 -1.787 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.373 -2.925 0.408 1.00 0.00 H ATOM 223 HB3 LYS A 14 -7.000 -3.575 0.608 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.932 -5.415 -0.318 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.521 -4.622 -1.778 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.427 -4.001 -2.446 1.00 0.00 H ATOM 227 HD3 LYS A 14 -3.883 -3.693 -0.797 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.356 -6.477 -0.928 1.00 0.00 H ATOM 229 HE3 LYS A 14 -3.472 -6.058 -2.408 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -2.731 -5.302 0.369 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -1.937 -4.741 -1.025 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -1.903 -6.394 -0.629 1.00 0.00 H ATOM 233 N PHE A 15 -6.779 -0.200 0.276 1.00 0.00 N ATOM 234 CA PHE A 15 -7.407 0.909 1.034 1.00 0.00 C ATOM 235 C PHE A 15 -8.088 1.859 0.055 1.00 0.00 C ATOM 236 O PHE A 15 -9.045 2.531 0.379 1.00 0.00 O ATOM 237 CB PHE A 15 -6.257 1.611 1.758 1.00 0.00 C ATOM 238 CG PHE A 15 -5.548 0.635 2.673 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.166 -0.568 3.041 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.268 0.938 3.157 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.506 -1.465 3.889 1.00 0.00 C ATOM 242 CE2 PHE A 15 -3.608 0.040 4.006 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.226 -1.161 4.372 1.00 0.00 C ATOM 244 H PHE A 15 -5.810 -0.213 0.148 1.00 0.00 H ATOM 245 HA PHE A 15 -8.110 0.526 1.740 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.558 1.994 1.031 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.650 2.430 2.343 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.152 -0.803 2.669 1.00 0.00 H ATOM 249 HD2 PHE A 15 -3.790 1.865 2.875 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.983 -2.392 4.170 1.00 0.00 H ATOM 251 HE2 PHE A 15 -2.621 0.274 4.378 1.00 0.00 H ATOM 252 HZ PHE A 15 -3.718 -1.854 5.026 1.00 0.00 H ATOM 253 N LYS A 16 -7.604 1.900 -1.150 1.00 0.00 N ATOM 254 CA LYS A 16 -8.218 2.784 -2.170 1.00 0.00 C ATOM 255 C LYS A 16 -9.582 2.225 -2.551 1.00 0.00 C ATOM 256 O LYS A 16 -10.511 2.951 -2.846 1.00 0.00 O ATOM 257 CB LYS A 16 -7.263 2.741 -3.360 1.00 0.00 C ATOM 258 CG LYS A 16 -7.577 3.891 -4.320 1.00 0.00 C ATOM 259 CD LYS A 16 -6.636 3.822 -5.525 1.00 0.00 C ATOM 260 CE LYS A 16 -6.225 5.241 -5.934 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.252 5.247 -7.425 1.00 0.00 N ATOM 262 H LYS A 16 -6.844 1.335 -1.387 1.00 0.00 H ATOM 263 HA LYS A 16 -8.306 3.785 -1.795 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.247 2.834 -3.005 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.379 1.801 -3.876 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.600 3.809 -4.657 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.440 4.834 -3.812 1.00 0.00 H ATOM 268 HD2 LYS A 16 -5.756 3.253 -5.261 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.142 3.342 -6.348 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.928 5.963 -5.541 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.229 5.459 -5.582 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.282 5.157 -7.789 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.665 6.142 -7.760 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.824 4.452 -7.769 1.00 0.00 H ATOM 275 N GLU A 17 -9.709 0.929 -2.533 1.00 0.00 N ATOM 276 CA GLU A 17 -11.007 0.301 -2.876 1.00 0.00 C ATOM 277 C GLU A 17 -11.733 -0.098 -1.591 1.00 0.00 C ATOM 278 O GLU A 17 -12.920 -0.356 -1.583 1.00 0.00 O ATOM 279 CB GLU A 17 -10.645 -0.933 -3.703 1.00 0.00 C ATOM 280 CG GLU A 17 -11.832 -1.898 -3.740 1.00 0.00 C ATOM 281 CD GLU A 17 -11.818 -2.675 -5.059 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.857 -3.388 -5.293 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.769 -2.543 -5.811 1.00 0.00 O ATOM 284 H GLU A 17 -8.948 0.367 -2.279 1.00 0.00 H ATOM 285 HA GLU A 17 -11.603 0.976 -3.455 1.00 0.00 H ATOM 286 HB2 GLU A 17 -10.395 -0.628 -4.709 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.796 -1.428 -3.257 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.758 -2.590 -2.913 1.00 0.00 H ATOM 289 HG3 GLU A 17 -12.753 -1.340 -3.663 1.00 0.00 H ATOM 290 N ALA A 18 -11.013 -0.151 -0.506 1.00 0.00 N ATOM 291 CA ALA A 18 -11.625 -0.535 0.790 1.00 0.00 C ATOM 292 C ALA A 18 -12.290 0.679 1.448 1.00 0.00 C ATOM 293 O ALA A 18 -13.170 0.542 2.273 1.00 0.00 O ATOM 294 CB ALA A 18 -10.451 -1.034 1.629 1.00 0.00 C ATOM 295 H ALA A 18 -10.063 0.059 -0.545 1.00 0.00 H ATOM 296 HA ALA A 18 -12.337 -1.326 0.645 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.093 -1.973 1.227 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.763 -1.174 2.650 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.655 -0.309 1.592 1.00 0.00 H ATOM 300 N PHE A 19 -11.880 1.869 1.089 1.00 0.00 N ATOM 301 CA PHE A 19 -12.505 3.080 1.703 1.00 0.00 C ATOM 302 C PHE A 19 -14.030 2.939 1.696 1.00 0.00 C ATOM 303 O PHE A 19 -14.656 2.969 0.655 1.00 0.00 O ATOM 304 CB PHE A 19 -12.080 4.259 0.824 1.00 0.00 C ATOM 305 CG PHE A 19 -10.606 4.560 1.001 1.00 0.00 C ATOM 306 CD1 PHE A 19 -9.919 4.144 2.152 1.00 0.00 C ATOM 307 CD2 PHE A 19 -9.926 5.271 0.004 1.00 0.00 C ATOM 308 CE1 PHE A 19 -8.558 4.438 2.299 1.00 0.00 C ATOM 309 CE2 PHE A 19 -8.565 5.564 0.153 1.00 0.00 C ATOM 310 CZ PHE A 19 -7.882 5.147 1.301 1.00 0.00 C ATOM 311 H PHE A 19 -11.168 1.965 0.419 1.00 0.00 H ATOM 312 HA PHE A 19 -12.151 3.223 2.708 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.272 4.018 -0.210 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.657 5.130 1.100 1.00 0.00 H ATOM 315 HD1 PHE A 19 -10.435 3.598 2.925 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.452 5.594 -0.882 1.00 0.00 H ATOM 317 HE1 PHE A 19 -8.031 4.117 3.185 1.00 0.00 H ATOM 318 HE2 PHE A 19 -8.042 6.112 -0.616 1.00 0.00 H ATOM 319 HZ PHE A 19 -6.832 5.373 1.416 1.00 0.00 H HETATM 320 N NH2 A 20 -14.661 2.786 2.829 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -15.636 2.696 2.838 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.157 2.760 3.670 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 45 HETATM 1 C ACE A 1 12.143 -1.066 -1.265 1.00 0.00 C HETATM 2 O ACE A 1 11.153 -0.510 -0.827 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.375 -1.286 -0.403 1.00 0.00 C HETATM 4 H1 ACE A 1 13.287 -2.240 0.100 1.00 0.00 H HETATM 5 H2 ACE A 1 13.447 -0.498 0.326 1.00 0.00 H HETATM 6 H3 ACE A 1 14.252 -1.289 -1.030 1.00 0.00 H ATOM 7 N ASP A 2 12.172 -1.537 -2.477 1.00 0.00 N ATOM 8 CA ASP A 2 10.990 -1.391 -3.329 1.00 0.00 C ATOM 9 C ASP A 2 9.863 -2.099 -2.610 1.00 0.00 C ATOM 10 O ASP A 2 8.749 -1.647 -2.599 1.00 0.00 O ATOM 11 CB ASP A 2 11.339 -2.095 -4.640 1.00 0.00 C ATOM 12 CG ASP A 2 10.283 -1.767 -5.698 1.00 0.00 C ATOM 13 OD1 ASP A 2 9.314 -2.501 -5.786 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.465 -0.789 -6.404 1.00 0.00 O ATOM 15 H ASP A 2 12.949 -2.015 -2.801 1.00 0.00 H ATOM 16 HA ASP A 2 10.760 -0.354 -3.499 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.307 -1.756 -4.980 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.367 -3.161 -4.479 1.00 0.00 H ATOM 19 N TRP A 3 10.190 -3.198 -1.977 1.00 0.00 N ATOM 20 CA TRP A 3 9.186 -3.978 -1.210 1.00 0.00 C ATOM 21 C TRP A 3 8.676 -3.155 -0.011 1.00 0.00 C ATOM 22 O TRP A 3 7.643 -3.440 0.562 1.00 0.00 O ATOM 23 CB TRP A 3 9.943 -5.232 -0.733 1.00 0.00 C ATOM 24 CG TRP A 3 10.739 -4.874 0.473 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.458 -3.748 0.587 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.904 -5.599 1.725 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.012 -3.690 1.834 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.724 -4.822 2.578 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.425 -6.831 2.204 1.00 0.00 C ATOM 30 CZ2 TRP A 3 12.057 -5.252 3.863 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.762 -7.270 3.495 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.576 -6.483 4.323 1.00 0.00 C ATOM 33 H TRP A 3 11.117 -3.502 -1.994 1.00 0.00 H ATOM 34 HA TRP A 3 8.382 -4.262 -1.846 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.237 -6.011 -0.484 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.605 -5.576 -1.513 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.553 -2.994 -0.168 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.553 -2.952 2.159 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.798 -7.445 1.575 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.685 -4.642 4.496 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.392 -8.220 3.853 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.831 -6.826 5.314 1.00 0.00 H ATOM 43 N PHE A 4 9.401 -2.130 0.363 1.00 0.00 N ATOM 44 CA PHE A 4 8.979 -1.290 1.510 1.00 0.00 C ATOM 45 C PHE A 4 7.945 -0.309 1.009 1.00 0.00 C ATOM 46 O PHE A 4 6.791 -0.350 1.388 1.00 0.00 O ATOM 47 CB PHE A 4 10.242 -0.565 1.962 1.00 0.00 C ATOM 48 CG PHE A 4 10.342 -0.593 3.470 1.00 0.00 C ATOM 49 CD1 PHE A 4 10.902 -1.701 4.118 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.882 0.495 4.220 1.00 0.00 C ATOM 51 CE1 PHE A 4 11.000 -1.720 5.515 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.981 0.478 5.615 1.00 0.00 C ATOM 53 CZ PHE A 4 10.540 -0.630 6.263 1.00 0.00 C ATOM 54 H PHE A 4 10.217 -1.908 -0.120 1.00 0.00 H ATOM 55 HA PHE A 4 8.591 -1.897 2.300 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.104 -1.052 1.536 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.203 0.459 1.626 1.00 0.00 H ATOM 58 HD1 PHE A 4 11.257 -2.541 3.541 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.450 1.350 3.720 1.00 0.00 H ATOM 60 HE1 PHE A 4 11.432 -2.575 6.014 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.626 1.319 6.194 1.00 0.00 H ATOM 62 HZ PHE A 4 10.617 -0.643 7.341 1.00 0.00 H ATOM 63 N LYS A 5 8.338 0.539 0.108 1.00 0.00 N ATOM 64 CA LYS A 5 7.356 1.475 -0.466 1.00 0.00 C ATOM 65 C LYS A 5 6.321 0.636 -1.212 1.00 0.00 C ATOM 66 O LYS A 5 5.235 1.087 -1.521 1.00 0.00 O ATOM 67 CB LYS A 5 8.140 2.373 -1.418 1.00 0.00 C ATOM 68 CG LYS A 5 7.757 3.834 -1.172 1.00 0.00 C ATOM 69 CD LYS A 5 8.365 4.718 -2.262 1.00 0.00 C ATOM 70 CE LYS A 5 7.651 6.073 -2.277 1.00 0.00 C ATOM 71 NZ LYS A 5 8.440 6.947 -1.361 1.00 0.00 N ATOM 72 H LYS A 5 9.262 0.520 -0.218 1.00 0.00 H ATOM 73 HA LYS A 5 6.893 2.061 0.305 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.197 2.241 -1.242 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.905 2.107 -2.436 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.681 3.932 -1.189 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.131 4.146 -0.208 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.416 4.866 -2.061 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.246 4.240 -3.222 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.647 6.482 -3.279 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.642 5.969 -1.910 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.061 6.361 -0.767 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.790 7.488 -0.755 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.018 7.603 -1.921 1.00 0.00 H ATOM 85 N ALA A 6 6.652 -0.609 -1.476 1.00 0.00 N ATOM 86 CA ALA A 6 5.690 -1.500 -2.176 1.00 0.00 C ATOM 87 C ALA A 6 4.683 -2.045 -1.169 1.00 0.00 C ATOM 88 O ALA A 6 3.624 -2.520 -1.526 1.00 0.00 O ATOM 89 CB ALA A 6 6.532 -2.625 -2.751 1.00 0.00 C ATOM 90 H ALA A 6 7.533 -0.964 -1.192 1.00 0.00 H ATOM 91 HA ALA A 6 5.197 -0.972 -2.965 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.245 -2.942 -2.010 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.057 -2.268 -3.627 1.00 0.00 H ATOM 94 HB3 ALA A 6 5.899 -3.452 -3.023 1.00 0.00 H ATOM 95 N PHE A 7 5.012 -1.978 0.092 1.00 0.00 N ATOM 96 CA PHE A 7 4.088 -2.481 1.135 1.00 0.00 C ATOM 97 C PHE A 7 3.075 -1.397 1.492 1.00 0.00 C ATOM 98 O PHE A 7 1.880 -1.601 1.422 1.00 0.00 O ATOM 99 CB PHE A 7 4.982 -2.801 2.333 1.00 0.00 C ATOM 100 CG PHE A 7 5.569 -4.189 2.192 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.479 -4.876 0.976 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.201 -4.789 3.288 1.00 0.00 C ATOM 103 CE1 PHE A 7 6.019 -6.161 0.855 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.740 -6.074 3.169 1.00 0.00 C ATOM 105 CZ PHE A 7 6.649 -6.760 1.952 1.00 0.00 C ATOM 106 H PHE A 7 5.871 -1.595 0.354 1.00 0.00 H ATOM 107 HA PHE A 7 3.593 -3.363 0.796 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.780 -2.078 2.384 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.394 -2.752 3.237 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.994 -4.412 0.129 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.274 -4.259 4.227 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.949 -6.691 -0.084 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.227 -6.535 4.015 1.00 0.00 H ATOM 114 HZ PHE A 7 7.066 -7.753 1.862 1.00 0.00 H ATOM 115 N TYR A 8 3.546 -0.242 1.864 1.00 0.00 N ATOM 116 CA TYR A 8 2.610 0.858 2.214 1.00 0.00 C ATOM 117 C TYR A 8 1.778 1.228 0.989 1.00 0.00 C ATOM 118 O TYR A 8 0.666 1.709 1.101 1.00 0.00 O ATOM 119 CB TYR A 8 3.500 2.026 2.634 1.00 0.00 C ATOM 120 CG TYR A 8 2.635 3.166 3.111 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.993 3.085 4.352 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.471 4.304 2.311 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.189 4.143 4.795 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.667 5.361 2.753 1.00 0.00 C ATOM 125 CZ TYR A 8 1.027 5.281 3.995 1.00 0.00 C ATOM 126 OH TYR A 8 0.235 6.323 4.431 1.00 0.00 O ATOM 127 H TYR A 8 4.513 -0.096 1.906 1.00 0.00 H ATOM 128 HA TYR A 8 1.975 0.563 3.031 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.154 1.710 3.433 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.088 2.350 1.789 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.118 2.208 4.969 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.966 4.365 1.352 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.694 4.081 5.753 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.542 6.238 2.137 1.00 0.00 H ATOM 135 HH TYR A 8 0.323 6.384 5.385 1.00 0.00 H ATOM 136 N ASP A 9 2.304 0.996 -0.182 1.00 0.00 N ATOM 137 CA ASP A 9 1.544 1.320 -1.417 1.00 0.00 C ATOM 138 C ASP A 9 0.568 0.185 -1.718 1.00 0.00 C ATOM 139 O ASP A 9 -0.547 0.401 -2.152 1.00 0.00 O ATOM 140 CB ASP A 9 2.599 1.440 -2.514 1.00 0.00 C ATOM 141 CG ASP A 9 3.411 2.718 -2.297 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.334 3.267 -1.211 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.097 3.126 -3.221 1.00 0.00 O ATOM 144 H ASP A 9 3.196 0.597 -0.249 1.00 0.00 H ATOM 145 HA ASP A 9 1.024 2.251 -1.302 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.255 0.584 -2.475 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.114 1.482 -3.476 1.00 0.00 H ATOM 148 N LYS A 10 0.984 -1.024 -1.468 1.00 0.00 N ATOM 149 CA LYS A 10 0.100 -2.194 -1.708 1.00 0.00 C ATOM 150 C LYS A 10 -1.117 -2.093 -0.787 1.00 0.00 C ATOM 151 O LYS A 10 -2.246 -1.978 -1.232 1.00 0.00 O ATOM 152 CB LYS A 10 0.970 -3.404 -1.348 1.00 0.00 C ATOM 153 CG LYS A 10 0.093 -4.612 -1.007 1.00 0.00 C ATOM 154 CD LYS A 10 0.943 -5.674 -0.308 1.00 0.00 C ATOM 155 CE LYS A 10 0.029 -6.633 0.459 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.596 -7.495 -0.587 1.00 0.00 N ATOM 157 H LYS A 10 1.880 -1.161 -1.107 1.00 0.00 H ATOM 158 HA LYS A 10 -0.199 -2.239 -2.741 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.604 -3.649 -2.187 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.585 -3.159 -0.494 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.709 -4.306 -0.351 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.321 -5.024 -1.913 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.511 -6.226 -1.045 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.620 -5.195 0.384 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.609 -7.233 1.147 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.732 -6.083 0.988 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.411 -7.096 -1.528 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.623 -7.543 -0.426 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.193 -8.452 -0.535 1.00 0.00 H ATOM 170 N VAL A 11 -0.892 -2.119 0.497 1.00 0.00 N ATOM 171 CA VAL A 11 -2.029 -2.008 1.445 1.00 0.00 C ATOM 172 C VAL A 11 -2.870 -0.789 1.064 1.00 0.00 C ATOM 173 O VAL A 11 -4.089 -0.827 1.057 1.00 0.00 O ATOM 174 CB VAL A 11 -1.380 -1.823 2.819 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.635 -3.105 3.207 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.390 -0.654 2.766 1.00 0.00 C ATOM 177 H VAL A 11 0.025 -2.199 0.835 1.00 0.00 H ATOM 178 HA VAL A 11 -2.626 -2.905 1.430 1.00 0.00 H ATOM 179 HB VAL A 11 -2.146 -1.617 3.550 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.011 -2.913 4.067 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.019 -3.429 2.381 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.350 -3.879 3.447 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.903 0.264 3.011 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.027 -0.579 1.773 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.404 -0.822 3.478 1.00 0.00 H ATOM 186 N ALA A 12 -2.222 0.291 0.721 1.00 0.00 N ATOM 187 CA ALA A 12 -2.970 1.508 0.313 1.00 0.00 C ATOM 188 C ALA A 12 -3.797 1.201 -0.926 1.00 0.00 C ATOM 189 O ALA A 12 -4.788 1.842 -1.195 1.00 0.00 O ATOM 190 CB ALA A 12 -1.909 2.557 0.012 1.00 0.00 C ATOM 191 H ALA A 12 -1.244 0.295 0.719 1.00 0.00 H ATOM 192 HA ALA A 12 -3.603 1.843 1.108 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.626 3.051 0.929 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.312 3.282 -0.680 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.047 2.079 -0.424 1.00 0.00 H ATOM 196 N GLU A 13 -3.405 0.209 -1.673 1.00 0.00 N ATOM 197 CA GLU A 13 -4.185 -0.155 -2.879 1.00 0.00 C ATOM 198 C GLU A 13 -5.515 -0.749 -2.430 1.00 0.00 C ATOM 199 O GLU A 13 -6.547 -0.544 -3.043 1.00 0.00 O ATOM 200 CB GLU A 13 -3.337 -1.197 -3.609 1.00 0.00 C ATOM 201 CG GLU A 13 -3.914 -1.440 -5.005 1.00 0.00 C ATOM 202 CD GLU A 13 -3.650 -0.217 -5.885 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.166 0.772 -5.359 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.934 -0.291 -7.069 1.00 0.00 O ATOM 205 H GLU A 13 -2.608 -0.302 -1.432 1.00 0.00 H ATOM 206 HA GLU A 13 -4.340 0.705 -3.498 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.324 -0.835 -3.696 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.346 -2.121 -3.052 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.440 -2.309 -5.442 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.977 -1.608 -4.932 1.00 0.00 H ATOM 211 N LYS A 14 -5.500 -1.465 -1.341 1.00 0.00 N ATOM 212 CA LYS A 14 -6.755 -2.053 -0.827 1.00 0.00 C ATOM 213 C LYS A 14 -7.528 -0.978 -0.077 1.00 0.00 C ATOM 214 O LYS A 14 -8.723 -1.062 0.093 1.00 0.00 O ATOM 215 CB LYS A 14 -6.324 -3.183 0.113 1.00 0.00 C ATOM 216 CG LYS A 14 -7.463 -3.510 1.083 1.00 0.00 C ATOM 217 CD LYS A 14 -7.179 -4.843 1.780 1.00 0.00 C ATOM 218 CE LYS A 14 -8.392 -5.765 1.629 1.00 0.00 C ATOM 219 NZ LYS A 14 -8.763 -6.151 3.019 1.00 0.00 N ATOM 220 H LYS A 14 -4.667 -1.597 -0.854 1.00 0.00 H ATOM 221 HA LYS A 14 -7.340 -2.441 -1.636 1.00 0.00 H ATOM 222 HB2 LYS A 14 -6.086 -4.062 -0.470 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.454 -2.876 0.672 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.541 -2.726 1.823 1.00 0.00 H ATOM 225 HG3 LYS A 14 -8.390 -3.583 0.536 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.313 -5.307 1.329 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.989 -4.668 2.828 1.00 0.00 H ATOM 228 HE2 LYS A 14 -9.206 -5.236 1.154 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.129 -6.642 1.058 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -8.266 -7.026 3.280 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -9.791 -6.306 3.073 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -8.491 -5.392 3.675 1.00 0.00 H ATOM 233 N PHE A 15 -6.858 0.044 0.367 1.00 0.00 N ATOM 234 CA PHE A 15 -7.581 1.116 1.090 1.00 0.00 C ATOM 235 C PHE A 15 -8.224 2.064 0.085 1.00 0.00 C ATOM 236 O PHE A 15 -9.220 2.702 0.362 1.00 0.00 O ATOM 237 CB PHE A 15 -6.528 1.836 1.927 1.00 0.00 C ATOM 238 CG PHE A 15 -7.205 2.555 3.068 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.769 1.822 4.119 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.275 3.954 3.071 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.402 2.488 5.174 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.907 4.619 4.127 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.472 3.886 5.178 1.00 0.00 C ATOM 244 H PHE A 15 -5.892 0.108 0.220 1.00 0.00 H ATOM 245 HA PHE A 15 -8.325 0.687 1.722 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.827 1.115 2.318 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.006 2.552 1.311 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.714 0.743 4.115 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.839 4.519 2.260 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.837 1.922 5.985 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.961 5.698 4.131 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.961 4.400 5.993 1.00 0.00 H ATOM 253 N LYS A 16 -7.673 2.144 -1.090 1.00 0.00 N ATOM 254 CA LYS A 16 -8.255 3.034 -2.121 1.00 0.00 C ATOM 255 C LYS A 16 -9.349 2.287 -2.874 1.00 0.00 C ATOM 256 O LYS A 16 -10.253 2.876 -3.431 1.00 0.00 O ATOM 257 CB LYS A 16 -7.098 3.378 -3.057 1.00 0.00 C ATOM 258 CG LYS A 16 -7.577 4.385 -4.102 1.00 0.00 C ATOM 259 CD LYS A 16 -6.543 4.490 -5.224 1.00 0.00 C ATOM 260 CE LYS A 16 -5.182 4.856 -4.630 1.00 0.00 C ATOM 261 NZ LYS A 16 -4.306 5.119 -5.805 1.00 0.00 N ATOM 262 H LYS A 16 -6.885 1.608 -1.295 1.00 0.00 H ATOM 263 HA LYS A 16 -8.643 3.925 -1.668 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.289 3.808 -2.484 1.00 0.00 H ATOM 265 HB3 LYS A 16 -6.756 2.483 -3.551 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.522 4.058 -4.513 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.701 5.353 -3.640 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.470 3.541 -5.736 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.845 5.255 -5.922 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.268 5.743 -4.016 1.00 0.00 H ATOM 271 HE3 LYS A 16 -4.790 4.034 -4.052 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -3.457 5.634 -5.497 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -4.824 5.690 -6.503 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -4.023 4.216 -6.235 1.00 0.00 H ATOM 275 N GLU A 17 -9.275 0.986 -2.886 1.00 0.00 N ATOM 276 CA GLU A 17 -10.310 0.193 -3.591 1.00 0.00 C ATOM 277 C GLU A 17 -11.299 -0.376 -2.580 1.00 0.00 C ATOM 278 O GLU A 17 -12.500 -0.313 -2.756 1.00 0.00 O ATOM 279 CB GLU A 17 -9.546 -0.926 -4.299 1.00 0.00 C ATOM 280 CG GLU A 17 -10.532 -1.829 -5.045 1.00 0.00 C ATOM 281 CD GLU A 17 -9.891 -2.317 -6.346 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.040 -3.189 -6.274 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.265 -1.812 -7.391 1.00 0.00 O ATOM 284 H GLU A 17 -8.543 0.533 -2.422 1.00 0.00 H ATOM 285 HA GLU A 17 -10.814 0.807 -4.305 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.848 -0.494 -5.003 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.008 -1.509 -3.569 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.781 -2.678 -4.424 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.429 -1.274 -5.273 1.00 0.00 H ATOM 290 N ALA A 18 -10.790 -0.929 -1.523 1.00 0.00 N ATOM 291 CA ALA A 18 -11.663 -1.510 -0.477 1.00 0.00 C ATOM 292 C ALA A 18 -12.104 -0.419 0.499 1.00 0.00 C ATOM 293 O ALA A 18 -12.999 -0.612 1.298 1.00 0.00 O ATOM 294 CB ALA A 18 -10.774 -2.526 0.227 1.00 0.00 C ATOM 295 H ALA A 18 -9.824 -0.964 -1.413 1.00 0.00 H ATOM 296 HA ALA A 18 -12.510 -1.999 -0.920 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.926 -2.755 -0.405 1.00 0.00 H ATOM 298 HB2 ALA A 18 -11.334 -3.425 0.422 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.420 -2.106 1.158 1.00 0.00 H ATOM 300 N PHE A 19 -11.463 0.721 0.442 1.00 0.00 N ATOM 301 CA PHE A 19 -11.819 1.844 1.367 1.00 0.00 C ATOM 302 C PHE A 19 -12.166 1.305 2.759 1.00 0.00 C ATOM 303 O PHE A 19 -12.913 1.917 3.497 1.00 0.00 O ATOM 304 CB PHE A 19 -13.033 2.530 0.732 1.00 0.00 C ATOM 305 CG PHE A 19 -14.145 1.530 0.545 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.939 1.151 1.634 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.379 0.975 -0.718 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.966 0.218 1.460 1.00 0.00 C ATOM 309 CE2 PHE A 19 -15.406 0.040 -0.891 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.199 -0.339 0.197 1.00 0.00 C ATOM 311 H PHE A 19 -10.737 0.835 -0.211 1.00 0.00 H ATOM 312 HA PHE A 19 -11.001 2.543 1.435 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.371 3.329 1.376 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.753 2.940 -0.228 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.762 1.581 2.608 1.00 0.00 H ATOM 316 HD2 PHE A 19 -13.767 1.268 -1.558 1.00 0.00 H ATOM 317 HE1 PHE A 19 -16.578 -0.074 2.300 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.587 -0.388 -1.866 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.989 -1.061 0.065 1.00 0.00 H HETATM 320 N NH2 A 20 -11.646 0.174 3.154 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.859 -0.180 4.042 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.041 -0.321 2.562 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 46 HETATM 1 C ACE A 1 12.377 -1.672 -0.978 1.00 0.00 C HETATM 2 O ACE A 1 11.488 -0.913 -0.630 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.521 -2.034 -0.040 1.00 0.00 C HETATM 4 H1 ACE A 1 13.117 -2.292 0.930 1.00 0.00 H HETATM 5 H2 ACE A 1 14.187 -1.194 0.056 1.00 0.00 H HETATM 6 H3 ACE A 1 14.056 -2.880 -0.443 1.00 0.00 H ATOM 7 N ASP A 2 12.357 -2.238 -2.148 1.00 0.00 N ATOM 8 CA ASP A 2 11.241 -1.952 -3.056 1.00 0.00 C ATOM 9 C ASP A 2 10.005 -2.503 -2.386 1.00 0.00 C ATOM 10 O ASP A 2 8.948 -1.940 -2.468 1.00 0.00 O ATOM 11 CB ASP A 2 11.551 -2.702 -4.348 1.00 0.00 C ATOM 12 CG ASP A 2 10.839 -2.019 -5.517 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.031 -0.826 -5.684 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.113 -2.700 -6.223 1.00 0.00 O ATOM 15 H ASP A 2 13.044 -2.873 -2.404 1.00 0.00 H ATOM 16 HA ASP A 2 11.154 -0.898 -3.238 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.617 -2.693 -4.520 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.206 -3.721 -4.263 1.00 0.00 H ATOM 19 N TRP A 3 10.172 -3.598 -1.687 1.00 0.00 N ATOM 20 CA TRP A 3 9.041 -4.224 -0.957 1.00 0.00 C ATOM 21 C TRP A 3 8.525 -3.268 0.129 1.00 0.00 C ATOM 22 O TRP A 3 7.410 -3.381 0.598 1.00 0.00 O ATOM 23 CB TRP A 3 9.630 -5.494 -0.313 1.00 0.00 C ATOM 24 CG TRP A 3 10.347 -5.092 0.929 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.254 -4.104 0.984 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.224 -5.612 2.283 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.665 -3.940 2.277 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.081 -4.863 3.123 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.461 -6.643 2.860 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.177 -5.124 4.489 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.559 -6.912 4.235 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.415 -6.154 5.048 1.00 0.00 C ATOM 33 H TRP A 3 11.058 -4.000 -1.629 1.00 0.00 H ATOM 34 HA TRP A 3 8.265 -4.486 -1.636 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.832 -6.180 -0.069 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.321 -5.965 -0.996 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.576 -3.507 0.150 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.301 -3.265 2.570 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.799 -7.232 2.244 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.838 -4.538 5.109 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.971 -7.706 4.670 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.485 -6.366 6.105 1.00 0.00 H ATOM 43 N PHE A 4 9.344 -2.331 0.537 1.00 0.00 N ATOM 44 CA PHE A 4 8.921 -1.376 1.593 1.00 0.00 C ATOM 45 C PHE A 4 8.050 -0.321 0.952 1.00 0.00 C ATOM 46 O PHE A 4 6.882 -0.181 1.262 1.00 0.00 O ATOM 47 CB PHE A 4 10.215 -0.766 2.135 1.00 0.00 C ATOM 48 CG PHE A 4 9.903 0.515 2.874 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.580 0.473 4.235 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.931 1.741 2.198 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.287 1.657 4.922 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.638 2.926 2.885 1.00 0.00 C ATOM 53 CZ PHE A 4 9.315 2.884 4.247 1.00 0.00 C ATOM 54 H PHE A 4 10.232 -2.254 0.144 1.00 0.00 H ATOM 55 HA PHE A 4 8.390 -1.890 2.374 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.685 -1.466 2.810 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.883 -0.552 1.317 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.560 -0.472 4.755 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.182 1.773 1.147 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.038 1.625 5.973 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.659 3.871 2.364 1.00 0.00 H ATOM 62 HZ PHE A 4 9.088 3.798 4.778 1.00 0.00 H ATOM 63 N LYS A 5 8.595 0.392 0.019 1.00 0.00 N ATOM 64 CA LYS A 5 7.774 1.396 -0.682 1.00 0.00 C ATOM 65 C LYS A 5 6.690 0.637 -1.442 1.00 0.00 C ATOM 66 O LYS A 5 5.668 1.182 -1.825 1.00 0.00 O ATOM 67 CB LYS A 5 8.737 2.108 -1.633 1.00 0.00 C ATOM 68 CG LYS A 5 8.031 3.292 -2.292 1.00 0.00 C ATOM 69 CD LYS A 5 8.060 3.115 -3.810 1.00 0.00 C ATOM 70 CE LYS A 5 8.761 4.314 -4.452 1.00 0.00 C ATOM 71 NZ LYS A 5 9.738 3.721 -5.409 1.00 0.00 N ATOM 72 H LYS A 5 9.528 0.232 -0.246 1.00 0.00 H ATOM 73 HA LYS A 5 7.344 2.091 0.014 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.591 2.464 -1.074 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.066 1.418 -2.395 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.007 3.336 -1.952 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.541 4.207 -2.030 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.595 2.208 -4.056 1.00 0.00 H ATOM 79 HD3 LYS A 5 7.051 3.049 -4.184 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.044 4.930 -4.978 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.281 4.891 -3.705 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.101 4.465 -6.039 1.00 0.00 H ATOM 83 HZ2 LYS A 5 9.268 2.987 -5.976 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.529 3.299 -4.882 1.00 0.00 H ATOM 85 N ALA A 6 6.900 -0.644 -1.628 1.00 0.00 N ATOM 86 CA ALA A 6 5.889 -1.469 -2.337 1.00 0.00 C ATOM 87 C ALA A 6 4.823 -1.929 -1.349 1.00 0.00 C ATOM 88 O ALA A 6 3.765 -2.387 -1.731 1.00 0.00 O ATOM 89 CB ALA A 6 6.654 -2.663 -2.885 1.00 0.00 C ATOM 90 H ALA A 6 7.720 -1.068 -1.277 1.00 0.00 H ATOM 91 HA ALA A 6 5.454 -0.917 -3.140 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.256 -3.086 -2.098 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.298 -2.337 -3.691 1.00 0.00 H ATOM 94 HB3 ALA A 6 5.962 -3.401 -3.250 1.00 0.00 H ATOM 95 N PHE A 7 5.098 -1.805 -0.079 1.00 0.00 N ATOM 96 CA PHE A 7 4.110 -2.223 0.943 1.00 0.00 C ATOM 97 C PHE A 7 3.163 -1.073 1.228 1.00 0.00 C ATOM 98 O PHE A 7 1.970 -1.166 1.019 1.00 0.00 O ATOM 99 CB PHE A 7 4.935 -2.551 2.184 1.00 0.00 C ATOM 100 CG PHE A 7 5.373 -3.998 2.157 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.264 -4.754 0.982 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.895 -4.581 3.316 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.676 -6.091 0.970 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.307 -5.918 3.305 1.00 0.00 C ATOM 105 CZ PHE A 7 6.197 -6.674 2.131 1.00 0.00 C ATOM 106 H PHE A 7 5.951 -1.429 0.202 1.00 0.00 H ATOM 107 HA PHE A 7 3.573 -3.084 0.614 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.805 -1.916 2.211 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.335 -2.377 3.064 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.862 -4.306 0.085 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.979 -3.998 4.221 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.591 -6.674 0.065 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.709 -6.367 4.201 1.00 0.00 H ATOM 114 HZ PHE A 7 6.516 -7.706 2.122 1.00 0.00 H ATOM 115 N TYR A 8 3.689 0.023 1.691 1.00 0.00 N ATOM 116 CA TYR A 8 2.816 1.186 1.971 1.00 0.00 C ATOM 117 C TYR A 8 2.041 1.528 0.702 1.00 0.00 C ATOM 118 O TYR A 8 0.926 2.008 0.751 1.00 0.00 O ATOM 119 CB TYR A 8 3.759 2.321 2.364 1.00 0.00 C ATOM 120 CG TYR A 8 2.958 3.551 2.728 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.635 3.428 3.176 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.543 4.818 2.620 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.901 4.572 3.514 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.808 5.961 2.957 1.00 0.00 C ATOM 125 CZ TYR A 8 1.487 5.837 3.405 1.00 0.00 C ATOM 126 OH TYR A 8 0.763 6.964 3.741 1.00 0.00 O ATOM 127 H TYR A 8 4.657 0.082 1.839 1.00 0.00 H ATOM 128 HA TYR A 8 2.143 0.962 2.779 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.351 2.014 3.213 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.412 2.548 1.536 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.180 2.454 3.261 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.562 4.916 2.276 1.00 0.00 H ATOM 133 HE1 TYR A 8 -0.119 4.478 3.857 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.260 6.938 2.874 1.00 0.00 H ATOM 135 HH TYR A 8 0.472 7.382 2.928 1.00 0.00 H ATOM 136 N ASP A 9 2.621 1.267 -0.442 1.00 0.00 N ATOM 137 CA ASP A 9 1.907 1.563 -1.710 1.00 0.00 C ATOM 138 C ASP A 9 0.804 0.524 -1.937 1.00 0.00 C ATOM 139 O ASP A 9 -0.303 0.847 -2.326 1.00 0.00 O ATOM 140 CB ASP A 9 2.975 1.462 -2.797 1.00 0.00 C ATOM 141 CG ASP A 9 2.375 1.878 -4.142 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.794 2.949 -4.203 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.510 1.120 -5.089 1.00 0.00 O ATOM 144 H ASP A 9 3.522 0.870 -0.465 1.00 0.00 H ATOM 145 HA ASP A 9 1.499 2.555 -1.684 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.800 2.115 -2.551 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.328 0.445 -2.863 1.00 0.00 H ATOM 148 N LYS A 10 1.101 -0.725 -1.692 1.00 0.00 N ATOM 149 CA LYS A 10 0.080 -1.793 -1.886 1.00 0.00 C ATOM 150 C LYS A 10 -1.130 -1.544 -0.984 1.00 0.00 C ATOM 151 O LYS A 10 -2.243 -1.392 -1.447 1.00 0.00 O ATOM 152 CB LYS A 10 0.777 -3.090 -1.480 1.00 0.00 C ATOM 153 CG LYS A 10 0.695 -4.102 -2.626 1.00 0.00 C ATOM 154 CD LYS A 10 1.225 -5.460 -2.154 1.00 0.00 C ATOM 155 CE LYS A 10 0.177 -6.139 -1.270 1.00 0.00 C ATOM 156 NZ LYS A 10 0.957 -6.831 -0.207 1.00 0.00 N ATOM 157 H LYS A 10 1.997 -0.960 -1.377 1.00 0.00 H ATOM 158 HA LYS A 10 -0.217 -1.846 -2.915 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.810 -2.884 -1.254 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.291 -3.497 -0.610 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.335 -4.206 -2.939 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.290 -3.754 -3.455 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.427 -6.084 -3.014 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.134 -5.319 -1.590 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.482 -5.399 -0.835 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.389 -6.857 -1.842 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.373 -6.923 0.647 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.810 -6.277 0.011 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.232 -7.776 -0.540 1.00 0.00 H ATOM 170 N VAL A 11 -0.919 -1.515 0.301 1.00 0.00 N ATOM 171 CA VAL A 11 -2.051 -1.293 1.242 1.00 0.00 C ATOM 172 C VAL A 11 -2.869 -0.065 0.832 1.00 0.00 C ATOM 173 O VAL A 11 -4.081 -0.092 0.845 1.00 0.00 O ATOM 174 CB VAL A 11 -1.397 -1.079 2.606 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.689 -2.364 3.038 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.369 0.050 2.509 1.00 0.00 C ATOM 177 H VAL A 11 -0.013 -1.651 0.652 1.00 0.00 H ATOM 178 HA VAL A 11 -2.684 -2.165 1.271 1.00 0.00 H ATOM 179 HB VAL A 11 -2.152 -0.819 3.334 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.238 -2.219 4.009 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.079 -2.611 2.320 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.405 -3.170 3.091 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.874 1.004 2.548 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.171 -0.035 1.577 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.326 -0.023 3.333 1.00 0.00 H ATOM 186 N ALA A 12 -2.225 1.010 0.479 1.00 0.00 N ATOM 187 CA ALA A 12 -2.985 2.228 0.082 1.00 0.00 C ATOM 188 C ALA A 12 -3.867 1.943 -1.128 1.00 0.00 C ATOM 189 O ALA A 12 -4.896 2.561 -1.316 1.00 0.00 O ATOM 190 CB ALA A 12 -1.927 3.269 -0.251 1.00 0.00 C ATOM 191 H ALA A 12 -1.248 1.020 0.480 1.00 0.00 H ATOM 192 HA ALA A 12 -3.587 2.571 0.896 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.513 3.059 -1.225 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.145 3.231 0.491 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.379 4.249 -0.251 1.00 0.00 H ATOM 196 N GLU A 13 -3.488 1.005 -1.944 1.00 0.00 N ATOM 197 CA GLU A 13 -4.327 0.687 -3.123 1.00 0.00 C ATOM 198 C GLU A 13 -5.414 -0.299 -2.709 1.00 0.00 C ATOM 199 O GLU A 13 -6.472 -0.382 -3.311 1.00 0.00 O ATOM 200 CB GLU A 13 -3.378 0.067 -4.141 1.00 0.00 C ATOM 201 CG GLU A 13 -3.291 0.977 -5.367 1.00 0.00 C ATOM 202 CD GLU A 13 -2.844 0.157 -6.578 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.127 -0.810 -6.381 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.230 0.508 -7.680 1.00 0.00 O ATOM 205 H GLU A 13 -2.664 0.508 -1.778 1.00 0.00 H ATOM 206 HA GLU A 13 -4.759 1.579 -3.520 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.400 -0.038 -3.698 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.749 -0.900 -4.438 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.262 1.411 -5.562 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.575 1.763 -5.182 1.00 0.00 H ATOM 211 N LYS A 14 -5.177 -1.018 -1.653 1.00 0.00 N ATOM 212 CA LYS A 14 -6.186 -1.963 -1.169 1.00 0.00 C ATOM 213 C LYS A 14 -7.143 -1.189 -0.294 1.00 0.00 C ATOM 214 O LYS A 14 -8.288 -1.530 -0.167 1.00 0.00 O ATOM 215 CB LYS A 14 -5.411 -3.003 -0.360 1.00 0.00 C ATOM 216 CG LYS A 14 -6.378 -3.784 0.526 1.00 0.00 C ATOM 217 CD LYS A 14 -6.396 -3.169 1.927 1.00 0.00 C ATOM 218 CE LYS A 14 -5.034 -3.376 2.593 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.876 -2.210 3.507 1.00 0.00 N ATOM 220 H LYS A 14 -4.350 -0.907 -1.157 1.00 0.00 H ATOM 221 HA LYS A 14 -6.698 -2.420 -1.992 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.908 -3.682 -1.033 1.00 0.00 H ATOM 223 HB3 LYS A 14 -4.681 -2.503 0.258 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.371 -3.741 0.100 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.058 -4.812 0.591 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.604 -2.112 1.854 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.160 -3.648 2.521 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.027 -4.301 3.154 1.00 0.00 H ATOM 229 HE3 LYS A 14 -4.248 -3.375 1.854 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.672 -2.182 4.175 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.859 -1.332 2.949 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -3.986 -2.301 4.036 1.00 0.00 H ATOM 233 N PHE A 15 -6.667 -0.119 0.279 1.00 0.00 N ATOM 234 CA PHE A 15 -7.530 0.730 1.127 1.00 0.00 C ATOM 235 C PHE A 15 -8.396 1.581 0.216 1.00 0.00 C ATOM 236 O PHE A 15 -9.517 1.927 0.533 1.00 0.00 O ATOM 237 CB PHE A 15 -6.562 1.595 1.929 1.00 0.00 C ATOM 238 CG PHE A 15 -7.219 2.050 3.210 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.647 1.108 4.153 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.392 3.417 3.457 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.252 1.534 5.344 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.996 3.844 4.647 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.426 2.902 5.591 1.00 0.00 C ATOM 244 H PHE A 15 -5.741 0.140 0.124 1.00 0.00 H ATOM 245 HA PHE A 15 -8.127 0.129 1.775 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.680 1.019 2.162 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.286 2.457 1.342 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.511 0.055 3.962 1.00 0.00 H ATOM 249 HD2 PHE A 15 -7.061 4.144 2.730 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.582 0.807 6.071 1.00 0.00 H ATOM 251 HE2 PHE A 15 -8.130 4.898 4.837 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.891 3.230 6.508 1.00 0.00 H ATOM 253 N LYS A 16 -7.877 1.898 -0.936 1.00 0.00 N ATOM 254 CA LYS A 16 -8.656 2.703 -1.904 1.00 0.00 C ATOM 255 C LYS A 16 -9.770 1.836 -2.483 1.00 0.00 C ATOM 256 O LYS A 16 -10.842 2.311 -2.802 1.00 0.00 O ATOM 257 CB LYS A 16 -7.656 3.106 -2.983 1.00 0.00 C ATOM 258 CG LYS A 16 -6.737 4.200 -2.438 1.00 0.00 C ATOM 259 CD LYS A 16 -5.471 4.284 -3.292 1.00 0.00 C ATOM 260 CE LYS A 16 -5.478 5.593 -4.085 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.038 5.217 -5.457 1.00 0.00 N ATOM 262 H LYS A 16 -6.977 1.587 -1.167 1.00 0.00 H ATOM 263 HA LYS A 16 -9.061 3.574 -1.426 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.068 2.246 -3.266 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.188 3.482 -3.843 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.253 5.150 -2.465 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.466 3.967 -1.419 1.00 0.00 H ATOM 268 HD2 LYS A 16 -4.601 4.254 -2.650 1.00 0.00 H ATOM 269 HD3 LYS A 16 -5.442 3.450 -3.977 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.474 6.012 -4.109 1.00 0.00 H ATOM 271 HE3 LYS A 16 -4.782 6.298 -3.655 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.799 4.692 -5.933 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -4.188 4.619 -5.396 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -4.820 6.076 -6.000 1.00 0.00 H ATOM 275 N GLU A 17 -9.527 0.558 -2.602 1.00 0.00 N ATOM 276 CA GLU A 17 -10.572 -0.349 -3.138 1.00 0.00 C ATOM 277 C GLU A 17 -11.294 -1.034 -1.975 1.00 0.00 C ATOM 278 O GLU A 17 -12.402 -1.518 -2.108 1.00 0.00 O ATOM 279 CB GLU A 17 -9.819 -1.372 -3.987 1.00 0.00 C ATOM 280 CG GLU A 17 -9.059 -2.333 -3.073 1.00 0.00 C ATOM 281 CD GLU A 17 -8.021 -3.102 -3.892 1.00 0.00 C ATOM 282 OE1 GLU A 17 -7.533 -2.546 -4.864 1.00 0.00 O ATOM 283 OE2 GLU A 17 -7.732 -4.230 -3.536 1.00 0.00 O ATOM 284 H GLU A 17 -8.658 0.194 -2.326 1.00 0.00 H ATOM 285 HA GLU A 17 -11.264 0.201 -3.746 1.00 0.00 H ATOM 286 HB2 GLU A 17 -10.523 -1.927 -4.591 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.119 -0.861 -4.631 1.00 0.00 H ATOM 288 HG2 GLU A 17 -8.562 -1.771 -2.295 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.752 -3.030 -2.628 1.00 0.00 H ATOM 290 N ALA A 18 -10.668 -1.069 -0.829 1.00 0.00 N ATOM 291 CA ALA A 18 -11.295 -1.709 0.358 1.00 0.00 C ATOM 292 C ALA A 18 -12.398 -0.808 0.911 1.00 0.00 C ATOM 293 O ALA A 18 -13.315 -1.261 1.566 1.00 0.00 O ATOM 294 CB ALA A 18 -10.159 -1.858 1.373 1.00 0.00 C ATOM 295 H ALA A 18 -9.783 -0.669 -0.752 1.00 0.00 H ATOM 296 HA ALA A 18 -11.687 -2.676 0.098 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.523 -2.684 1.083 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.565 -2.042 2.353 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.572 -0.949 1.389 1.00 0.00 H ATOM 300 N PHE A 19 -12.313 0.468 0.652 1.00 0.00 N ATOM 301 CA PHE A 19 -13.349 1.398 1.157 1.00 0.00 C ATOM 302 C PHE A 19 -14.033 2.118 -0.009 1.00 0.00 C ATOM 303 O PHE A 19 -15.235 2.036 -0.173 1.00 0.00 O ATOM 304 CB PHE A 19 -12.596 2.388 2.039 1.00 0.00 C ATOM 305 CG PHE A 19 -12.906 2.108 3.492 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.113 1.208 4.217 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.983 2.749 4.114 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.398 0.951 5.563 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.267 2.491 5.461 1.00 0.00 C ATOM 310 CZ PHE A 19 -13.474 1.593 6.186 1.00 0.00 C ATOM 311 H PHE A 19 -11.569 0.811 0.125 1.00 0.00 H ATOM 312 HA PHE A 19 -14.066 0.864 1.743 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.536 2.281 1.870 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.903 3.391 1.794 1.00 0.00 H ATOM 315 HD1 PHE A 19 -11.283 0.713 3.737 1.00 0.00 H ATOM 316 HD2 PHE A 19 -14.597 3.440 3.556 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.786 0.257 6.121 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.099 2.986 5.941 1.00 0.00 H ATOM 319 HZ PHE A 19 -13.691 1.397 7.226 1.00 0.00 H HETATM 320 N NH2 A 20 -13.312 2.822 -0.839 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.740 3.280 -1.592 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.341 2.891 -0.709 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 47 HETATM 1 C ACE A 1 11.861 -1.691 -0.781 1.00 0.00 C HETATM 2 O ACE A 1 11.018 -0.978 -0.274 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.256 -1.819 -0.190 1.00 0.00 C HETATM 4 H1 ACE A 1 13.258 -2.614 0.542 1.00 0.00 H HETATM 5 H2 ACE A 1 13.533 -0.893 0.283 1.00 0.00 H HETATM 6 H3 ACE A 1 13.956 -2.053 -0.976 1.00 0.00 H ATOM 7 N ASP A 2 11.600 -2.410 -1.833 1.00 0.00 N ATOM 8 CA ASP A 2 10.249 -2.372 -2.437 1.00 0.00 C ATOM 9 C ASP A 2 9.256 -2.888 -1.402 1.00 0.00 C ATOM 10 O ASP A 2 8.063 -2.778 -1.529 1.00 0.00 O ATOM 11 CB ASP A 2 10.324 -3.317 -3.636 1.00 0.00 C ATOM 12 CG ASP A 2 11.272 -2.741 -4.689 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.044 -1.621 -5.112 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.209 -3.432 -5.055 1.00 0.00 O ATOM 15 H ASP A 2 12.282 -2.998 -2.201 1.00 0.00 H ATOM 16 HA ASP A 2 9.998 -1.377 -2.757 1.00 0.00 H ATOM 17 HB2 ASP A 2 10.690 -4.280 -3.308 1.00 0.00 H ATOM 18 HB3 ASP A 2 9.340 -3.432 -4.064 1.00 0.00 H ATOM 19 N TRP A 3 9.742 -3.461 -0.364 1.00 0.00 N ATOM 20 CA TRP A 3 8.823 -3.978 0.661 1.00 0.00 C ATOM 21 C TRP A 3 8.472 -2.813 1.552 1.00 0.00 C ATOM 22 O TRP A 3 7.389 -2.704 2.073 1.00 0.00 O ATOM 23 CB TRP A 3 9.585 -5.108 1.361 1.00 0.00 C ATOM 24 CG TRP A 3 10.419 -5.758 0.309 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.039 -5.882 -0.984 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.749 -6.310 0.399 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.069 -6.415 -1.704 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.147 -6.733 -0.892 1.00 0.00 C ATOM 29 CE3 TRP A 3 12.637 -6.476 1.461 1.00 0.00 C ATOM 30 CZ2 TRP A 3 13.399 -7.302 -1.113 1.00 0.00 C ATOM 31 CZ3 TRP A 3 13.895 -7.057 1.248 1.00 0.00 C ATOM 32 CH2 TRP A 3 14.277 -7.468 -0.038 1.00 0.00 C ATOM 33 H TRP A 3 10.705 -3.559 -0.254 1.00 0.00 H ATOM 34 HA TRP A 3 7.955 -4.364 0.189 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.214 -4.702 2.140 1.00 0.00 H ATOM 36 HB3 TRP A 3 8.892 -5.823 1.775 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.094 -5.555 -1.393 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.046 -6.571 -2.667 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.343 -6.160 2.449 1.00 0.00 H ATOM 40 HZ2 TRP A 3 13.687 -7.608 -2.106 1.00 0.00 H ATOM 41 HZ3 TRP A 3 14.574 -7.185 2.075 1.00 0.00 H ATOM 42 HH2 TRP A 3 15.248 -7.913 -0.197 1.00 0.00 H ATOM 43 N PHE A 4 9.371 -1.886 1.649 1.00 0.00 N ATOM 44 CA PHE A 4 9.089 -0.675 2.427 1.00 0.00 C ATOM 45 C PHE A 4 8.142 0.202 1.606 1.00 0.00 C ATOM 46 O PHE A 4 7.061 0.565 2.039 1.00 0.00 O ATOM 47 CB PHE A 4 10.454 -0.006 2.590 1.00 0.00 C ATOM 48 CG PHE A 4 10.320 1.257 3.404 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.417 1.314 4.470 1.00 0.00 C ATOM 50 CD2 PHE A 4 11.108 2.371 3.091 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.301 2.486 5.226 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.993 3.542 3.846 1.00 0.00 C ATOM 53 CZ PHE A 4 10.089 3.601 4.914 1.00 0.00 C ATOM 54 H PHE A 4 10.213 -1.964 1.158 1.00 0.00 H ATOM 55 HA PHE A 4 8.672 -0.923 3.382 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.126 -0.685 3.092 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.850 0.236 1.616 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.810 0.454 4.711 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.804 2.327 2.267 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.604 2.531 6.050 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.602 4.401 3.606 1.00 0.00 H ATOM 62 HZ PHE A 4 10.000 4.505 5.498 1.00 0.00 H ATOM 63 N LYS A 5 8.547 0.535 0.406 1.00 0.00 N ATOM 64 CA LYS A 5 7.696 1.395 -0.454 1.00 0.00 C ATOM 65 C LYS A 5 6.805 0.592 -1.418 1.00 0.00 C ATOM 66 O LYS A 5 5.697 1.005 -1.694 1.00 0.00 O ATOM 67 CB LYS A 5 8.667 2.292 -1.228 1.00 0.00 C ATOM 68 CG LYS A 5 9.555 1.448 -2.141 1.00 0.00 C ATOM 69 CD LYS A 5 10.053 2.317 -3.299 1.00 0.00 C ATOM 70 CE LYS A 5 11.434 1.837 -3.752 1.00 0.00 C ATOM 71 NZ LYS A 5 12.341 2.997 -3.519 1.00 0.00 N ATOM 72 H LYS A 5 9.412 0.226 0.081 1.00 0.00 H ATOM 73 HA LYS A 5 7.078 2.011 0.173 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.102 2.991 -1.829 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.286 2.838 -0.532 1.00 0.00 H ATOM 76 HG2 LYS A 5 10.398 1.073 -1.577 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.987 0.621 -2.533 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.359 2.246 -4.124 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.120 3.343 -2.974 1.00 0.00 H ATOM 80 HE2 LYS A 5 11.747 0.985 -3.163 1.00 0.00 H ATOM 81 HE3 LYS A 5 11.417 1.586 -4.801 1.00 0.00 H ATOM 82 HZ1 LYS A 5 12.563 3.066 -2.505 1.00 0.00 H ATOM 83 HZ2 LYS A 5 11.872 3.871 -3.833 1.00 0.00 H ATOM 84 HZ3 LYS A 5 13.221 2.860 -4.056 1.00 0.00 H ATOM 85 N ALA A 6 7.229 -0.534 -1.956 1.00 0.00 N ATOM 86 CA ALA A 6 6.297 -1.230 -2.884 1.00 0.00 C ATOM 87 C ALA A 6 5.137 -1.840 -2.095 1.00 0.00 C ATOM 88 O ALA A 6 4.062 -2.024 -2.629 1.00 0.00 O ATOM 89 CB ALA A 6 7.096 -2.287 -3.638 1.00 0.00 C ATOM 90 H ALA A 6 8.120 -0.907 -1.764 1.00 0.00 H ATOM 91 HA ALA A 6 5.912 -0.519 -3.588 1.00 0.00 H ATOM 92 HB1 ALA A 6 8.149 -2.063 -3.560 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.802 -2.279 -4.678 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.897 -3.258 -3.213 1.00 0.00 H ATOM 95 N PHE A 7 5.308 -2.129 -0.822 1.00 0.00 N ATOM 96 CA PHE A 7 4.147 -2.679 -0.071 1.00 0.00 C ATOM 97 C PHE A 7 3.280 -1.526 0.438 1.00 0.00 C ATOM 98 O PHE A 7 2.072 -1.546 0.303 1.00 0.00 O ATOM 99 CB PHE A 7 4.708 -3.479 1.099 1.00 0.00 C ATOM 100 CG PHE A 7 5.032 -4.893 0.665 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.179 -5.579 -0.212 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.186 -5.520 1.148 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.486 -6.888 -0.605 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.491 -6.828 0.756 1.00 0.00 C ATOM 105 CZ PHE A 7 5.642 -7.512 -0.121 1.00 0.00 C ATOM 106 H PHE A 7 6.170 -1.965 -0.366 1.00 0.00 H ATOM 107 HA PHE A 7 3.575 -3.316 -0.709 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.594 -2.999 1.454 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.975 -3.509 1.890 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.286 -5.102 -0.584 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.843 -4.992 1.823 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.831 -7.416 -1.281 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.383 -7.311 1.131 1.00 0.00 H ATOM 114 HZ PHE A 7 5.878 -8.523 -0.423 1.00 0.00 H ATOM 115 N TYR A 8 3.875 -0.510 1.017 1.00 0.00 N ATOM 116 CA TYR A 8 3.050 0.629 1.509 1.00 0.00 C ATOM 117 C TYR A 8 2.193 1.169 0.362 1.00 0.00 C ATOM 118 O TYR A 8 1.091 1.643 0.562 1.00 0.00 O ATOM 119 CB TYR A 8 4.061 1.682 1.986 1.00 0.00 C ATOM 120 CG TYR A 8 3.453 3.067 1.898 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.459 3.756 0.680 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.884 3.659 3.033 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.898 5.036 0.595 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.322 4.940 2.948 1.00 0.00 C ATOM 125 CZ TYR A 8 2.330 5.628 1.728 1.00 0.00 C ATOM 126 OH TYR A 8 1.778 6.890 1.644 1.00 0.00 O ATOM 127 H TYR A 8 4.857 -0.492 1.121 1.00 0.00 H ATOM 128 HA TYR A 8 2.427 0.311 2.329 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.335 1.476 3.009 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.943 1.639 1.363 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.898 3.300 -0.197 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.879 3.129 3.974 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.902 5.568 -0.346 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.883 5.397 3.822 1.00 0.00 H ATOM 135 HH TYR A 8 2.437 7.521 1.942 1.00 0.00 H ATOM 136 N ASP A 9 2.696 1.103 -0.840 1.00 0.00 N ATOM 137 CA ASP A 9 1.923 1.610 -2.003 1.00 0.00 C ATOM 138 C ASP A 9 0.808 0.626 -2.365 1.00 0.00 C ATOM 139 O ASP A 9 -0.351 0.982 -2.431 1.00 0.00 O ATOM 140 CB ASP A 9 2.943 1.716 -3.133 1.00 0.00 C ATOM 141 CG ASP A 9 2.580 2.886 -4.050 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.196 3.922 -3.533 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.691 2.726 -5.254 1.00 0.00 O ATOM 144 H ASP A 9 3.583 0.720 -0.976 1.00 0.00 H ATOM 145 HA ASP A 9 1.518 2.578 -1.786 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.925 1.882 -2.712 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.945 0.801 -3.703 1.00 0.00 H ATOM 148 N LYS A 10 1.154 -0.611 -2.595 1.00 0.00 N ATOM 149 CA LYS A 10 0.119 -1.623 -2.948 1.00 0.00 C ATOM 150 C LYS A 10 -1.013 -1.598 -1.919 1.00 0.00 C ATOM 151 O LYS A 10 -2.172 -1.474 -2.262 1.00 0.00 O ATOM 152 CB LYS A 10 0.845 -2.962 -2.914 1.00 0.00 C ATOM 153 CG LYS A 10 1.059 -3.462 -4.343 1.00 0.00 C ATOM 154 CD LYS A 10 1.053 -4.992 -4.353 1.00 0.00 C ATOM 155 CE LYS A 10 2.368 -5.503 -4.942 1.00 0.00 C ATOM 156 NZ LYS A 10 2.141 -6.958 -5.165 1.00 0.00 N ATOM 157 H LYS A 10 2.095 -0.875 -2.532 1.00 0.00 H ATOM 158 HA LYS A 10 -0.265 -1.443 -3.936 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.802 -2.837 -2.427 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.253 -3.679 -2.368 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.264 -3.095 -4.975 1.00 0.00 H ATOM 162 HG3 LYS A 10 2.009 -3.105 -4.711 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.945 -5.359 -3.344 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.230 -5.346 -4.956 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.579 -5.003 -5.878 1.00 0.00 H ATOM 166 HE3 LYS A 10 3.176 -5.356 -4.242 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.669 -7.368 -4.335 1.00 0.00 H ATOM 168 HZ2 LYS A 10 3.055 -7.433 -5.314 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.541 -7.091 -6.002 1.00 0.00 H ATOM 170 N VAL A 11 -0.689 -1.710 -0.660 1.00 0.00 N ATOM 171 CA VAL A 11 -1.754 -1.686 0.379 1.00 0.00 C ATOM 172 C VAL A 11 -2.632 -0.447 0.191 1.00 0.00 C ATOM 173 O VAL A 11 -3.844 -0.525 0.221 1.00 0.00 O ATOM 174 CB VAL A 11 -1.014 -1.643 1.717 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.367 -3.006 1.975 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.072 -0.560 1.685 1.00 0.00 C ATOM 177 H VAL A 11 0.251 -1.806 -0.398 1.00 0.00 H ATOM 178 HA VAL A 11 -2.353 -2.581 0.320 1.00 0.00 H ATOM 179 HB VAL A 11 -1.717 -1.426 2.507 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.557 -3.659 1.134 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.789 -3.442 2.870 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.698 -2.883 2.101 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.309 -0.309 0.663 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.958 -0.927 2.181 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.285 0.322 2.197 1.00 0.00 H ATOM 186 N ALA A 12 -2.032 0.694 -0.021 1.00 0.00 N ATOM 187 CA ALA A 12 -2.838 1.927 -0.230 1.00 0.00 C ATOM 188 C ALA A 12 -3.843 1.694 -1.351 1.00 0.00 C ATOM 189 O ALA A 12 -4.930 2.231 -1.339 1.00 0.00 O ATOM 190 CB ALA A 12 -1.831 3.003 -0.613 1.00 0.00 C ATOM 191 H ALA A 12 -1.054 0.735 -0.055 1.00 0.00 H ATOM 192 HA ALA A 12 -3.349 2.206 0.669 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.798 3.096 -1.687 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.856 2.728 -0.241 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.132 3.944 -0.178 1.00 0.00 H ATOM 196 N GLU A 13 -3.499 0.879 -2.307 1.00 0.00 N ATOM 197 CA GLU A 13 -4.455 0.594 -3.402 1.00 0.00 C ATOM 198 C GLU A 13 -5.576 -0.276 -2.845 1.00 0.00 C ATOM 199 O GLU A 13 -6.705 -0.239 -3.300 1.00 0.00 O ATOM 200 CB GLU A 13 -3.647 -0.157 -4.460 1.00 0.00 C ATOM 201 CG GLU A 13 -4.520 -0.409 -5.694 1.00 0.00 C ATOM 202 CD GLU A 13 -5.274 0.873 -6.062 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.650 1.923 -6.067 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.458 0.781 -6.334 1.00 0.00 O ATOM 205 H GLU A 13 -2.626 0.443 -2.293 1.00 0.00 H ATOM 206 HA GLU A 13 -4.844 1.508 -3.804 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.788 0.432 -4.740 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.321 -1.102 -4.054 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.894 -0.709 -6.521 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.230 -1.192 -5.478 1.00 0.00 H ATOM 211 N LYS A 14 -5.273 -1.033 -1.828 1.00 0.00 N ATOM 212 CA LYS A 14 -6.301 -1.874 -1.204 1.00 0.00 C ATOM 213 C LYS A 14 -7.108 -0.988 -0.278 1.00 0.00 C ATOM 214 O LYS A 14 -8.268 -1.215 -0.049 1.00 0.00 O ATOM 215 CB LYS A 14 -5.534 -2.943 -0.428 1.00 0.00 C ATOM 216 CG LYS A 14 -4.555 -3.653 -1.369 1.00 0.00 C ATOM 217 CD LYS A 14 -3.748 -4.691 -0.586 1.00 0.00 C ATOM 218 CE LYS A 14 -4.445 -6.053 -0.678 1.00 0.00 C ATOM 219 NZ LYS A 14 -3.679 -6.812 -1.709 1.00 0.00 N ATOM 220 H LYS A 14 -4.379 -1.022 -1.456 1.00 0.00 H ATOM 221 HA LYS A 14 -6.926 -2.320 -1.952 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.987 -2.478 0.379 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.228 -3.665 -0.025 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.106 -4.145 -2.157 1.00 0.00 H ATOM 225 HG3 LYS A 14 -3.880 -2.928 -1.800 1.00 0.00 H ATOM 226 HD2 LYS A 14 -2.755 -4.766 -1.004 1.00 0.00 H ATOM 227 HD3 LYS A 14 -3.683 -4.393 0.450 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.402 -6.559 0.275 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.469 -5.929 -0.994 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.343 -7.319 -2.328 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -3.051 -7.495 -1.238 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -3.110 -6.154 -2.279 1.00 0.00 H ATOM 233 N PHE A 15 -6.498 0.054 0.223 1.00 0.00 N ATOM 234 CA PHE A 15 -7.238 0.992 1.099 1.00 0.00 C ATOM 235 C PHE A 15 -8.248 1.730 0.238 1.00 0.00 C ATOM 236 O PHE A 15 -9.347 2.035 0.656 1.00 0.00 O ATOM 237 CB PHE A 15 -6.190 1.956 1.649 1.00 0.00 C ATOM 238 CG PHE A 15 -6.021 1.748 3.135 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.559 0.522 3.630 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.323 2.790 4.021 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.400 0.339 5.009 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.163 2.608 5.399 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.701 1.382 5.894 1.00 0.00 C ATOM 244 H PHE A 15 -5.565 0.233 -0.009 1.00 0.00 H ATOM 245 HA PHE A 15 -7.721 0.467 1.894 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.249 1.783 1.154 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.513 2.969 1.468 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.325 -0.284 2.948 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.679 3.735 3.639 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.043 -0.606 5.391 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.395 3.413 6.079 1.00 0.00 H ATOM 252 HZ PHE A 15 -5.578 1.241 6.957 1.00 0.00 H ATOM 253 N LYS A 16 -7.880 1.992 -0.986 1.00 0.00 N ATOM 254 CA LYS A 16 -8.812 2.683 -1.912 1.00 0.00 C ATOM 255 C LYS A 16 -9.920 1.709 -2.307 1.00 0.00 C ATOM 256 O LYS A 16 -11.036 2.097 -2.590 1.00 0.00 O ATOM 257 CB LYS A 16 -7.972 3.070 -3.126 1.00 0.00 C ATOM 258 CG LYS A 16 -8.447 4.419 -3.668 1.00 0.00 C ATOM 259 CD LYS A 16 -9.165 4.210 -5.003 1.00 0.00 C ATOM 260 CE LYS A 16 -8.684 5.254 -6.013 1.00 0.00 C ATOM 261 NZ LYS A 16 -9.440 6.491 -5.676 1.00 0.00 N ATOM 262 H LYS A 16 -6.993 1.713 -1.297 1.00 0.00 H ATOM 263 HA LYS A 16 -9.217 3.560 -1.448 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.934 3.143 -2.836 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.083 2.318 -3.890 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.127 4.873 -2.961 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.598 5.068 -3.818 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.947 3.219 -5.376 1.00 0.00 H ATOM 269 HD3 LYS A 16 -10.231 4.315 -4.859 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.620 5.417 -5.906 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.918 4.939 -7.019 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -10.416 6.408 -6.024 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.979 7.311 -6.123 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -9.452 6.619 -4.644 1.00 0.00 H ATOM 275 N GLU A 17 -9.614 0.437 -2.309 1.00 0.00 N ATOM 276 CA GLU A 17 -10.636 -0.582 -2.660 1.00 0.00 C ATOM 277 C GLU A 17 -11.189 -1.214 -1.382 1.00 0.00 C ATOM 278 O GLU A 17 -12.117 -1.998 -1.409 1.00 0.00 O ATOM 279 CB GLU A 17 -9.891 -1.624 -3.486 1.00 0.00 C ATOM 280 CG GLU A 17 -10.262 -1.468 -4.960 1.00 0.00 C ATOM 281 CD GLU A 17 -11.685 -1.984 -5.181 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.002 -3.034 -4.645 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.433 -1.321 -5.880 1.00 0.00 O ATOM 284 H GLU A 17 -8.712 0.153 -2.066 1.00 0.00 H ATOM 285 HA GLU A 17 -11.418 -0.144 -3.237 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.828 -1.486 -3.364 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.169 -2.611 -3.150 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.208 -0.425 -5.237 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.575 -2.039 -5.567 1.00 0.00 H ATOM 290 N ALA A 18 -10.611 -0.880 -0.262 1.00 0.00 N ATOM 291 CA ALA A 18 -11.068 -1.445 1.030 1.00 0.00 C ATOM 292 C ALA A 18 -12.155 -0.545 1.621 1.00 0.00 C ATOM 293 O ALA A 18 -12.983 -0.976 2.399 1.00 0.00 O ATOM 294 CB ALA A 18 -9.811 -1.456 1.906 1.00 0.00 C ATOM 295 H ALA A 18 -9.864 -0.255 -0.271 1.00 0.00 H ATOM 296 HA ALA A 18 -11.433 -2.444 0.891 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.088 -1.479 2.946 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.229 -0.566 1.706 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.214 -2.328 1.670 1.00 0.00 H ATOM 300 N PHE A 19 -12.164 0.704 1.242 1.00 0.00 N ATOM 301 CA PHE A 19 -13.198 1.637 1.758 1.00 0.00 C ATOM 302 C PHE A 19 -14.414 1.634 0.826 1.00 0.00 C ATOM 303 O PHE A 19 -14.376 1.063 -0.245 1.00 0.00 O ATOM 304 CB PHE A 19 -12.538 3.015 1.766 1.00 0.00 C ATOM 305 CG PHE A 19 -11.497 3.104 2.863 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.544 2.245 3.974 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.481 4.061 2.767 1.00 0.00 C ATOM 308 CE1 PHE A 19 -10.578 2.351 4.981 1.00 0.00 C ATOM 309 CE2 PHE A 19 -9.515 4.164 3.774 1.00 0.00 C ATOM 310 CZ PHE A 19 -9.564 3.310 4.880 1.00 0.00 C ATOM 311 H PHE A 19 -11.494 1.025 0.609 1.00 0.00 H ATOM 312 HA PHE A 19 -13.488 1.360 2.748 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.064 3.188 0.812 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.293 3.769 1.931 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.323 1.504 4.058 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.442 4.720 1.914 1.00 0.00 H ATOM 317 HE1 PHE A 19 -10.615 1.692 5.837 1.00 0.00 H ATOM 318 HE2 PHE A 19 -8.732 4.904 3.698 1.00 0.00 H ATOM 319 HZ PHE A 19 -8.818 3.392 5.659 1.00 0.00 H HETATM 320 N NH2 A 20 -15.499 2.259 1.192 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -16.281 2.268 0.603 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -15.531 2.720 2.056 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 48 HETATM 1 C ACE A 1 12.002 -1.548 -0.137 1.00 0.00 C HETATM 2 O ACE A 1 11.059 -0.802 -0.320 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.893 -1.406 1.087 1.00 0.00 C HETATM 4 H1 ACE A 1 12.763 -0.424 1.510 1.00 0.00 H HETATM 5 H2 ACE A 1 13.923 -1.547 0.801 1.00 0.00 H HETATM 6 H3 ACE A 1 12.616 -2.154 1.816 1.00 0.00 H ATOM 7 N ASP A 2 12.260 -2.522 -0.959 1.00 0.00 N ATOM 8 CA ASP A 2 11.396 -2.727 -2.126 1.00 0.00 C ATOM 9 C ASP A 2 10.053 -3.113 -1.562 1.00 0.00 C ATOM 10 O ASP A 2 9.023 -2.741 -2.063 1.00 0.00 O ATOM 11 CB ASP A 2 12.023 -3.886 -2.903 1.00 0.00 C ATOM 12 CG ASP A 2 12.144 -5.106 -1.986 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.524 -4.927 -0.841 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.853 -6.199 -2.444 1.00 0.00 O ATOM 15 H ASP A 2 12.986 -3.135 -0.785 1.00 0.00 H ATOM 16 HA ASP A 2 11.335 -1.837 -2.730 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.398 -4.132 -3.750 1.00 0.00 H ATOM 18 HB3 ASP A 2 13.004 -3.600 -3.249 1.00 0.00 H ATOM 19 N TRP A 3 10.092 -3.847 -0.483 1.00 0.00 N ATOM 20 CA TRP A 3 8.850 -4.282 0.194 1.00 0.00 C ATOM 21 C TRP A 3 8.123 -3.070 0.795 1.00 0.00 C ATOM 22 O TRP A 3 6.951 -3.127 1.098 1.00 0.00 O ATOM 23 CB TRP A 3 9.323 -5.228 1.315 1.00 0.00 C ATOM 24 CG TRP A 3 9.758 -4.394 2.476 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.572 -3.328 2.370 1.00 0.00 C ATOM 26 CD2 TRP A 3 9.410 -4.507 3.888 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.714 -2.745 3.600 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.039 -3.445 4.582 1.00 0.00 C ATOM 29 CE3 TRP A 3 8.621 -5.408 4.626 1.00 0.00 C ATOM 30 CZ2 TRP A 3 9.888 -3.279 5.958 1.00 0.00 C ATOM 31 CZ3 TRP A 3 8.470 -5.247 6.013 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.104 -4.186 6.679 1.00 0.00 C ATOM 33 H TRP A 3 10.956 -4.099 -0.106 1.00 0.00 H ATOM 34 HA TRP A 3 8.224 -4.804 -0.490 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.510 -5.874 1.612 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.153 -5.822 0.965 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.012 -2.965 1.455 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.234 -1.940 3.772 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.127 -6.225 4.123 1.00 0.00 H ATOM 40 HZ2 TRP A 3 10.379 -2.460 6.465 1.00 0.00 H ATOM 41 HZ3 TRP A 3 7.868 -5.946 6.573 1.00 0.00 H ATOM 42 HH2 TRP A 3 8.984 -4.068 7.745 1.00 0.00 H ATOM 43 N PHE A 4 8.819 -1.978 0.977 1.00 0.00 N ATOM 44 CA PHE A 4 8.185 -0.779 1.570 1.00 0.00 C ATOM 45 C PHE A 4 7.447 -0.055 0.474 1.00 0.00 C ATOM 46 O PHE A 4 6.235 0.012 0.453 1.00 0.00 O ATOM 47 CB PHE A 4 9.338 0.067 2.097 1.00 0.00 C ATOM 48 CG PHE A 4 8.880 0.848 3.307 1.00 0.00 C ATOM 49 CD1 PHE A 4 7.766 1.689 3.217 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.572 0.730 4.518 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.338 2.409 4.340 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.146 1.450 5.640 1.00 0.00 C ATOM 53 CZ PHE A 4 8.030 2.291 5.551 1.00 0.00 C ATOM 54 H PHE A 4 9.758 -1.947 0.723 1.00 0.00 H ATOM 55 HA PHE A 4 7.526 -1.053 2.368 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.155 -0.581 2.376 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.663 0.751 1.328 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.232 1.782 2.284 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.433 0.082 4.587 1.00 0.00 H ATOM 60 HE1 PHE A 4 6.477 3.058 4.269 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.679 1.358 6.575 1.00 0.00 H ATOM 62 HZ PHE A 4 7.700 2.844 6.417 1.00 0.00 H ATOM 63 N LYS A 5 8.172 0.438 -0.477 1.00 0.00 N ATOM 64 CA LYS A 5 7.500 1.099 -1.607 1.00 0.00 C ATOM 65 C LYS A 5 6.540 0.076 -2.204 1.00 0.00 C ATOM 66 O LYS A 5 5.571 0.410 -2.856 1.00 0.00 O ATOM 67 CB LYS A 5 8.612 1.465 -2.589 1.00 0.00 C ATOM 68 CG LYS A 5 8.133 2.588 -3.514 1.00 0.00 C ATOM 69 CD LYS A 5 7.946 3.873 -2.703 1.00 0.00 C ATOM 70 CE LYS A 5 6.462 4.248 -2.669 1.00 0.00 C ATOM 71 NZ LYS A 5 6.291 5.261 -3.748 1.00 0.00 N ATOM 72 H LYS A 5 9.147 0.329 -0.465 1.00 0.00 H ATOM 73 HA LYS A 5 6.976 1.978 -1.279 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.479 1.799 -2.037 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.871 0.601 -3.180 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.865 2.754 -4.291 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.190 2.308 -3.962 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.300 3.716 -1.694 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.508 4.673 -3.160 1.00 0.00 H ATOM 80 HE2 LYS A 5 5.852 3.377 -2.867 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.203 4.680 -1.715 1.00 0.00 H ATOM 82 HZ1 LYS A 5 5.570 5.953 -3.464 1.00 0.00 H ATOM 83 HZ2 LYS A 5 5.989 4.784 -4.624 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.192 5.751 -3.912 1.00 0.00 H ATOM 85 N ALA A 6 6.800 -1.189 -1.952 1.00 0.00 N ATOM 86 CA ALA A 6 5.902 -2.249 -2.479 1.00 0.00 C ATOM 87 C ALA A 6 4.663 -2.354 -1.604 1.00 0.00 C ATOM 88 O ALA A 6 3.627 -2.829 -2.026 1.00 0.00 O ATOM 89 CB ALA A 6 6.720 -3.534 -2.418 1.00 0.00 C ATOM 90 H ALA A 6 7.582 -1.436 -1.396 1.00 0.00 H ATOM 91 HA ALA A 6 5.629 -2.037 -3.490 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.070 -4.383 -2.546 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.215 -3.595 -1.461 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.463 -3.524 -3.205 1.00 0.00 H ATOM 95 N PHE A 7 4.752 -1.893 -0.392 1.00 0.00 N ATOM 96 CA PHE A 7 3.580 -1.945 0.495 1.00 0.00 C ATOM 97 C PHE A 7 2.778 -0.672 0.307 1.00 0.00 C ATOM 98 O PHE A 7 1.697 -0.683 -0.240 1.00 0.00 O ATOM 99 CB PHE A 7 4.144 -2.023 1.914 1.00 0.00 C ATOM 100 CG PHE A 7 4.678 -3.411 2.193 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.683 -4.388 1.187 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.169 -3.719 3.466 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.179 -5.669 1.457 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.665 -5.000 3.736 1.00 0.00 C ATOM 105 CZ PHE A 7 5.669 -5.975 2.732 1.00 0.00 C ATOM 106 H PHE A 7 5.581 -1.496 -0.073 1.00 0.00 H ATOM 107 HA PHE A 7 2.986 -2.805 0.281 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.942 -1.304 2.020 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.360 -1.795 2.618 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.305 -4.152 0.204 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.168 -2.967 4.241 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.183 -6.421 0.683 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.043 -5.237 4.719 1.00 0.00 H ATOM 114 HZ PHE A 7 6.051 -6.962 2.941 1.00 0.00 H ATOM 115 N TYR A 8 3.317 0.428 0.741 1.00 0.00 N ATOM 116 CA TYR A 8 2.595 1.720 0.581 1.00 0.00 C ATOM 117 C TYR A 8 1.919 1.764 -0.784 1.00 0.00 C ATOM 118 O TYR A 8 0.832 2.290 -0.936 1.00 0.00 O ATOM 119 CB TYR A 8 3.676 2.792 0.679 1.00 0.00 C ATOM 120 CG TYR A 8 3.342 3.773 1.778 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.931 3.312 3.032 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.466 5.147 1.544 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.642 4.225 4.054 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.174 6.061 2.564 1.00 0.00 C ATOM 125 CZ TYR A 8 2.765 5.601 3.821 1.00 0.00 C ATOM 126 OH TYR A 8 2.482 6.505 4.829 1.00 0.00 O ATOM 127 H TYR A 8 4.205 0.405 1.162 1.00 0.00 H ATOM 128 HA TYR A 8 1.871 1.845 1.365 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.621 2.320 0.897 1.00 0.00 H ATOM 130 HB3 TYR A 8 3.742 3.314 -0.262 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.833 2.252 3.212 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.782 5.503 0.575 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.325 3.867 5.024 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.269 7.121 2.382 1.00 0.00 H ATOM 135 HH TYR A 8 1.711 7.013 4.567 1.00 0.00 H ATOM 136 N ASP A 9 2.540 1.195 -1.777 1.00 0.00 N ATOM 137 CA ASP A 9 1.914 1.193 -3.117 1.00 0.00 C ATOM 138 C ASP A 9 0.666 0.304 -3.095 1.00 0.00 C ATOM 139 O ASP A 9 -0.428 0.730 -3.420 1.00 0.00 O ATOM 140 CB ASP A 9 2.982 0.615 -4.051 1.00 0.00 C ATOM 141 CG ASP A 9 2.497 0.716 -5.497 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.600 1.503 -5.743 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.030 0.005 -6.335 1.00 0.00 O ATOM 144 H ASP A 9 3.409 0.757 -1.638 1.00 0.00 H ATOM 145 HA ASP A 9 1.667 2.195 -3.417 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.899 1.177 -3.939 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.161 -0.420 -3.803 1.00 0.00 H ATOM 148 N LYS A 10 0.827 -0.937 -2.725 1.00 0.00 N ATOM 149 CA LYS A 10 -0.338 -1.862 -2.707 1.00 0.00 C ATOM 150 C LYS A 10 -1.299 -1.610 -1.535 1.00 0.00 C ATOM 151 O LYS A 10 -2.490 -1.520 -1.740 1.00 0.00 O ATOM 152 CB LYS A 10 0.257 -3.260 -2.619 1.00 0.00 C ATOM 153 CG LYS A 10 -0.195 -4.062 -3.840 1.00 0.00 C ATOM 154 CD LYS A 10 0.530 -5.409 -3.877 1.00 0.00 C ATOM 155 CE LYS A 10 0.586 -5.913 -5.322 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.786 -5.691 -5.858 1.00 0.00 N ATOM 157 H LYS A 10 1.720 -1.266 -2.481 1.00 0.00 H ATOM 158 HA LYS A 10 -0.871 -1.776 -3.631 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.334 -3.192 -2.602 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.094 -3.744 -1.722 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.261 -4.230 -3.784 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.034 -3.508 -4.739 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.534 -5.288 -3.495 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.005 -6.122 -3.271 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.311 -5.344 -5.889 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.828 -6.965 -5.348 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.485 -5.928 -5.126 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.935 -6.295 -6.691 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.894 -4.692 -6.127 1.00 0.00 H ATOM 170 N VAL A 11 -0.831 -1.517 -0.313 1.00 0.00 N ATOM 171 CA VAL A 11 -1.804 -1.300 0.805 1.00 0.00 C ATOM 172 C VAL A 11 -2.568 0.005 0.597 1.00 0.00 C ATOM 173 O VAL A 11 -3.774 0.045 0.718 1.00 0.00 O ATOM 174 CB VAL A 11 -1.019 -1.259 2.128 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.893 -2.673 2.699 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.378 -0.685 1.915 1.00 0.00 C ATOM 177 H VAL A 11 0.124 -1.606 -0.136 1.00 0.00 H ATOM 178 HA VAL A 11 -2.502 -2.116 0.830 1.00 0.00 H ATOM 179 HB VAL A 11 -1.558 -0.643 2.832 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.251 -3.390 1.976 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.480 -2.748 3.600 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.143 -2.878 2.927 1.00 0.00 H ATOM 183 HG21 VAL A 11 1.037 -1.473 1.581 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.746 -0.280 2.846 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.340 0.097 1.169 1.00 0.00 H ATOM 186 N ALA A 12 -1.893 1.074 0.278 1.00 0.00 N ATOM 187 CA ALA A 12 -2.625 2.350 0.061 1.00 0.00 C ATOM 188 C ALA A 12 -3.641 2.169 -1.059 1.00 0.00 C ATOM 189 O ALA A 12 -4.692 2.777 -1.064 1.00 0.00 O ATOM 190 CB ALA A 12 -1.565 3.373 -0.324 1.00 0.00 C ATOM 191 H ALA A 12 -0.920 1.036 0.177 1.00 0.00 H ATOM 192 HA ALA A 12 -3.119 2.654 0.960 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.971 4.367 -0.211 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.271 3.217 -1.350 1.00 0.00 H ATOM 195 HB3 ALA A 12 -0.708 3.260 0.320 1.00 0.00 H ATOM 196 N GLU A 13 -3.342 1.323 -2.003 1.00 0.00 N ATOM 197 CA GLU A 13 -4.298 1.094 -3.110 1.00 0.00 C ATOM 198 C GLU A 13 -5.428 0.176 -2.634 1.00 0.00 C ATOM 199 O GLU A 13 -6.528 0.195 -3.159 1.00 0.00 O ATOM 200 CB GLU A 13 -3.474 0.421 -4.203 1.00 0.00 C ATOM 201 CG GLU A 13 -3.265 1.394 -5.365 1.00 0.00 C ATOM 202 CD GLU A 13 -2.781 2.741 -4.824 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.589 2.872 -4.593 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.610 3.620 -4.652 1.00 0.00 O ATOM 205 H GLU A 13 -2.493 0.835 -1.981 1.00 0.00 H ATOM 206 HA GLU A 13 -4.687 2.025 -3.462 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.517 0.132 -3.799 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.997 -0.453 -4.557 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.526 0.990 -6.042 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.199 1.531 -5.891 1.00 0.00 H ATOM 211 N LYS A 14 -5.172 -0.614 -1.628 1.00 0.00 N ATOM 212 CA LYS A 14 -6.217 -1.518 -1.110 1.00 0.00 C ATOM 213 C LYS A 14 -6.915 -0.850 0.054 1.00 0.00 C ATOM 214 O LYS A 14 -7.991 -1.231 0.452 1.00 0.00 O ATOM 215 CB LYS A 14 -5.484 -2.783 -0.660 1.00 0.00 C ATOM 216 CG LYS A 14 -5.222 -3.682 -1.871 1.00 0.00 C ATOM 217 CD LYS A 14 -3.856 -4.359 -1.726 1.00 0.00 C ATOM 218 CE LYS A 14 -3.925 -5.769 -2.317 1.00 0.00 C ATOM 219 NZ LYS A 14 -3.362 -6.658 -1.261 1.00 0.00 N ATOM 220 H LYS A 14 -4.302 -0.601 -1.204 1.00 0.00 H ATOM 221 HA LYS A 14 -6.915 -1.744 -1.880 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.544 -2.510 -0.203 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.093 -3.315 0.056 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.993 -4.436 -1.933 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.231 -3.085 -2.771 1.00 0.00 H ATOM 226 HD2 LYS A 14 -3.113 -3.781 -2.254 1.00 0.00 H ATOM 227 HD3 LYS A 14 -3.593 -4.419 -0.681 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.951 -6.035 -2.526 1.00 0.00 H ATOM 229 HE3 LYS A 14 -3.327 -5.832 -3.212 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -2.917 -7.486 -1.706 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.126 -6.973 -0.629 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -2.649 -6.139 -0.711 1.00 0.00 H ATOM 233 N PHE A 15 -6.337 0.175 0.584 1.00 0.00 N ATOM 234 CA PHE A 15 -7.012 0.871 1.687 1.00 0.00 C ATOM 235 C PHE A 15 -8.103 1.731 1.073 1.00 0.00 C ATOM 236 O PHE A 15 -9.211 1.818 1.570 1.00 0.00 O ATOM 237 CB PHE A 15 -5.938 1.720 2.358 1.00 0.00 C ATOM 238 CG PHE A 15 -5.473 1.051 3.631 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.387 0.784 4.658 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.125 0.707 3.787 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.950 0.174 5.842 1.00 0.00 C ATOM 242 CE2 PHE A 15 -3.689 0.096 4.970 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.601 -0.171 5.997 1.00 0.00 C ATOM 244 H PHE A 15 -5.484 0.500 0.238 1.00 0.00 H ATOM 245 HA PHE A 15 -7.426 0.165 2.368 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.101 1.834 1.688 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.346 2.691 2.592 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.426 1.048 4.539 1.00 0.00 H ATOM 249 HD2 PHE A 15 -3.420 0.912 2.994 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.653 -0.033 6.635 1.00 0.00 H ATOM 251 HE2 PHE A 15 -2.650 -0.170 5.088 1.00 0.00 H ATOM 252 HZ PHE A 15 -4.264 -0.639 6.909 1.00 0.00 H ATOM 253 N LYS A 16 -7.800 2.325 -0.044 1.00 0.00 N ATOM 254 CA LYS A 16 -8.810 3.155 -0.737 1.00 0.00 C ATOM 255 C LYS A 16 -9.704 2.250 -1.575 1.00 0.00 C ATOM 256 O LYS A 16 -10.821 2.595 -1.910 1.00 0.00 O ATOM 257 CB LYS A 16 -8.019 4.106 -1.631 1.00 0.00 C ATOM 258 CG LYS A 16 -8.856 5.356 -1.901 1.00 0.00 C ATOM 259 CD LYS A 16 -8.087 6.303 -2.823 1.00 0.00 C ATOM 260 CE LYS A 16 -8.755 7.679 -2.805 1.00 0.00 C ATOM 261 NZ LYS A 16 -9.791 7.616 -3.874 1.00 0.00 N ATOM 262 H LYS A 16 -6.915 2.196 -0.440 1.00 0.00 H ATOM 263 HA LYS A 16 -9.386 3.710 -0.026 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.100 4.383 -1.138 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.797 3.618 -2.566 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.785 5.070 -2.372 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.064 5.857 -0.968 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.067 6.390 -2.482 1.00 0.00 H ATOM 269 HD3 LYS A 16 -8.100 5.914 -3.831 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.215 7.859 -1.842 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.037 8.453 -3.027 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -9.410 8.025 -4.750 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -10.631 8.152 -3.576 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -10.053 6.624 -4.046 1.00 0.00 H ATOM 275 N GLU A 17 -9.221 1.084 -1.913 1.00 0.00 N ATOM 276 CA GLU A 17 -10.044 0.158 -2.722 1.00 0.00 C ATOM 277 C GLU A 17 -10.805 -0.794 -1.808 1.00 0.00 C ATOM 278 O GLU A 17 -12.018 -0.858 -1.831 1.00 0.00 O ATOM 279 CB GLU A 17 -9.058 -0.615 -3.592 1.00 0.00 C ATOM 280 CG GLU A 17 -9.803 -1.732 -4.325 1.00 0.00 C ATOM 281 CD GLU A 17 -8.827 -2.507 -5.211 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.182 -1.880 -6.036 1.00 0.00 O ATOM 283 OE2 GLU A 17 -8.741 -3.712 -5.048 1.00 0.00 O ATOM 284 H GLU A 17 -8.320 0.820 -1.630 1.00 0.00 H ATOM 285 HA GLU A 17 -10.723 0.711 -3.336 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.610 0.056 -4.311 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.288 -1.046 -2.970 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.244 -2.403 -3.601 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.580 -1.303 -4.940 1.00 0.00 H ATOM 290 N ALA A 18 -10.103 -1.526 -0.992 1.00 0.00 N ATOM 291 CA ALA A 18 -10.791 -2.461 -0.071 1.00 0.00 C ATOM 292 C ALA A 18 -11.823 -1.683 0.746 1.00 0.00 C ATOM 293 O ALA A 18 -12.850 -2.206 1.125 1.00 0.00 O ATOM 294 CB ALA A 18 -9.690 -3.024 0.828 1.00 0.00 C ATOM 295 H ALA A 18 -9.127 -1.453 -0.980 1.00 0.00 H ATOM 296 HA ALA A 18 -11.265 -3.256 -0.625 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.427 -2.289 1.577 1.00 0.00 H ATOM 298 HB2 ALA A 18 -8.818 -3.251 0.229 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.039 -3.923 1.309 1.00 0.00 H ATOM 300 N PHE A 19 -11.561 -0.423 1.004 1.00 0.00 N ATOM 301 CA PHE A 19 -12.528 0.394 1.777 1.00 0.00 C ATOM 302 C PHE A 19 -12.917 1.637 0.975 1.00 0.00 C ATOM 303 O PHE A 19 -12.675 2.751 1.394 1.00 0.00 O ATOM 304 CB PHE A 19 -11.795 0.786 3.056 1.00 0.00 C ATOM 305 CG PHE A 19 -12.390 0.046 4.232 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.784 -1.289 4.093 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.546 0.696 5.464 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.335 -1.977 5.182 1.00 0.00 C ATOM 309 CE2 PHE A 19 -13.096 0.007 6.554 1.00 0.00 C ATOM 310 CZ PHE A 19 -13.491 -1.329 6.412 1.00 0.00 C ATOM 311 H PHE A 19 -10.733 -0.013 0.677 1.00 0.00 H ATOM 312 HA PHE A 19 -13.391 -0.188 2.015 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.751 0.532 2.961 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.897 1.850 3.212 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.665 -1.789 3.146 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.241 1.726 5.573 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.640 -3.008 5.073 1.00 0.00 H ATOM 318 HE2 PHE A 19 -13.216 0.507 7.504 1.00 0.00 H ATOM 319 HZ PHE A 19 -13.915 -1.859 7.251 1.00 0.00 H HETATM 320 N NH2 A 20 -13.504 1.491 -0.182 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.744 2.280 -0.712 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.701 0.592 -0.522 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 49 HETATM 1 C ACE A 1 12.399 -1.431 -0.763 1.00 0.00 C HETATM 2 O ACE A 1 11.561 -0.610 -0.446 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.375 -2.005 0.255 1.00 0.00 C HETATM 4 H1 ACE A 1 14.092 -1.250 0.533 1.00 0.00 H HETATM 5 H2 ACE A 1 13.888 -2.850 -0.180 1.00 0.00 H HETATM 6 H3 ACE A 1 12.828 -2.329 1.130 1.00 0.00 H ATOM 7 N ASP A 2 12.466 -1.891 -1.977 1.00 0.00 N ATOM 8 CA ASP A 2 11.512 -1.412 -2.990 1.00 0.00 C ATOM 9 C ASP A 2 10.200 -2.067 -2.645 1.00 0.00 C ATOM 10 O ASP A 2 9.142 -1.505 -2.807 1.00 0.00 O ATOM 11 CB ASP A 2 12.050 -1.904 -4.330 1.00 0.00 C ATOM 12 CG ASP A 2 11.372 -1.139 -5.466 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.251 -0.698 -5.272 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.986 -1.005 -6.511 1.00 0.00 O ATOM 15 H ASP A 2 13.106 -2.581 -2.205 1.00 0.00 H ATOM 16 HA ASP A 2 11.439 -0.342 -2.971 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.115 -1.736 -4.367 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.845 -2.958 -4.433 1.00 0.00 H ATOM 19 N TRP A 3 10.302 -3.257 -2.113 1.00 0.00 N ATOM 20 CA TRP A 3 9.109 -4.003 -1.671 1.00 0.00 C ATOM 21 C TRP A 3 8.538 -3.297 -0.430 1.00 0.00 C ATOM 22 O TRP A 3 7.397 -3.484 -0.059 1.00 0.00 O ATOM 23 CB TRP A 3 9.639 -5.398 -1.314 1.00 0.00 C ATOM 24 CG TRP A 3 10.714 -5.215 -0.310 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.518 -4.691 0.910 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.133 -5.521 -0.407 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.716 -4.585 1.548 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.752 -5.111 0.796 1.00 0.00 C ATOM 29 CE3 TRP A 3 12.941 -6.096 -1.409 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.124 -5.265 1.002 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.324 -6.257 -1.202 1.00 0.00 C ATOM 32 CH2 TRP A 3 14.913 -5.842 0.002 1.00 0.00 C ATOM 33 H TRP A 3 11.187 -3.649 -1.975 1.00 0.00 H ATOM 34 HA TRP A 3 8.394 -4.064 -2.455 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.845 -6.000 -0.896 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.040 -5.876 -2.194 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.572 -4.358 1.306 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.830 -4.200 2.428 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.496 -6.420 -2.340 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.571 -4.942 1.930 1.00 0.00 H ATOM 41 HZ3 TRP A 3 14.936 -6.705 -1.974 1.00 0.00 H ATOM 42 HH2 TRP A 3 15.975 -5.968 0.157 1.00 0.00 H ATOM 43 N PHE A 4 9.354 -2.482 0.213 1.00 0.00 N ATOM 44 CA PHE A 4 8.917 -1.748 1.430 1.00 0.00 C ATOM 45 C PHE A 4 8.028 -0.610 0.988 1.00 0.00 C ATOM 46 O PHE A 4 6.839 -0.586 1.236 1.00 0.00 O ATOM 47 CB PHE A 4 10.205 -1.202 2.044 1.00 0.00 C ATOM 48 CG PHE A 4 10.421 -1.790 3.420 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.333 -1.992 4.278 1.00 0.00 C ATOM 50 CD2 PHE A 4 11.716 -2.127 3.840 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.539 -2.527 5.555 1.00 0.00 C ATOM 52 CE2 PHE A 4 11.919 -2.665 5.117 1.00 0.00 C ATOM 53 CZ PHE A 4 10.832 -2.866 5.973 1.00 0.00 C ATOM 54 H PHE A 4 10.263 -2.351 -0.114 1.00 0.00 H ATOM 55 HA PHE A 4 8.416 -2.398 2.115 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.038 -1.461 1.408 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.132 -0.129 2.121 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.336 -1.733 3.956 1.00 0.00 H ATOM 59 HD2 PHE A 4 12.556 -1.972 3.180 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.701 -2.682 6.217 1.00 0.00 H ATOM 61 HE2 PHE A 4 12.917 -2.927 5.442 1.00 0.00 H ATOM 62 HZ PHE A 4 10.991 -3.282 6.958 1.00 0.00 H ATOM 63 N LYS A 5 8.598 0.305 0.268 1.00 0.00 N ATOM 64 CA LYS A 5 7.789 1.413 -0.269 1.00 0.00 C ATOM 65 C LYS A 5 6.697 0.782 -1.121 1.00 0.00 C ATOM 66 O LYS A 5 5.663 1.370 -1.387 1.00 0.00 O ATOM 67 CB LYS A 5 8.748 2.220 -1.138 1.00 0.00 C ATOM 68 CG LYS A 5 9.227 3.462 -0.381 1.00 0.00 C ATOM 69 CD LYS A 5 8.022 4.277 0.104 1.00 0.00 C ATOM 70 CE LYS A 5 6.953 4.324 -0.994 1.00 0.00 C ATOM 71 NZ LYS A 5 6.051 5.450 -0.621 1.00 0.00 N ATOM 72 H LYS A 5 9.550 0.227 0.039 1.00 0.00 H ATOM 73 HA LYS A 5 7.374 2.016 0.515 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.598 1.606 -1.391 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.241 2.525 -2.038 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.822 3.159 0.469 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.829 4.072 -1.037 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.609 3.814 0.988 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.339 5.283 0.338 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.412 4.510 -1.955 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.399 3.399 -1.016 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.209 6.251 -1.264 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.246 5.746 0.357 1.00 0.00 H ATOM 84 HZ3 LYS A 5 5.062 5.139 -0.696 1.00 0.00 H ATOM 85 N ALA A 6 6.931 -0.438 -1.537 1.00 0.00 N ATOM 86 CA ALA A 6 5.928 -1.144 -2.365 1.00 0.00 C ATOM 87 C ALA A 6 4.898 -1.814 -1.461 1.00 0.00 C ATOM 88 O ALA A 6 3.872 -2.285 -1.910 1.00 0.00 O ATOM 89 CB ALA A 6 6.735 -2.175 -3.132 1.00 0.00 C ATOM 90 H ALA A 6 7.772 -0.899 -1.291 1.00 0.00 H ATOM 91 HA ALA A 6 5.462 -0.467 -3.045 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.083 -2.946 -3.502 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.462 -2.603 -2.469 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.239 -1.695 -3.957 1.00 0.00 H ATOM 95 N PHE A 7 5.161 -1.845 -0.182 1.00 0.00 N ATOM 96 CA PHE A 7 4.200 -2.461 0.759 1.00 0.00 C ATOM 97 C PHE A 7 3.187 -1.409 1.175 1.00 0.00 C ATOM 98 O PHE A 7 2.011 -1.512 0.889 1.00 0.00 O ATOM 99 CB PHE A 7 5.035 -2.909 1.955 1.00 0.00 C ATOM 100 CG PHE A 7 5.156 -4.414 1.960 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.006 -5.205 1.902 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.418 -5.015 2.036 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.115 -6.600 1.916 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.528 -6.410 2.052 1.00 0.00 C ATOM 105 CZ PHE A 7 5.376 -7.202 1.991 1.00 0.00 C ATOM 106 H PHE A 7 5.982 -1.450 0.161 1.00 0.00 H ATOM 107 HA PHE A 7 3.718 -3.297 0.305 1.00 0.00 H ATOM 108 HB2 PHE A 7 6.018 -2.470 1.887 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.555 -2.586 2.865 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.033 -4.741 1.843 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.306 -4.404 2.081 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.226 -7.210 1.869 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.502 -6.873 2.110 1.00 0.00 H ATOM 114 HZ PHE A 7 5.459 -8.278 2.003 1.00 0.00 H ATOM 115 N TYR A 8 3.639 -0.373 1.822 1.00 0.00 N ATOM 116 CA TYR A 8 2.698 0.698 2.220 1.00 0.00 C ATOM 117 C TYR A 8 1.971 1.181 0.970 1.00 0.00 C ATOM 118 O TYR A 8 0.832 1.602 1.021 1.00 0.00 O ATOM 119 CB TYR A 8 3.561 1.801 2.816 1.00 0.00 C ATOM 120 CG TYR A 8 2.682 2.754 3.587 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.776 3.572 2.903 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.768 2.818 4.985 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.958 4.457 3.614 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.950 3.704 5.695 1.00 0.00 C ATOM 125 CZ TYR A 8 1.044 4.523 5.009 1.00 0.00 C ATOM 126 OH TYR A 8 0.236 5.397 5.710 1.00 0.00 O ATOM 127 H TYR A 8 4.596 -0.295 2.020 1.00 0.00 H ATOM 128 HA TYR A 8 1.999 0.333 2.951 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.289 1.363 3.480 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.065 2.333 2.026 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.710 3.521 1.827 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.467 2.187 5.511 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.258 5.088 3.085 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.015 3.756 6.772 1.00 0.00 H ATOM 135 HH TYR A 8 -0.569 4.932 5.945 1.00 0.00 H ATOM 136 N ASP A 9 2.621 1.101 -0.163 1.00 0.00 N ATOM 137 CA ASP A 9 1.958 1.526 -1.421 1.00 0.00 C ATOM 138 C ASP A 9 0.847 0.528 -1.764 1.00 0.00 C ATOM 139 O ASP A 9 -0.260 0.904 -2.106 1.00 0.00 O ATOM 140 CB ASP A 9 3.049 1.489 -2.491 1.00 0.00 C ATOM 141 CG ASP A 9 2.405 1.612 -3.875 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.232 1.944 -3.933 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.094 1.370 -4.852 1.00 0.00 O ATOM 144 H ASP A 9 3.539 0.748 -0.186 1.00 0.00 H ATOM 145 HA ASP A 9 1.564 2.523 -1.323 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.733 2.309 -2.334 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.583 0.553 -2.428 1.00 0.00 H ATOM 148 N LYS A 10 1.137 -0.747 -1.665 1.00 0.00 N ATOM 149 CA LYS A 10 0.105 -1.781 -1.970 1.00 0.00 C ATOM 150 C LYS A 10 -1.108 -1.572 -1.066 1.00 0.00 C ATOM 151 O LYS A 10 -2.200 -1.321 -1.530 1.00 0.00 O ATOM 152 CB LYS A 10 0.772 -3.122 -1.672 1.00 0.00 C ATOM 153 CG LYS A 10 1.534 -3.607 -2.908 1.00 0.00 C ATOM 154 CD LYS A 10 2.473 -4.751 -2.514 1.00 0.00 C ATOM 155 CE LYS A 10 2.455 -5.830 -3.600 1.00 0.00 C ATOM 156 NZ LYS A 10 1.435 -6.820 -3.151 1.00 0.00 N ATOM 157 H LYS A 10 2.032 -1.023 -1.381 1.00 0.00 H ATOM 158 HA LYS A 10 -0.180 -1.734 -3.005 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.460 -3.007 -0.847 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.015 -3.847 -1.414 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.832 -3.956 -3.651 1.00 0.00 H ATOM 162 HG3 LYS A 10 2.115 -2.794 -3.317 1.00 0.00 H ATOM 163 HD2 LYS A 10 3.477 -4.370 -2.403 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.146 -5.181 -1.579 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.170 -5.398 -4.551 1.00 0.00 H ATOM 166 HE3 LYS A 10 3.421 -6.304 -3.675 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.753 -7.779 -3.393 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.529 -6.622 -3.626 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.309 -6.749 -2.121 1.00 0.00 H ATOM 170 N VAL A 11 -0.922 -1.667 0.223 1.00 0.00 N ATOM 171 CA VAL A 11 -2.078 -1.454 1.152 1.00 0.00 C ATOM 172 C VAL A 11 -2.888 -0.244 0.676 1.00 0.00 C ATOM 173 O VAL A 11 -4.099 -0.294 0.586 1.00 0.00 O ATOM 174 CB VAL A 11 -1.516 -1.202 2.563 1.00 0.00 C ATOM 175 CG1 VAL A 11 -1.753 -2.437 3.433 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.011 -0.891 2.533 1.00 0.00 C ATOM 177 H VAL A 11 -0.031 -1.873 0.571 1.00 0.00 H ATOM 178 HA VAL A 11 -2.705 -2.325 1.165 1.00 0.00 H ATOM 179 HB VAL A 11 -2.046 -0.370 2.992 1.00 0.00 H ATOM 180 HG11 VAL A 11 -2.171 -3.230 2.830 1.00 0.00 H ATOM 181 HG12 VAL A 11 -2.441 -2.188 4.227 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.815 -2.764 3.860 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.207 -0.257 1.689 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.545 -1.813 2.443 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.271 -0.387 3.445 1.00 0.00 H ATOM 186 N ALA A 12 -2.231 0.836 0.345 1.00 0.00 N ATOM 187 CA ALA A 12 -2.977 2.024 -0.152 1.00 0.00 C ATOM 188 C ALA A 12 -3.885 1.597 -1.301 1.00 0.00 C ATOM 189 O ALA A 12 -4.976 2.100 -1.458 1.00 0.00 O ATOM 190 CB ALA A 12 -1.910 2.997 -0.632 1.00 0.00 C ATOM 191 H ALA A 12 -1.253 0.857 0.406 1.00 0.00 H ATOM 192 HA ALA A 12 -3.556 2.469 0.634 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.204 3.175 0.164 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.379 3.929 -0.915 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.399 2.576 -1.481 1.00 0.00 H ATOM 196 N GLU A 13 -3.449 0.651 -2.090 1.00 0.00 N ATOM 197 CA GLU A 13 -4.298 0.164 -3.206 1.00 0.00 C ATOM 198 C GLU A 13 -5.466 -0.627 -2.615 1.00 0.00 C ATOM 199 O GLU A 13 -6.551 -0.690 -3.171 1.00 0.00 O ATOM 200 CB GLU A 13 -3.391 -0.752 -4.033 1.00 0.00 C ATOM 201 CG GLU A 13 -2.156 0.021 -4.505 1.00 0.00 C ATOM 202 CD GLU A 13 -2.535 0.925 -5.680 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.712 0.998 -5.988 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.642 1.529 -6.252 1.00 0.00 O ATOM 205 H GLU A 13 -2.575 0.246 -1.930 1.00 0.00 H ATOM 206 HA GLU A 13 -4.649 0.985 -3.805 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.079 -1.590 -3.426 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.935 -1.115 -4.893 1.00 0.00 H ATOM 209 HG2 GLU A 13 -1.776 0.624 -3.695 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.395 -0.677 -4.824 1.00 0.00 H ATOM 211 N LYS A 14 -5.259 -1.205 -1.462 1.00 0.00 N ATOM 212 CA LYS A 14 -6.334 -1.961 -0.808 1.00 0.00 C ATOM 213 C LYS A 14 -7.166 -0.994 -0.001 1.00 0.00 C ATOM 214 O LYS A 14 -8.269 -1.292 0.375 1.00 0.00 O ATOM 215 CB LYS A 14 -5.639 -2.970 0.099 1.00 0.00 C ATOM 216 CG LYS A 14 -5.806 -4.377 -0.477 1.00 0.00 C ATOM 217 CD LYS A 14 -7.069 -5.019 0.101 1.00 0.00 C ATOM 218 CE LYS A 14 -6.971 -5.062 1.629 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.403 -6.436 2.006 1.00 0.00 N ATOM 220 H LYS A 14 -4.408 -1.115 -1.014 1.00 0.00 H ATOM 221 HA LYS A 14 -6.931 -2.464 -1.536 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.590 -2.728 0.165 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.084 -2.931 1.079 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.891 -4.315 -1.553 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.947 -4.978 -0.218 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.933 -4.439 -0.189 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.168 -6.024 -0.279 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.950 -4.885 1.945 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.634 -4.332 2.068 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.082 -6.649 2.971 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.989 -7.124 1.343 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -8.441 -6.498 1.969 1.00 0.00 H ATOM 233 N PHE A 15 -6.645 0.178 0.248 1.00 0.00 N ATOM 234 CA PHE A 15 -7.421 1.179 1.005 1.00 0.00 C ATOM 235 C PHE A 15 -8.349 1.867 0.018 1.00 0.00 C ATOM 236 O PHE A 15 -9.455 2.257 0.334 1.00 0.00 O ATOM 237 CB PHE A 15 -6.396 2.155 1.586 1.00 0.00 C ATOM 238 CG PHE A 15 -5.716 1.541 2.796 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.585 0.147 2.913 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.213 2.371 3.807 1.00 0.00 C ATOM 241 CE1 PHE A 15 -4.952 -0.409 4.032 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.578 1.813 4.925 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.450 0.424 5.038 1.00 0.00 C ATOM 244 H PHE A 15 -5.755 0.402 -0.082 1.00 0.00 H ATOM 245 HA PHE A 15 -7.977 0.707 1.781 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.655 2.384 0.836 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.899 3.063 1.883 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.970 -0.500 2.143 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.312 3.443 3.722 1.00 0.00 H ATOM 250 HE1 PHE A 15 -4.853 -1.481 4.118 1.00 0.00 H ATOM 251 HE2 PHE A 15 -4.191 2.455 5.700 1.00 0.00 H ATOM 252 HZ PHE A 15 -3.961 -0.006 5.900 1.00 0.00 H ATOM 253 N LYS A 16 -7.904 1.966 -1.204 1.00 0.00 N ATOM 254 CA LYS A 16 -8.741 2.569 -2.265 1.00 0.00 C ATOM 255 C LYS A 16 -9.863 1.590 -2.591 1.00 0.00 C ATOM 256 O LYS A 16 -10.979 1.968 -2.890 1.00 0.00 O ATOM 257 CB LYS A 16 -7.817 2.724 -3.473 1.00 0.00 C ATOM 258 CG LYS A 16 -6.759 3.794 -3.197 1.00 0.00 C ATOM 259 CD LYS A 16 -6.729 4.787 -4.360 1.00 0.00 C ATOM 260 CE LYS A 16 -5.276 5.131 -4.703 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.258 5.345 -6.182 1.00 0.00 N ATOM 262 H LYS A 16 -7.023 1.606 -1.427 1.00 0.00 H ATOM 263 HA LYS A 16 -9.127 3.521 -1.956 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.330 1.782 -3.670 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.400 3.014 -4.334 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.000 4.315 -2.281 1.00 0.00 H ATOM 267 HG3 LYS A 16 -5.791 3.326 -3.102 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.208 4.344 -5.222 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.254 5.687 -4.080 1.00 0.00 H ATOM 270 HE2 LYS A 16 -4.973 6.032 -4.188 1.00 0.00 H ATOM 271 HE3 LYS A 16 -4.624 4.312 -4.443 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -4.846 6.277 -6.394 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.229 5.302 -6.555 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -4.680 4.607 -6.633 1.00 0.00 H ATOM 275 N GLU A 17 -9.564 0.318 -2.518 1.00 0.00 N ATOM 276 CA GLU A 17 -10.592 -0.714 -2.803 1.00 0.00 C ATOM 277 C GLU A 17 -11.318 -1.053 -1.502 1.00 0.00 C ATOM 278 O GLU A 17 -12.484 -1.400 -1.488 1.00 0.00 O ATOM 279 CB GLU A 17 -9.809 -1.917 -3.339 1.00 0.00 C ATOM 280 CG GLU A 17 -10.625 -3.199 -3.154 1.00 0.00 C ATOM 281 CD GLU A 17 -10.645 -3.988 -4.466 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.579 -4.213 -5.016 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.725 -4.356 -4.897 1.00 0.00 O ATOM 284 H GLU A 17 -8.658 0.043 -2.261 1.00 0.00 H ATOM 285 HA GLU A 17 -11.280 -0.356 -3.545 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.605 -1.772 -4.391 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.875 -2.007 -2.804 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.175 -3.801 -2.377 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.635 -2.945 -2.874 1.00 0.00 H ATOM 290 N ALA A 18 -10.626 -0.924 -0.406 1.00 0.00 N ATOM 291 CA ALA A 18 -11.243 -1.202 0.918 1.00 0.00 C ATOM 292 C ALA A 18 -12.468 -0.304 1.086 1.00 0.00 C ATOM 293 O ALA A 18 -13.457 -0.680 1.681 1.00 0.00 O ATOM 294 CB ALA A 18 -10.152 -0.844 1.930 1.00 0.00 C ATOM 295 H ALA A 18 -9.702 -0.623 -0.454 1.00 0.00 H ATOM 296 HA ALA A 18 -11.511 -2.241 1.006 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.462 -1.673 2.026 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.596 -0.633 2.887 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.617 0.026 1.582 1.00 0.00 H ATOM 300 N PHE A 19 -12.405 0.884 0.549 1.00 0.00 N ATOM 301 CA PHE A 19 -13.557 1.815 0.652 1.00 0.00 C ATOM 302 C PHE A 19 -14.636 1.436 -0.364 1.00 0.00 C ATOM 303 O PHE A 19 -14.517 1.727 -1.537 1.00 0.00 O ATOM 304 CB PHE A 19 -12.985 3.192 0.333 1.00 0.00 C ATOM 305 CG PHE A 19 -12.572 3.873 1.615 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.437 3.874 2.714 1.00 0.00 C ATOM 307 CD2 PHE A 19 -11.324 4.505 1.704 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.057 4.506 3.903 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.945 5.138 2.894 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.812 5.138 3.994 1.00 0.00 C ATOM 311 H PHE A 19 -11.600 1.162 0.070 1.00 0.00 H ATOM 312 HA PHE A 19 -13.954 1.808 1.646 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.128 3.084 -0.312 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.739 3.787 -0.161 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.396 3.386 2.644 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.655 4.505 0.854 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.724 4.506 4.752 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.986 5.625 2.964 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.519 5.625 4.911 1.00 0.00 H HETATM 320 N NH2 A 20 -15.694 0.790 0.041 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -16.390 0.540 -0.602 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -15.791 0.552 0.986 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 50 HETATM 1 C ACE A 1 11.805 -0.919 -0.272 1.00 0.00 C HETATM 2 O ACE A 1 10.836 -0.287 0.099 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.077 -0.977 0.558 1.00 0.00 C HETATM 4 H1 ACE A 1 13.339 -2.012 0.726 1.00 0.00 H HETATM 5 H2 ACE A 1 12.906 -0.491 1.507 1.00 0.00 H HETATM 6 H3 ACE A 1 13.872 -0.480 0.031 1.00 0.00 H ATOM 7 N ASP A 2 11.786 -1.612 -1.374 1.00 0.00 N ATOM 8 CA ASP A 2 10.557 -1.639 -2.204 1.00 0.00 C ATOM 9 C ASP A 2 9.468 -2.347 -1.402 1.00 0.00 C ATOM 10 O ASP A 2 8.322 -2.391 -1.770 1.00 0.00 O ATOM 11 CB ASP A 2 10.919 -2.446 -3.448 1.00 0.00 C ATOM 12 CG ASP A 2 12.054 -1.751 -4.201 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.185 -0.547 -4.055 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.773 -2.434 -4.913 1.00 0.00 O ATOM 15 H ASP A 2 12.562 -2.138 -1.633 1.00 0.00 H ATOM 16 HA ASP A 2 10.256 -0.643 -2.473 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.236 -3.436 -3.153 1.00 0.00 H ATOM 18 HB3 ASP A 2 10.056 -2.521 -4.092 1.00 0.00 H ATOM 19 N TRP A 3 9.829 -2.915 -0.300 1.00 0.00 N ATOM 20 CA TRP A 3 8.829 -3.620 0.526 1.00 0.00 C ATOM 21 C TRP A 3 8.200 -2.573 1.417 1.00 0.00 C ATOM 22 O TRP A 3 7.040 -2.625 1.760 1.00 0.00 O ATOM 23 CB TRP A 3 9.624 -4.697 1.274 1.00 0.00 C ATOM 24 CG TRP A 3 10.666 -5.171 0.319 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.466 -5.285 -1.011 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.046 -5.520 0.560 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.641 -5.641 -1.610 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.652 -5.830 -0.680 1.00 0.00 C ATOM 29 CE3 TRP A 3 12.820 -5.597 1.719 1.00 0.00 C ATOM 30 CZ2 TRP A 3 13.993 -6.199 -0.760 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.169 -5.973 1.648 1.00 0.00 C ATOM 32 CH2 TRP A 3 14.756 -6.275 0.409 1.00 0.00 C ATOM 33 H TRP A 3 10.758 -2.890 -0.013 1.00 0.00 H ATOM 34 HA TRP A 3 8.102 -4.069 -0.104 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.087 -4.274 2.154 1.00 0.00 H ATOM 36 HB3 TRP A 3 8.977 -5.517 1.549 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.539 -5.082 -1.523 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.757 -5.761 -2.569 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.368 -5.364 2.672 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.439 -6.426 -1.716 1.00 0.00 H ATOM 41 HZ3 TRP A 3 14.757 -6.030 2.550 1.00 0.00 H ATOM 42 HH2 TRP A 3 15.796 -6.563 0.361 1.00 0.00 H ATOM 43 N PHE A 4 8.951 -1.562 1.715 1.00 0.00 N ATOM 44 CA PHE A 4 8.396 -0.453 2.502 1.00 0.00 C ATOM 45 C PHE A 4 7.556 0.406 1.558 1.00 0.00 C ATOM 46 O PHE A 4 6.439 0.778 1.852 1.00 0.00 O ATOM 47 CB PHE A 4 9.606 0.328 3.008 1.00 0.00 C ATOM 48 CG PHE A 4 10.132 -0.315 4.269 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.483 -0.097 5.490 1.00 0.00 C ATOM 50 CD2 PHE A 4 11.270 -1.125 4.215 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.973 -0.695 6.658 1.00 0.00 C ATOM 52 CE2 PHE A 4 11.760 -1.723 5.383 1.00 0.00 C ATOM 53 CZ PHE A 4 11.112 -1.506 6.605 1.00 0.00 C ATOM 54 H PHE A 4 9.864 -1.507 1.369 1.00 0.00 H ATOM 55 HA PHE A 4 7.817 -0.822 3.319 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.375 0.321 2.252 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.311 1.345 3.216 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.603 0.531 5.532 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.771 -1.292 3.273 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.473 -0.527 7.601 1.00 0.00 H ATOM 61 HE2 PHE A 4 12.639 -2.348 5.342 1.00 0.00 H ATOM 62 HZ PHE A 4 11.489 -1.968 7.506 1.00 0.00 H ATOM 63 N LYS A 5 8.106 0.718 0.413 1.00 0.00 N ATOM 64 CA LYS A 5 7.387 1.564 -0.571 1.00 0.00 C ATOM 65 C LYS A 5 6.582 0.740 -1.593 1.00 0.00 C ATOM 66 O LYS A 5 5.445 1.065 -1.873 1.00 0.00 O ATOM 67 CB LYS A 5 8.487 2.359 -1.269 1.00 0.00 C ATOM 68 CG LYS A 5 7.869 3.548 -2.006 1.00 0.00 C ATOM 69 CD LYS A 5 8.859 4.713 -2.018 1.00 0.00 C ATOM 70 CE LYS A 5 8.973 5.306 -0.612 1.00 0.00 C ATOM 71 NZ LYS A 5 8.688 6.758 -0.785 1.00 0.00 N ATOM 72 H LYS A 5 9.005 0.406 0.209 1.00 0.00 H ATOM 73 HA LYS A 5 6.739 2.241 -0.054 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.191 2.717 -0.530 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.998 1.723 -1.976 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.638 3.260 -3.020 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.963 3.853 -1.501 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.828 4.358 -2.339 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.511 5.475 -2.700 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.245 4.853 0.046 1.00 0.00 H ATOM 81 HE3 LYS A 5 9.970 5.169 -0.224 1.00 0.00 H ATOM 82 HZ1 LYS A 5 7.675 6.891 -0.976 1.00 0.00 H ATOM 83 HZ2 LYS A 5 9.244 7.125 -1.584 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.946 7.268 0.082 1.00 0.00 H ATOM 85 N ALA A 6 7.130 -0.305 -2.178 1.00 0.00 N ATOM 86 CA ALA A 6 6.315 -1.056 -3.176 1.00 0.00 C ATOM 87 C ALA A 6 5.237 -1.872 -2.478 1.00 0.00 C ATOM 88 O ALA A 6 4.170 -2.075 -3.020 1.00 0.00 O ATOM 89 CB ALA A 6 7.281 -1.950 -3.945 1.00 0.00 C ATOM 90 H ALA A 6 8.053 -0.583 -1.978 1.00 0.00 H ATOM 91 HA ALA A 6 5.852 -0.369 -3.855 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.069 -1.881 -5.001 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.161 -2.970 -3.617 1.00 0.00 H ATOM 94 HB3 ALA A 6 8.294 -1.626 -3.758 1.00 0.00 H ATOM 95 N PHE A 7 5.470 -2.333 -1.279 1.00 0.00 N ATOM 96 CA PHE A 7 4.399 -3.102 -0.610 1.00 0.00 C ATOM 97 C PHE A 7 3.449 -2.131 0.106 1.00 0.00 C ATOM 98 O PHE A 7 2.253 -2.354 0.149 1.00 0.00 O ATOM 99 CB PHE A 7 5.103 -4.055 0.349 1.00 0.00 C ATOM 100 CG PHE A 7 5.128 -5.443 -0.253 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.057 -6.321 -0.047 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.229 -5.849 -1.022 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.085 -7.603 -0.610 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.256 -7.130 -1.584 1.00 0.00 C ATOM 105 CZ PHE A 7 5.185 -8.008 -1.377 1.00 0.00 C ATOM 106 H PHE A 7 6.325 -2.161 -0.822 1.00 0.00 H ATOM 107 HA PHE A 7 3.859 -3.667 -1.343 1.00 0.00 H ATOM 108 HB2 PHE A 7 6.110 -3.722 0.497 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.578 -4.078 1.290 1.00 0.00 H ATOM 110 HD1 PHE A 7 3.208 -6.009 0.545 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.054 -5.173 -1.181 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.259 -8.281 -0.452 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.104 -7.443 -2.175 1.00 0.00 H ATOM 114 HZ PHE A 7 5.206 -8.997 -1.812 1.00 0.00 H ATOM 115 N TYR A 8 3.948 -1.030 0.632 1.00 0.00 N ATOM 116 CA TYR A 8 3.025 -0.058 1.284 1.00 0.00 C ATOM 117 C TYR A 8 2.110 0.533 0.212 1.00 0.00 C ATOM 118 O TYR A 8 0.995 0.935 0.475 1.00 0.00 O ATOM 119 CB TYR A 8 3.913 1.031 1.887 1.00 0.00 C ATOM 120 CG TYR A 8 3.053 2.172 2.388 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.724 1.937 2.765 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.586 3.464 2.478 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.930 2.993 3.231 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.790 4.520 2.945 1.00 0.00 C ATOM 125 CZ TYR A 8 1.462 4.284 3.321 1.00 0.00 C ATOM 126 OH TYR A 8 0.679 5.324 3.779 1.00 0.00 O ATOM 127 H TYR A 8 4.908 -0.832 0.572 1.00 0.00 H ATOM 128 HA TYR A 8 2.451 -0.543 2.054 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.476 0.619 2.712 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.592 1.400 1.134 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.312 0.942 2.695 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.610 3.647 2.187 1.00 0.00 H ATOM 133 HE1 TYR A 8 -0.095 2.809 3.521 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.202 5.516 3.013 1.00 0.00 H ATOM 135 HH TYR A 8 0.656 5.280 4.737 1.00 0.00 H ATOM 136 N ASP A 9 2.584 0.566 -1.006 1.00 0.00 N ATOM 137 CA ASP A 9 1.758 1.100 -2.118 1.00 0.00 C ATOM 138 C ASP A 9 0.650 0.101 -2.434 1.00 0.00 C ATOM 139 O ASP A 9 -0.520 0.427 -2.435 1.00 0.00 O ATOM 140 CB ASP A 9 2.717 1.228 -3.302 1.00 0.00 C ATOM 141 CG ASP A 9 3.618 2.450 -3.110 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.245 3.321 -2.341 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.663 2.494 -3.736 1.00 0.00 O ATOM 144 H ASP A 9 3.480 0.228 -1.190 1.00 0.00 H ATOM 145 HA ASP A 9 1.351 2.059 -1.863 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.326 0.339 -3.367 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.148 1.343 -4.213 1.00 0.00 H ATOM 148 N LYS A 10 1.016 -1.126 -2.689 1.00 0.00 N ATOM 149 CA LYS A 10 -0.010 -2.165 -2.994 1.00 0.00 C ATOM 150 C LYS A 10 -1.106 -2.159 -1.921 1.00 0.00 C ATOM 151 O LYS A 10 -2.276 -1.959 -2.203 1.00 0.00 O ATOM 152 CB LYS A 10 0.753 -3.483 -2.966 1.00 0.00 C ATOM 153 CG LYS A 10 0.416 -4.298 -4.212 1.00 0.00 C ATOM 154 CD LYS A 10 -0.635 -5.351 -3.860 1.00 0.00 C ATOM 155 CE LYS A 10 -1.067 -6.089 -5.129 1.00 0.00 C ATOM 156 NZ LYS A 10 0.032 -7.055 -5.407 1.00 0.00 N ATOM 157 H LYS A 10 1.973 -1.366 -2.673 1.00 0.00 H ATOM 158 HA LYS A 10 -0.433 -2.008 -3.971 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.812 -3.281 -2.941 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.469 -4.040 -2.088 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.028 -3.642 -4.978 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.308 -4.788 -4.573 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.215 -6.055 -3.156 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.493 -4.867 -3.417 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.999 -6.612 -4.958 1.00 0.00 H ATOM 166 HE3 LYS A 10 -1.168 -5.398 -5.952 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.363 -7.917 -5.833 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.513 -7.298 -4.517 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.713 -6.628 -6.065 1.00 0.00 H ATOM 170 N VAL A 11 -0.735 -2.372 -0.686 1.00 0.00 N ATOM 171 CA VAL A 11 -1.757 -2.373 0.398 1.00 0.00 C ATOM 172 C VAL A 11 -2.664 -1.152 0.242 1.00 0.00 C ATOM 173 O VAL A 11 -3.872 -1.253 0.307 1.00 0.00 O ATOM 174 CB VAL A 11 -0.979 -2.314 1.717 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.465 -3.713 2.062 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.208 -1.352 1.595 1.00 0.00 C ATOM 177 H VAL A 11 0.211 -2.527 -0.476 1.00 0.00 H ATOM 178 HA VAL A 11 -2.343 -3.278 0.357 1.00 0.00 H ATOM 179 HB VAL A 11 -1.638 -1.976 2.503 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.427 -3.920 1.489 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.224 -4.444 1.825 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.235 -3.762 3.116 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.065 -0.517 2.265 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.282 -0.991 0.583 1.00 0.00 H ATOM 185 HG23 VAL A 11 1.119 -1.869 1.857 1.00 0.00 H ATOM 186 N ALA A 12 -2.090 0.000 0.018 1.00 0.00 N ATOM 187 CA ALA A 12 -2.922 1.218 -0.160 1.00 0.00 C ATOM 188 C ALA A 12 -3.898 1.008 -1.308 1.00 0.00 C ATOM 189 O ALA A 12 -4.950 1.608 -1.345 1.00 0.00 O ATOM 190 CB ALA A 12 -1.946 2.338 -0.471 1.00 0.00 C ATOM 191 H ALA A 12 -1.115 0.060 -0.042 1.00 0.00 H ATOM 192 HA ALA A 12 -3.460 1.443 0.741 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.416 2.609 0.430 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.491 3.193 -0.840 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.245 2.004 -1.219 1.00 0.00 H ATOM 196 N GLU A 13 -3.583 0.145 -2.235 1.00 0.00 N ATOM 197 CA GLU A 13 -4.540 -0.103 -3.340 1.00 0.00 C ATOM 198 C GLU A 13 -5.764 -0.773 -2.734 1.00 0.00 C ATOM 199 O GLU A 13 -6.891 -0.527 -3.124 1.00 0.00 O ATOM 200 CB GLU A 13 -3.833 -1.034 -4.322 1.00 0.00 C ATOM 201 CG GLU A 13 -4.710 -1.216 -5.564 1.00 0.00 C ATOM 202 CD GLU A 13 -4.676 -2.683 -5.997 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.992 -3.454 -5.348 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.336 -3.007 -6.971 1.00 0.00 O ATOM 205 H GLU A 13 -2.742 -0.349 -2.188 1.00 0.00 H ATOM 206 HA GLU A 13 -4.808 0.820 -3.817 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.886 -0.602 -4.609 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.668 -1.994 -3.855 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.727 -0.931 -5.332 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.335 -0.597 -6.364 1.00 0.00 H ATOM 211 N LYS A 14 -5.544 -1.585 -1.736 1.00 0.00 N ATOM 212 CA LYS A 14 -6.671 -2.234 -1.052 1.00 0.00 C ATOM 213 C LYS A 14 -7.350 -1.174 -0.208 1.00 0.00 C ATOM 214 O LYS A 14 -8.530 -1.209 0.010 1.00 0.00 O ATOM 215 CB LYS A 14 -6.051 -3.316 -0.174 1.00 0.00 C ATOM 216 CG LYS A 14 -6.652 -4.676 -0.534 1.00 0.00 C ATOM 217 CD LYS A 14 -6.584 -5.605 0.679 1.00 0.00 C ATOM 218 CE LYS A 14 -7.817 -6.510 0.694 1.00 0.00 C ATOM 219 NZ LYS A 14 -8.354 -6.398 2.078 1.00 0.00 N ATOM 220 H LYS A 14 -4.639 -1.734 -1.413 1.00 0.00 H ATOM 221 HA LYS A 14 -7.352 -2.664 -1.758 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.984 -3.338 -0.336 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.256 -3.097 0.860 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.684 -4.545 -0.829 1.00 0.00 H ATOM 225 HG3 LYS A 14 -6.098 -5.111 -1.353 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.691 -6.210 0.619 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.562 -5.015 1.583 1.00 0.00 H ATOM 228 HE2 LYS A 14 -8.547 -6.161 -0.025 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.540 -7.531 0.485 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.586 -6.553 2.761 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -9.095 -7.113 2.221 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -8.755 -5.450 2.217 1.00 0.00 H ATOM 233 N PHE A 15 -6.594 -0.207 0.242 1.00 0.00 N ATOM 234 CA PHE A 15 -7.181 0.887 1.054 1.00 0.00 C ATOM 235 C PHE A 15 -7.940 1.834 0.130 1.00 0.00 C ATOM 236 O PHE A 15 -8.801 2.580 0.550 1.00 0.00 O ATOM 237 CB PHE A 15 -5.987 1.576 1.712 1.00 0.00 C ATOM 238 CG PHE A 15 -6.388 2.209 3.029 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.346 1.601 3.854 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.787 3.410 3.430 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.702 2.195 5.071 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.144 4.003 4.648 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.101 3.395 5.467 1.00 0.00 C ATOM 244 H PHE A 15 -5.640 -0.193 0.027 1.00 0.00 H ATOM 245 HA PHE A 15 -7.835 0.482 1.794 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.214 0.845 1.893 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.608 2.339 1.050 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.810 0.675 3.557 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.049 3.881 2.800 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.440 1.727 5.704 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.681 4.928 4.956 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.376 3.851 6.407 1.00 0.00 H ATOM 253 N LYS A 16 -7.644 1.778 -1.138 1.00 0.00 N ATOM 254 CA LYS A 16 -8.366 2.636 -2.109 1.00 0.00 C ATOM 255 C LYS A 16 -9.697 1.964 -2.435 1.00 0.00 C ATOM 256 O LYS A 16 -10.687 2.610 -2.712 1.00 0.00 O ATOM 257 CB LYS A 16 -7.465 2.707 -3.346 1.00 0.00 C ATOM 258 CG LYS A 16 -8.153 3.523 -4.448 1.00 0.00 C ATOM 259 CD LYS A 16 -7.095 4.125 -5.378 1.00 0.00 C ATOM 260 CE LYS A 16 -6.345 5.239 -4.642 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.188 5.574 -5.520 1.00 0.00 N ATOM 262 H LYS A 16 -6.965 1.153 -1.452 1.00 0.00 H ATOM 263 HA LYS A 16 -8.527 3.615 -1.698 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.530 3.179 -3.082 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.274 1.709 -3.709 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.806 2.877 -5.018 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.732 4.317 -4.000 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.398 3.356 -5.677 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.576 4.536 -6.253 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.986 6.100 -4.516 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.994 4.886 -3.686 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -4.827 6.517 -5.271 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.494 5.571 -6.514 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -4.434 4.871 -5.385 1.00 0.00 H ATOM 275 N GLU A 17 -9.727 0.659 -2.378 1.00 0.00 N ATOM 276 CA GLU A 17 -10.990 -0.071 -2.654 1.00 0.00 C ATOM 277 C GLU A 17 -11.633 -0.499 -1.333 1.00 0.00 C ATOM 278 O GLU A 17 -12.799 -0.839 -1.271 1.00 0.00 O ATOM 279 CB GLU A 17 -10.585 -1.286 -3.483 1.00 0.00 C ATOM 280 CG GLU A 17 -10.929 -1.033 -4.952 1.00 0.00 C ATOM 281 CD GLU A 17 -12.327 -1.578 -5.243 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.584 -2.717 -4.891 1.00 0.00 O ATOM 283 OE2 GLU A 17 -13.119 -0.845 -5.813 1.00 0.00 O ATOM 284 H GLU A 17 -8.923 0.162 -2.133 1.00 0.00 H ATOM 285 HA GLU A 17 -11.655 0.548 -3.209 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.524 -1.453 -3.384 1.00 0.00 H ATOM 287 HB3 GLU A 17 -11.124 -2.154 -3.135 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.908 0.029 -5.148 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.210 -1.533 -5.584 1.00 0.00 H ATOM 290 N ALA A 18 -10.871 -0.475 -0.279 1.00 0.00 N ATOM 291 CA ALA A 18 -11.396 -0.865 1.053 1.00 0.00 C ATOM 292 C ALA A 18 -11.781 0.391 1.831 1.00 0.00 C ATOM 293 O ALA A 18 -12.534 0.342 2.784 1.00 0.00 O ATOM 294 CB ALA A 18 -10.229 -1.583 1.735 1.00 0.00 C ATOM 295 H ALA A 18 -9.948 -0.189 -0.361 1.00 0.00 H ATOM 296 HA ALA A 18 -12.232 -1.526 0.947 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.890 -2.398 1.107 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.543 -1.971 2.688 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.414 -0.885 1.879 1.00 0.00 H ATOM 300 N PHE A 19 -11.262 1.515 1.407 1.00 0.00 N ATOM 301 CA PHE A 19 -11.560 2.815 2.082 1.00 0.00 C ATOM 302 C PHE A 19 -11.824 2.614 3.580 1.00 0.00 C ATOM 303 O PHE A 19 -12.937 2.361 3.992 1.00 0.00 O ATOM 304 CB PHE A 19 -12.788 3.376 1.352 1.00 0.00 C ATOM 305 CG PHE A 19 -13.958 2.423 1.468 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.071 1.345 0.581 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.931 2.620 2.456 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.152 0.465 0.684 1.00 0.00 C ATOM 309 CE2 PHE A 19 -16.012 1.739 2.558 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.123 0.662 1.673 1.00 0.00 C ATOM 311 H PHE A 19 -10.667 1.501 0.629 1.00 0.00 H ATOM 312 HA PHE A 19 -10.730 3.489 1.948 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.057 4.327 1.783 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.543 3.513 0.308 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.321 1.192 -0.181 1.00 0.00 H ATOM 316 HD2 PHE A 19 -14.845 3.453 3.139 1.00 0.00 H ATOM 317 HE1 PHE A 19 -15.239 -0.367 0.000 1.00 0.00 H ATOM 318 HE2 PHE A 19 -16.761 1.889 3.324 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.955 -0.017 1.753 1.00 0.00 H HETATM 320 N NH2 A 20 -10.827 2.708 4.420 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -10.980 2.575 5.378 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -9.928 2.912 4.090 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 51 HETATM 1 C ACE A 1 12.188 -1.638 -0.332 1.00 0.00 C HETATM 2 O ACE A 1 11.265 -0.903 -0.041 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.035 -2.305 0.742 1.00 0.00 C HETATM 4 H1 ACE A 1 12.395 -2.904 1.375 1.00 0.00 H HETATM 5 H2 ACE A 1 13.526 -1.550 1.334 1.00 0.00 H HETATM 6 H3 ACE A 1 13.773 -2.939 0.275 1.00 0.00 H ATOM 7 N ASP A 2 12.456 -1.926 -1.571 1.00 0.00 N ATOM 8 CA ASP A 2 11.629 -1.350 -2.641 1.00 0.00 C ATOM 9 C ASP A 2 10.277 -2.001 -2.491 1.00 0.00 C ATOM 10 O ASP A 2 9.252 -1.409 -2.728 1.00 0.00 O ATOM 11 CB ASP A 2 12.301 -1.760 -3.950 1.00 0.00 C ATOM 12 CG ASP A 2 11.537 -1.158 -5.131 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.457 -0.635 -4.910 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.046 -1.232 -6.237 1.00 0.00 O ATOM 15 H ASP A 2 13.158 -2.552 -1.789 1.00 0.00 H ATOM 16 HA ASP A 2 11.568 -0.280 -2.553 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.319 -1.399 -3.957 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.298 -2.835 -4.033 1.00 0.00 H ATOM 19 N TRP A 3 10.302 -3.231 -2.045 1.00 0.00 N ATOM 20 CA TRP A 3 9.055 -3.981 -1.809 1.00 0.00 C ATOM 21 C TRP A 3 8.350 -3.409 -0.559 1.00 0.00 C ATOM 22 O TRP A 3 7.183 -3.653 -0.323 1.00 0.00 O ATOM 23 CB TRP A 3 9.503 -5.434 -1.580 1.00 0.00 C ATOM 24 CG TRP A 3 9.922 -5.579 -0.162 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.677 -4.681 0.496 1.00 0.00 C ATOM 26 CD2 TRP A 3 9.616 -6.636 0.788 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.820 -5.082 1.793 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.204 -6.298 2.029 1.00 0.00 C ATOM 29 CE3 TRP A 3 8.890 -7.837 0.701 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.081 -7.123 3.145 1.00 0.00 C ATOM 31 CZ3 TRP A 3 8.767 -8.673 1.821 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.360 -8.316 3.042 1.00 0.00 C ATOM 33 H TRP A 3 11.159 -3.655 -1.847 1.00 0.00 H ATOM 34 HA TRP A 3 8.427 -3.923 -2.667 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.681 -6.104 -1.787 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.334 -5.667 -2.230 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.077 -3.772 0.080 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.304 -4.583 2.471 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.430 -8.121 -0.234 1.00 0.00 H ATOM 40 HZ2 TRP A 3 10.540 -6.843 4.082 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.210 -9.594 1.744 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.260 -8.963 3.901 1.00 0.00 H ATOM 43 N PHE A 4 9.058 -2.637 0.239 1.00 0.00 N ATOM 44 CA PHE A 4 8.449 -2.045 1.457 1.00 0.00 C ATOM 45 C PHE A 4 7.719 -0.789 1.043 1.00 0.00 C ATOM 46 O PHE A 4 6.513 -0.706 1.125 1.00 0.00 O ATOM 47 CB PHE A 4 9.614 -1.731 2.387 1.00 0.00 C ATOM 48 CG PHE A 4 9.582 -2.660 3.577 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.039 -3.946 3.453 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.100 -2.233 4.803 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.015 -4.803 4.560 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.076 -3.090 5.909 1.00 0.00 C ATOM 53 CZ PHE A 4 9.534 -4.374 5.788 1.00 0.00 C ATOM 54 H PHE A 4 9.985 -2.436 0.025 1.00 0.00 H ATOM 55 HA PHE A 4 7.779 -2.740 1.916 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.541 -1.863 1.854 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.533 -0.710 2.727 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.638 -4.276 2.505 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.518 -1.242 4.896 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.597 -5.794 4.466 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.477 -2.759 6.856 1.00 0.00 H ATOM 62 HZ PHE A 4 9.518 -5.035 6.642 1.00 0.00 H ATOM 63 N LYS A 5 8.421 0.165 0.515 1.00 0.00 N ATOM 64 CA LYS A 5 7.709 1.356 0.018 1.00 0.00 C ATOM 65 C LYS A 5 6.728 0.854 -1.034 1.00 0.00 C ATOM 66 O LYS A 5 5.745 1.497 -1.351 1.00 0.00 O ATOM 67 CB LYS A 5 8.775 2.256 -0.591 1.00 0.00 C ATOM 68 CG LYS A 5 8.660 3.654 0.018 1.00 0.00 C ATOM 69 CD LYS A 5 9.335 3.666 1.390 1.00 0.00 C ATOM 70 CE LYS A 5 8.561 4.589 2.336 1.00 0.00 C ATOM 71 NZ LYS A 5 9.045 4.237 3.701 1.00 0.00 N ATOM 72 H LYS A 5 9.387 0.065 0.389 1.00 0.00 H ATOM 73 HA LYS A 5 7.193 1.857 0.815 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.752 1.847 -0.377 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.631 2.316 -1.657 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.142 4.370 -0.631 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.618 3.912 0.131 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.350 2.664 1.792 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.348 4.027 1.286 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.780 5.622 2.112 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.500 4.402 2.260 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.786 4.907 3.989 1.00 0.00 H ATOM 83 HZ2 LYS A 5 9.437 3.272 3.693 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.255 4.286 4.375 1.00 0.00 H ATOM 85 N ALA A 6 6.979 -0.332 -1.544 1.00 0.00 N ATOM 86 CA ALA A 6 6.056 -0.927 -2.537 1.00 0.00 C ATOM 87 C ALA A 6 4.868 -1.522 -1.792 1.00 0.00 C ATOM 88 O ALA A 6 3.830 -1.779 -2.362 1.00 0.00 O ATOM 89 CB ALA A 6 6.871 -2.003 -3.223 1.00 0.00 C ATOM 90 H ALA A 6 7.766 -0.848 -1.246 1.00 0.00 H ATOM 91 HA ALA A 6 5.736 -0.194 -3.245 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.216 -2.732 -3.670 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.492 -2.476 -2.491 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.493 -1.554 -3.986 1.00 0.00 H ATOM 95 N PHE A 7 5.016 -1.712 -0.503 1.00 0.00 N ATOM 96 CA PHE A 7 3.906 -2.239 0.313 1.00 0.00 C ATOM 97 C PHE A 7 3.017 -1.064 0.688 1.00 0.00 C ATOM 98 O PHE A 7 1.867 -1.016 0.326 1.00 0.00 O ATOM 99 CB PHE A 7 4.550 -2.849 1.556 1.00 0.00 C ATOM 100 CG PHE A 7 4.635 -4.346 1.405 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.485 -5.088 1.111 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.865 -4.994 1.564 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.567 -6.478 0.974 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.947 -6.384 1.427 1.00 0.00 C ATOM 105 CZ PHE A 7 4.798 -7.126 1.132 1.00 0.00 C ATOM 106 H PHE A 7 5.851 -1.477 -0.072 1.00 0.00 H ATOM 107 HA PHE A 7 3.357 -2.979 -0.228 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.540 -2.446 1.681 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.950 -2.609 2.421 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.535 -4.588 0.989 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.752 -4.420 1.791 1.00 0.00 H ATOM 112 HE1 PHE A 7 2.682 -7.051 0.745 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.898 -6.881 1.548 1.00 0.00 H ATOM 114 HZ PHE A 7 4.860 -8.199 1.028 1.00 0.00 H ATOM 115 N TYR A 8 3.557 -0.086 1.374 1.00 0.00 N ATOM 116 CA TYR A 8 2.735 1.107 1.724 1.00 0.00 C ATOM 117 C TYR A 8 1.931 1.503 0.491 1.00 0.00 C ATOM 118 O TYR A 8 0.779 1.884 0.572 1.00 0.00 O ATOM 119 CB TYR A 8 3.736 2.200 2.092 1.00 0.00 C ATOM 120 CG TYR A 8 2.996 3.476 2.428 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.325 4.186 1.422 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.986 3.954 3.745 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.645 5.370 1.735 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.306 5.140 4.056 1.00 0.00 C ATOM 125 CZ TYR A 8 1.636 5.847 3.051 1.00 0.00 C ATOM 126 OH TYR A 8 0.969 7.016 3.358 1.00 0.00 O ATOM 127 H TYR A 8 4.502 -0.127 1.626 1.00 0.00 H ATOM 128 HA TYR A 8 2.084 0.893 2.556 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.314 1.883 2.947 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.397 2.380 1.258 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.332 3.818 0.406 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.502 3.407 4.520 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.128 5.917 0.958 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.299 5.506 5.071 1.00 0.00 H ATOM 135 HH TYR A 8 0.981 7.122 4.312 1.00 0.00 H ATOM 136 N ASP A 9 2.532 1.370 -0.661 1.00 0.00 N ATOM 137 CA ASP A 9 1.808 1.692 -1.916 1.00 0.00 C ATOM 138 C ASP A 9 0.697 0.660 -2.118 1.00 0.00 C ATOM 139 O ASP A 9 -0.448 0.994 -2.348 1.00 0.00 O ATOM 140 CB ASP A 9 2.853 1.579 -3.024 1.00 0.00 C ATOM 141 CG ASP A 9 2.902 2.887 -3.814 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.846 3.377 -4.178 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.997 3.378 -4.043 1.00 0.00 O ATOM 144 H ASP A 9 3.456 1.034 -0.698 1.00 0.00 H ATOM 145 HA ASP A 9 1.412 2.686 -1.879 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.819 1.386 -2.585 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.586 0.771 -3.686 1.00 0.00 H ATOM 148 N LYS A 10 1.036 -0.597 -2.008 1.00 0.00 N ATOM 149 CA LYS A 10 0.016 -1.670 -2.168 1.00 0.00 C ATOM 150 C LYS A 10 -1.062 -1.511 -1.095 1.00 0.00 C ATOM 151 O LYS A 10 -2.232 -1.398 -1.389 1.00 0.00 O ATOM 152 CB LYS A 10 0.782 -2.976 -1.980 1.00 0.00 C ATOM 153 CG LYS A 10 0.274 -4.018 -2.977 1.00 0.00 C ATOM 154 CD LYS A 10 1.282 -5.167 -3.072 1.00 0.00 C ATOM 155 CE LYS A 10 0.650 -6.343 -3.821 1.00 0.00 C ATOM 156 NZ LYS A 10 1.382 -7.550 -3.343 1.00 0.00 N ATOM 157 H LYS A 10 1.960 -0.832 -1.808 1.00 0.00 H ATOM 158 HA LYS A 10 -0.416 -1.635 -3.150 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.833 -2.799 -2.147 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.630 -3.338 -0.977 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.680 -4.401 -2.643 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.159 -3.561 -3.949 1.00 0.00 H ATOM 163 HD2 LYS A 10 2.162 -4.831 -3.602 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.560 -5.484 -2.078 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.401 -6.419 -3.580 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.786 -6.226 -4.884 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.651 -8.135 -4.157 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.765 -8.100 -2.709 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.238 -7.262 -2.828 1.00 0.00 H ATOM 170 N VAL A 11 -0.673 -1.485 0.149 1.00 0.00 N ATOM 171 CA VAL A 11 -1.670 -1.304 1.232 1.00 0.00 C ATOM 172 C VAL A 11 -2.628 -0.181 0.837 1.00 0.00 C ATOM 173 O VAL A 11 -3.824 -0.275 1.026 1.00 0.00 O ATOM 174 CB VAL A 11 -0.855 -0.915 2.453 1.00 0.00 C ATOM 175 CG1 VAL A 11 -1.768 -0.807 3.675 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.225 -1.970 2.716 1.00 0.00 C ATOM 177 H VAL A 11 0.269 -1.571 0.367 1.00 0.00 H ATOM 178 HA VAL A 11 -2.196 -2.208 1.421 1.00 0.00 H ATOM 179 HB VAL A 11 -0.399 0.027 2.266 1.00 0.00 H ATOM 180 HG11 VAL A 11 -2.429 -1.659 3.706 1.00 0.00 H ATOM 181 HG12 VAL A 11 -2.350 0.100 3.611 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.166 -0.786 4.571 1.00 0.00 H ATOM 183 HG21 VAL A 11 1.092 -1.757 2.110 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.156 -2.947 2.465 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.505 -1.950 3.759 1.00 0.00 H ATOM 186 N ALA A 12 -2.103 0.875 0.268 1.00 0.00 N ATOM 187 CA ALA A 12 -2.975 1.998 -0.165 1.00 0.00 C ATOM 188 C ALA A 12 -3.889 1.531 -1.289 1.00 0.00 C ATOM 189 O ALA A 12 -4.961 2.059 -1.483 1.00 0.00 O ATOM 190 CB ALA A 12 -2.032 3.089 -0.652 1.00 0.00 C ATOM 191 H ALA A 12 -1.139 0.921 0.115 1.00 0.00 H ATOM 192 HA ALA A 12 -3.555 2.361 0.660 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.156 3.968 -0.035 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.267 3.332 -1.677 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.015 2.741 -0.586 1.00 0.00 H ATOM 196 N GLU A 13 -3.485 0.528 -2.019 1.00 0.00 N ATOM 197 CA GLU A 13 -4.358 0.014 -3.101 1.00 0.00 C ATOM 198 C GLU A 13 -5.471 -0.805 -2.460 1.00 0.00 C ATOM 199 O GLU A 13 -6.563 -0.917 -2.984 1.00 0.00 O ATOM 200 CB GLU A 13 -3.474 -0.857 -3.988 1.00 0.00 C ATOM 201 CG GLU A 13 -2.986 -0.034 -5.184 1.00 0.00 C ATOM 202 CD GLU A 13 -4.025 -0.097 -6.308 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.635 -1.141 -6.466 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.192 0.901 -6.991 1.00 0.00 O ATOM 205 H GLU A 13 -2.624 0.103 -1.840 1.00 0.00 H ATOM 206 HA GLU A 13 -4.765 0.827 -3.666 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.627 -1.206 -3.422 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.046 -1.699 -4.344 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.849 0.993 -4.880 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.049 -0.434 -5.540 1.00 0.00 H ATOM 211 N LYS A 14 -5.213 -1.338 -1.294 1.00 0.00 N ATOM 212 CA LYS A 14 -6.247 -2.097 -0.579 1.00 0.00 C ATOM 213 C LYS A 14 -7.140 -1.073 0.092 1.00 0.00 C ATOM 214 O LYS A 14 -8.314 -1.278 0.262 1.00 0.00 O ATOM 215 CB LYS A 14 -5.494 -2.950 0.447 1.00 0.00 C ATOM 216 CG LYS A 14 -6.491 -3.701 1.334 1.00 0.00 C ATOM 217 CD LYS A 14 -5.746 -4.756 2.157 1.00 0.00 C ATOM 218 CE LYS A 14 -5.509 -4.227 3.575 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.354 -5.011 4.104 1.00 0.00 N ATOM 220 H LYS A 14 -4.352 -1.200 -0.872 1.00 0.00 H ATOM 221 HA LYS A 14 -6.803 -2.712 -1.258 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.866 -3.661 -0.070 1.00 0.00 H ATOM 223 HB3 LYS A 14 -4.880 -2.310 1.064 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.977 -3.003 1.999 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.230 -4.187 0.715 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.336 -5.660 2.203 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.795 -4.970 1.691 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.268 -3.173 3.545 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.381 -4.395 4.189 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.683 -5.633 4.872 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -3.632 -4.358 4.470 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -3.946 -5.591 3.343 1.00 0.00 H ATOM 233 N PHE A 15 -6.575 0.057 0.428 1.00 0.00 N ATOM 234 CA PHE A 15 -7.372 1.144 1.044 1.00 0.00 C ATOM 235 C PHE A 15 -8.267 1.742 -0.039 1.00 0.00 C ATOM 236 O PHE A 15 -9.370 2.183 0.214 1.00 0.00 O ATOM 237 CB PHE A 15 -6.331 2.158 1.545 1.00 0.00 C ATOM 238 CG PHE A 15 -6.974 3.507 1.789 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.452 4.265 0.711 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.083 4.007 3.095 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.038 5.514 0.937 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.670 5.258 3.319 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.148 6.010 2.241 1.00 0.00 C ATOM 244 H PHE A 15 -5.627 0.201 0.241 1.00 0.00 H ATOM 245 HA PHE A 15 -7.954 0.767 1.860 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.901 1.799 2.469 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.550 2.264 0.807 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.368 3.883 -0.297 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.715 3.425 3.928 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.410 6.094 0.106 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.753 5.643 4.325 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.602 6.974 2.414 1.00 0.00 H ATOM 253 N LYS A 16 -7.796 1.730 -1.256 1.00 0.00 N ATOM 254 CA LYS A 16 -8.604 2.264 -2.382 1.00 0.00 C ATOM 255 C LYS A 16 -9.694 1.252 -2.713 1.00 0.00 C ATOM 256 O LYS A 16 -10.763 1.590 -3.180 1.00 0.00 O ATOM 257 CB LYS A 16 -7.623 2.406 -3.542 1.00 0.00 C ATOM 258 CG LYS A 16 -7.761 3.798 -4.165 1.00 0.00 C ATOM 259 CD LYS A 16 -7.402 4.858 -3.123 1.00 0.00 C ATOM 260 CE LYS A 16 -6.562 5.954 -3.780 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.245 7.228 -3.420 1.00 0.00 N ATOM 262 H LYS A 16 -6.917 1.347 -1.430 1.00 0.00 H ATOM 263 HA LYS A 16 -9.022 3.216 -2.128 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.617 2.276 -3.174 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.837 1.658 -4.287 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.091 3.882 -5.010 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.778 3.949 -4.495 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.306 5.288 -2.720 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.833 4.401 -2.328 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.554 5.940 -3.388 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.552 5.830 -4.852 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.057 7.453 -2.422 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.271 7.122 -3.565 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.886 7.996 -4.020 1.00 0.00 H ATOM 275 N GLU A 17 -9.423 0.007 -2.441 1.00 0.00 N ATOM 276 CA GLU A 17 -10.422 -1.056 -2.696 1.00 0.00 C ATOM 277 C GLU A 17 -11.121 -1.412 -1.381 1.00 0.00 C ATOM 278 O GLU A 17 -12.099 -2.132 -1.353 1.00 0.00 O ATOM 279 CB GLU A 17 -9.617 -2.241 -3.220 1.00 0.00 C ATOM 280 CG GLU A 17 -10.226 -2.735 -4.535 1.00 0.00 C ATOM 281 CD GLU A 17 -11.072 -3.981 -4.268 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.587 -4.099 -3.169 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.190 -4.796 -5.168 1.00 0.00 O ATOM 284 H GLU A 17 -8.563 -0.226 -2.047 1.00 0.00 H ATOM 285 HA GLU A 17 -11.128 -0.737 -3.430 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.596 -1.932 -3.390 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.638 -3.038 -2.496 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.850 -1.958 -4.955 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.437 -2.978 -5.229 1.00 0.00 H ATOM 290 N ALA A 18 -10.615 -0.900 -0.289 1.00 0.00 N ATOM 291 CA ALA A 18 -11.221 -1.178 1.037 1.00 0.00 C ATOM 292 C ALA A 18 -12.279 -0.121 1.341 1.00 0.00 C ATOM 293 O ALA A 18 -13.154 -0.311 2.160 1.00 0.00 O ATOM 294 CB ALA A 18 -10.053 -1.071 2.019 1.00 0.00 C ATOM 295 H ALA A 18 -9.832 -0.325 -0.342 1.00 0.00 H ATOM 296 HA ALA A 18 -11.641 -2.165 1.060 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.448 -0.219 1.754 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.450 -1.968 1.962 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.427 -0.949 3.021 1.00 0.00 H ATOM 300 N PHE A 19 -12.196 0.996 0.673 1.00 0.00 N ATOM 301 CA PHE A 19 -13.180 2.082 0.895 1.00 0.00 C ATOM 302 C PHE A 19 -13.623 2.675 -0.446 1.00 0.00 C ATOM 303 O PHE A 19 -12.828 3.245 -1.168 1.00 0.00 O ATOM 304 CB PHE A 19 -12.440 3.126 1.726 1.00 0.00 C ATOM 305 CG PHE A 19 -12.949 3.092 3.149 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.213 3.613 3.450 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.158 2.541 4.166 1.00 0.00 C ATOM 308 CE1 PHE A 19 -14.688 3.583 4.766 1.00 0.00 C ATOM 309 CE2 PHE A 19 -12.634 2.512 5.483 1.00 0.00 C ATOM 310 CZ PHE A 19 -13.900 3.033 5.783 1.00 0.00 C ATOM 311 H PHE A 19 -11.484 1.118 0.023 1.00 0.00 H ATOM 312 HA PHE A 19 -14.019 1.710 1.441 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.383 2.908 1.714 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.614 4.104 1.306 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.823 4.037 2.665 1.00 0.00 H ATOM 316 HD2 PHE A 19 -11.183 2.139 3.936 1.00 0.00 H ATOM 317 HE1 PHE A 19 -15.664 3.986 4.998 1.00 0.00 H ATOM 318 HE2 PHE A 19 -12.026 2.087 6.269 1.00 0.00 H ATOM 319 HZ PHE A 19 -14.266 3.010 6.799 1.00 0.00 H HETATM 320 N NH2 A 20 -14.870 2.560 -0.816 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -15.162 2.930 -1.674 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -15.514 2.101 -0.235 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 52 HETATM 1 C ACE A 1 11.751 -1.530 -0.750 1.00 0.00 C HETATM 2 O ACE A 1 10.906 -0.712 -0.445 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.085 -1.601 -0.028 1.00 0.00 C HETATM 4 H1 ACE A 1 13.661 -0.720 -0.249 1.00 0.00 H HETATM 5 H2 ACE A 1 13.620 -2.481 -0.355 1.00 0.00 H HETATM 6 H3 ACE A 1 12.909 -1.666 1.037 1.00 0.00 H ATOM 7 N ASP A 2 11.534 -2.416 -1.680 1.00 0.00 N ATOM 8 CA ASP A 2 10.233 -2.437 -2.388 1.00 0.00 C ATOM 9 C ASP A 2 9.156 -2.802 -1.371 1.00 0.00 C ATOM 10 O ASP A 2 7.979 -2.756 -1.629 1.00 0.00 O ATOM 11 CB ASP A 2 10.369 -3.526 -3.453 1.00 0.00 C ATOM 12 CG ASP A 2 11.606 -3.253 -4.310 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.181 -2.186 -4.163 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.958 -4.114 -5.098 1.00 0.00 O ATOM 15 H ASP A 2 12.210 -3.086 -1.882 1.00 0.00 H ATOM 16 HA ASP A 2 10.032 -1.483 -2.843 1.00 0.00 H ATOM 17 HB2 ASP A 2 10.468 -4.489 -2.971 1.00 0.00 H ATOM 18 HB3 ASP A 2 9.491 -3.525 -4.081 1.00 0.00 H ATOM 19 N TRP A 3 9.559 -3.177 -0.204 1.00 0.00 N ATOM 20 CA TRP A 3 8.572 -3.547 0.826 1.00 0.00 C ATOM 21 C TRP A 3 8.153 -2.259 1.499 1.00 0.00 C ATOM 22 O TRP A 3 7.032 -2.084 1.928 1.00 0.00 O ATOM 23 CB TRP A 3 9.303 -4.539 1.736 1.00 0.00 C ATOM 24 CG TRP A 3 10.164 -5.356 0.834 1.00 0.00 C ATOM 25 CD1 TRP A 3 9.808 -5.708 -0.419 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.497 -5.868 1.042 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.849 -6.355 -1.014 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.917 -6.510 -0.146 1.00 0.00 C ATOM 29 CE3 TRP A 3 12.372 -5.833 2.130 1.00 0.00 C ATOM 30 CZ2 TRP A 3 13.176 -7.097 -0.247 1.00 0.00 C ATOM 31 CZ3 TRP A 3 13.640 -6.428 2.039 1.00 0.00 C ATOM 32 CH2 TRP A 3 14.043 -7.059 0.851 1.00 0.00 C ATOM 33 H TRP A 3 10.507 -3.226 0.001 1.00 0.00 H ATOM 34 HA TRP A 3 7.747 -4.022 0.359 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.910 -4.008 2.457 1.00 0.00 H ATOM 36 HB3 TRP A 3 8.594 -5.176 2.243 1.00 0.00 H ATOM 37 HD1 TRP A 3 8.868 -5.470 -0.891 1.00 0.00 H ATOM 38 HE1 TRP A 3 10.842 -6.683 -1.931 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.062 -5.347 3.044 1.00 0.00 H ATOM 40 HZ2 TRP A 3 13.480 -7.574 -1.164 1.00 0.00 H ATOM 41 HZ3 TRP A 3 14.309 -6.399 2.886 1.00 0.00 H ATOM 42 HH2 TRP A 3 15.019 -7.516 0.785 1.00 0.00 H ATOM 43 N PHE A 4 9.042 -1.316 1.507 1.00 0.00 N ATOM 44 CA PHE A 4 8.697 -0.002 2.064 1.00 0.00 C ATOM 45 C PHE A 4 7.824 0.727 1.036 1.00 0.00 C ATOM 46 O PHE A 4 6.764 1.238 1.345 1.00 0.00 O ATOM 47 CB PHE A 4 10.032 0.712 2.259 1.00 0.00 C ATOM 48 CG PHE A 4 10.068 1.355 3.624 1.00 0.00 C ATOM 49 CD1 PHE A 4 10.220 0.561 4.768 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.949 2.744 3.746 1.00 0.00 C ATOM 51 CE1 PHE A 4 10.254 1.159 6.034 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.983 3.341 5.013 1.00 0.00 C ATOM 53 CZ PHE A 4 10.135 2.548 6.156 1.00 0.00 C ATOM 54 H PHE A 4 9.918 -1.459 1.094 1.00 0.00 H ATOM 55 HA PHE A 4 8.196 -0.111 2.998 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.834 -0.003 2.176 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.144 1.471 1.501 1.00 0.00 H ATOM 58 HD1 PHE A 4 10.312 -0.510 4.674 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.833 3.355 2.863 1.00 0.00 H ATOM 60 HE1 PHE A 4 10.372 0.547 6.916 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.892 4.413 5.106 1.00 0.00 H ATOM 62 HZ PHE A 4 10.160 3.009 7.133 1.00 0.00 H ATOM 63 N LYS A 5 8.272 0.764 -0.197 1.00 0.00 N ATOM 64 CA LYS A 5 7.499 1.453 -1.263 1.00 0.00 C ATOM 65 C LYS A 5 6.590 0.495 -2.050 1.00 0.00 C ATOM 66 O LYS A 5 5.455 0.825 -2.330 1.00 0.00 O ATOM 67 CB LYS A 5 8.553 2.058 -2.186 1.00 0.00 C ATOM 68 CG LYS A 5 8.446 3.586 -2.154 1.00 0.00 C ATOM 69 CD LYS A 5 9.792 4.186 -1.740 1.00 0.00 C ATOM 70 CE LYS A 5 9.760 4.526 -0.248 1.00 0.00 C ATOM 71 NZ LYS A 5 9.848 6.012 -0.190 1.00 0.00 N ATOM 72 H LYS A 5 9.122 0.341 -0.417 1.00 0.00 H ATOM 73 HA LYS A 5 6.918 2.240 -0.833 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.535 1.757 -1.854 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.387 1.710 -3.193 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.178 3.948 -3.136 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.689 3.881 -1.443 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.579 3.471 -1.933 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.976 5.086 -2.307 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.835 4.183 0.195 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.607 4.085 0.257 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.269 6.425 -0.947 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.840 6.305 -0.311 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.498 6.345 0.731 1.00 0.00 H ATOM 85 N ALA A 6 7.050 -0.677 -2.438 1.00 0.00 N ATOM 86 CA ALA A 6 6.141 -1.564 -3.216 1.00 0.00 C ATOM 87 C ALA A 6 5.101 -2.206 -2.297 1.00 0.00 C ATOM 88 O ALA A 6 4.047 -2.615 -2.741 1.00 0.00 O ATOM 89 CB ALA A 6 7.025 -2.616 -3.879 1.00 0.00 C ATOM 90 H ALA A 6 7.970 -0.966 -2.233 1.00 0.00 H ATOM 91 HA ALA A 6 5.650 -0.992 -3.977 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.761 -2.698 -4.922 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.877 -3.567 -3.391 1.00 0.00 H ATOM 94 HB3 ALA A 6 8.059 -2.320 -3.792 1.00 0.00 H ATOM 95 N PHE A 7 5.364 -2.287 -1.016 1.00 0.00 N ATOM 96 CA PHE A 7 4.352 -2.887 -0.112 1.00 0.00 C ATOM 97 C PHE A 7 3.486 -1.782 0.497 1.00 0.00 C ATOM 98 O PHE A 7 2.279 -1.899 0.558 1.00 0.00 O ATOM 99 CB PHE A 7 5.144 -3.619 0.960 1.00 0.00 C ATOM 100 CG PHE A 7 4.870 -5.103 0.885 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.635 -5.613 1.303 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.857 -5.972 0.403 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.389 -6.990 1.240 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.611 -7.348 0.338 1.00 0.00 C ATOM 105 CZ PHE A 7 4.377 -7.858 0.758 1.00 0.00 C ATOM 106 H PHE A 7 6.209 -1.947 -0.651 1.00 0.00 H ATOM 107 HA PHE A 7 3.747 -3.579 -0.655 1.00 0.00 H ATOM 108 HB2 PHE A 7 6.186 -3.448 0.796 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.862 -3.249 1.933 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.873 -4.944 1.676 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.808 -5.582 0.076 1.00 0.00 H ATOM 112 HE1 PHE A 7 2.438 -7.383 1.561 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.375 -8.017 -0.034 1.00 0.00 H ATOM 114 HZ PHE A 7 4.187 -8.920 0.710 1.00 0.00 H ATOM 115 N TYR A 8 4.083 -0.699 0.934 1.00 0.00 N ATOM 116 CA TYR A 8 3.264 0.399 1.511 1.00 0.00 C ATOM 117 C TYR A 8 2.321 0.944 0.438 1.00 0.00 C ATOM 118 O TYR A 8 1.247 1.437 0.726 1.00 0.00 O ATOM 119 CB TYR A 8 4.268 1.466 1.945 1.00 0.00 C ATOM 120 CG TYR A 8 3.562 2.522 2.762 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.866 3.555 2.122 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.603 2.468 4.160 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.213 4.533 2.879 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.949 3.447 4.918 1.00 0.00 C ATOM 125 CZ TYR A 8 2.255 4.480 4.278 1.00 0.00 C ATOM 126 OH TYR A 8 1.609 5.444 5.024 1.00 0.00 O ATOM 127 H TYR A 8 5.059 -0.604 0.871 1.00 0.00 H ATOM 128 HA TYR A 8 2.709 0.046 2.361 1.00 0.00 H ATOM 129 HB2 TYR A 8 5.042 1.006 2.541 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.707 1.921 1.072 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.834 3.596 1.043 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.138 1.671 4.655 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.677 5.330 2.385 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.981 3.406 5.997 1.00 0.00 H ATOM 135 HH TYR A 8 1.006 5.913 4.444 1.00 0.00 H ATOM 136 N ASP A 9 2.716 0.846 -0.803 1.00 0.00 N ATOM 137 CA ASP A 9 1.850 1.342 -1.905 1.00 0.00 C ATOM 138 C ASP A 9 0.768 0.309 -2.217 1.00 0.00 C ATOM 139 O ASP A 9 -0.390 0.636 -2.383 1.00 0.00 O ATOM 140 CB ASP A 9 2.785 1.513 -3.103 1.00 0.00 C ATOM 141 CG ASP A 9 2.039 2.218 -4.237 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.685 3.372 -4.060 1.00 0.00 O ATOM 143 OD2 ASP A 9 1.832 1.591 -5.263 1.00 0.00 O ATOM 144 H ASP A 9 3.578 0.439 -1.010 1.00 0.00 H ATOM 145 HA ASP A 9 1.414 2.286 -1.641 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.639 2.106 -2.809 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.117 0.544 -3.440 1.00 0.00 H ATOM 148 N LYS A 10 1.140 -0.940 -2.294 1.00 0.00 N ATOM 149 CA LYS A 10 0.138 -1.999 -2.591 1.00 0.00 C ATOM 150 C LYS A 10 -0.992 -1.958 -1.560 1.00 0.00 C ATOM 151 O LYS A 10 -2.155 -1.892 -1.903 1.00 0.00 O ATOM 152 CB LYS A 10 0.909 -3.312 -2.488 1.00 0.00 C ATOM 153 CG LYS A 10 0.458 -4.258 -3.603 1.00 0.00 C ATOM 154 CD LYS A 10 -0.142 -5.522 -2.987 1.00 0.00 C ATOM 155 CE LYS A 10 0.227 -6.735 -3.845 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.219 -7.919 -3.056 1.00 0.00 N ATOM 157 H LYS A 10 2.080 -1.180 -2.155 1.00 0.00 H ATOM 158 HA LYS A 10 -0.250 -1.883 -3.585 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.965 -3.113 -2.587 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.713 -3.767 -1.531 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.284 -3.766 -4.215 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.307 -4.526 -4.214 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.246 -5.655 -1.988 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.217 -5.426 -2.946 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.292 -6.695 -4.793 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.293 -6.775 -4.001 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.601 -8.351 -2.586 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.658 -8.614 -3.694 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.909 -7.620 -2.338 1.00 0.00 H ATOM 170 N VAL A 11 -0.659 -2.000 -0.298 1.00 0.00 N ATOM 171 CA VAL A 11 -1.717 -1.966 0.750 1.00 0.00 C ATOM 172 C VAL A 11 -2.565 -0.698 0.616 1.00 0.00 C ATOM 173 O VAL A 11 -3.779 -0.753 0.623 1.00 0.00 O ATOM 174 CB VAL A 11 -0.969 -1.982 2.085 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.263 -3.328 2.255 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.069 -0.854 2.115 1.00 0.00 C ATOM 177 H VAL A 11 0.284 -2.057 -0.042 1.00 0.00 H ATOM 178 HA VAL A 11 -2.341 -2.841 0.674 1.00 0.00 H ATOM 179 HB VAL A 11 -1.675 -1.843 2.892 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.871 -4.110 1.827 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.111 -3.524 3.307 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.694 -3.299 1.754 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.385 -0.626 1.108 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.924 -1.169 2.696 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.367 0.025 2.563 1.00 0.00 H ATOM 186 N ALA A 12 -1.944 0.445 0.494 1.00 0.00 N ATOM 187 CA ALA A 12 -2.732 1.702 0.359 1.00 0.00 C ATOM 188 C ALA A 12 -3.664 1.611 -0.845 1.00 0.00 C ATOM 189 O ALA A 12 -4.706 2.231 -0.879 1.00 0.00 O ATOM 190 CB ALA A 12 -1.702 2.806 0.170 1.00 0.00 C ATOM 191 H ALA A 12 -0.966 0.477 0.489 1.00 0.00 H ATOM 192 HA ALA A 12 -3.301 1.883 1.248 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.729 2.367 0.022 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.686 3.432 1.051 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.968 3.400 -0.690 1.00 0.00 H ATOM 196 N GLU A 13 -3.311 0.832 -1.827 1.00 0.00 N ATOM 197 CA GLU A 13 -4.200 0.698 -3.005 1.00 0.00 C ATOM 198 C GLU A 13 -5.367 -0.214 -2.644 1.00 0.00 C ATOM 199 O GLU A 13 -6.452 -0.109 -3.188 1.00 0.00 O ATOM 200 CB GLU A 13 -3.337 0.081 -4.101 1.00 0.00 C ATOM 201 CG GLU A 13 -3.043 1.133 -5.172 1.00 0.00 C ATOM 202 CD GLU A 13 -4.315 1.414 -5.973 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.283 1.856 -5.376 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.300 1.184 -7.171 1.00 0.00 O ATOM 205 H GLU A 13 -2.476 0.330 -1.783 1.00 0.00 H ATOM 206 HA GLU A 13 -4.554 1.659 -3.311 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.411 -0.270 -3.674 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.868 -0.745 -4.548 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.707 2.045 -4.697 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.276 0.768 -5.836 1.00 0.00 H ATOM 211 N LYS A 14 -5.164 -1.088 -1.696 1.00 0.00 N ATOM 212 CA LYS A 14 -6.252 -1.976 -1.269 1.00 0.00 C ATOM 213 C LYS A 14 -7.119 -1.202 -0.305 1.00 0.00 C ATOM 214 O LYS A 14 -8.295 -1.433 -0.195 1.00 0.00 O ATOM 215 CB LYS A 14 -5.573 -3.153 -0.578 1.00 0.00 C ATOM 216 CG LYS A 14 -5.103 -4.157 -1.630 1.00 0.00 C ATOM 217 CD LYS A 14 -4.434 -5.347 -0.942 1.00 0.00 C ATOM 218 CE LYS A 14 -5.442 -6.490 -0.806 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.914 -7.338 0.299 1.00 0.00 N ATOM 220 H LYS A 14 -4.308 -1.135 -1.244 1.00 0.00 H ATOM 221 HA LYS A 14 -6.819 -2.310 -2.113 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.724 -2.796 -0.013 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.274 -3.633 0.087 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.953 -4.502 -2.201 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.395 -3.680 -2.291 1.00 0.00 H ATOM 226 HD2 LYS A 14 -3.591 -5.676 -1.534 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.093 -5.051 0.038 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.418 -6.101 -0.552 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.489 -7.061 -1.720 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.263 -8.310 0.187 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.236 -6.955 1.212 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -3.875 -7.338 0.270 1.00 0.00 H ATOM 233 N PHE A 15 -6.533 -0.250 0.372 1.00 0.00 N ATOM 234 CA PHE A 15 -7.316 0.581 1.310 1.00 0.00 C ATOM 235 C PHE A 15 -8.138 1.570 0.499 1.00 0.00 C ATOM 236 O PHE A 15 -9.224 1.966 0.878 1.00 0.00 O ATOM 237 CB PHE A 15 -6.280 1.294 2.176 1.00 0.00 C ATOM 238 CG PHE A 15 -6.898 1.666 3.503 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.835 2.702 3.573 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.529 0.976 4.665 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.407 3.049 4.803 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.101 1.322 5.895 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.039 2.359 5.964 1.00 0.00 C ATOM 244 H PHE A 15 -5.583 -0.068 0.237 1.00 0.00 H ATOM 245 HA PHE A 15 -7.945 -0.034 1.914 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.440 0.637 2.343 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.946 2.187 1.672 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.119 3.235 2.677 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.806 0.176 4.612 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.130 3.849 4.857 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.818 0.790 6.791 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.479 2.627 6.913 1.00 0.00 H ATOM 253 N LYS A 16 -7.629 1.947 -0.640 1.00 0.00 N ATOM 254 CA LYS A 16 -8.375 2.885 -1.514 1.00 0.00 C ATOM 255 C LYS A 16 -9.554 2.143 -2.139 1.00 0.00 C ATOM 256 O LYS A 16 -10.600 2.709 -2.393 1.00 0.00 O ATOM 257 CB LYS A 16 -7.376 3.318 -2.586 1.00 0.00 C ATOM 258 CG LYS A 16 -7.916 4.545 -3.325 1.00 0.00 C ATOM 259 CD LYS A 16 -7.012 5.749 -3.053 1.00 0.00 C ATOM 260 CE LYS A 16 -5.695 5.584 -3.814 1.00 0.00 C ATOM 261 NZ LYS A 16 -4.733 6.474 -3.109 1.00 0.00 N ATOM 262 H LYS A 16 -6.763 1.592 -0.928 1.00 0.00 H ATOM 263 HA LYS A 16 -8.710 3.736 -0.952 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.434 3.564 -2.117 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.230 2.512 -3.287 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.937 4.344 -4.388 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.915 4.763 -2.980 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.507 6.652 -3.380 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.807 5.814 -1.994 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.363 4.555 -3.770 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.810 5.900 -4.838 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -3.776 6.316 -3.483 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -4.748 6.263 -2.090 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.002 7.467 -3.263 1.00 0.00 H ATOM 275 N GLU A 17 -9.396 0.867 -2.369 1.00 0.00 N ATOM 276 CA GLU A 17 -10.505 0.072 -2.956 1.00 0.00 C ATOM 277 C GLU A 17 -11.254 -0.651 -1.837 1.00 0.00 C ATOM 278 O GLU A 17 -12.370 -1.105 -2.003 1.00 0.00 O ATOM 279 CB GLU A 17 -9.833 -0.929 -3.894 1.00 0.00 C ATOM 280 CG GLU A 17 -10.896 -1.846 -4.505 1.00 0.00 C ATOM 281 CD GLU A 17 -11.477 -1.195 -5.761 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.043 -0.105 -6.095 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.347 -1.799 -6.368 1.00 0.00 O ATOM 284 H GLU A 17 -8.551 0.428 -2.142 1.00 0.00 H ATOM 285 HA GLU A 17 -11.166 0.712 -3.506 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.321 -0.394 -4.681 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.123 -1.522 -3.340 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.446 -2.794 -4.765 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.685 -2.008 -3.787 1.00 0.00 H ATOM 290 N ALA A 18 -10.639 -0.749 -0.692 1.00 0.00 N ATOM 291 CA ALA A 18 -11.284 -1.424 0.461 1.00 0.00 C ATOM 292 C ALA A 18 -12.307 -0.484 1.093 1.00 0.00 C ATOM 293 O ALA A 18 -13.223 -0.902 1.772 1.00 0.00 O ATOM 294 CB ALA A 18 -10.134 -1.703 1.429 1.00 0.00 C ATOM 295 H ALA A 18 -9.749 -0.367 -0.588 1.00 0.00 H ATOM 296 HA ALA A 18 -11.744 -2.344 0.151 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.490 -0.837 1.472 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.563 -2.552 1.075 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.523 -1.911 2.410 1.00 0.00 H ATOM 300 N PHE A 19 -12.152 0.789 0.865 1.00 0.00 N ATOM 301 CA PHE A 19 -13.101 1.775 1.437 1.00 0.00 C ATOM 302 C PHE A 19 -13.413 2.862 0.405 1.00 0.00 C ATOM 303 O PHE A 19 -12.751 3.879 0.353 1.00 0.00 O ATOM 304 CB PHE A 19 -12.380 2.365 2.642 1.00 0.00 C ATOM 305 CG PHE A 19 -12.992 1.822 3.911 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.514 0.628 4.463 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.038 2.514 4.536 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.081 0.124 5.639 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.605 2.010 5.713 1.00 0.00 C ATOM 310 CZ PHE A 19 -14.127 0.816 6.265 1.00 0.00 C ATOM 311 H PHE A 19 -11.411 1.098 0.315 1.00 0.00 H ATOM 312 HA PHE A 19 -13.995 1.283 1.750 1.00 0.00 H ATOM 313 HB2 PHE A 19 -11.336 2.096 2.601 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.479 3.439 2.626 1.00 0.00 H ATOM 315 HD1 PHE A 19 -11.707 0.096 3.981 1.00 0.00 H ATOM 316 HD2 PHE A 19 -14.406 3.436 4.109 1.00 0.00 H ATOM 317 HE1 PHE A 19 -12.712 -0.797 6.065 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.412 2.543 6.195 1.00 0.00 H ATOM 319 HZ PHE A 19 -14.564 0.427 7.172 1.00 0.00 H HETATM 320 N NH2 A 20 -14.400 2.685 -0.430 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.605 3.372 -1.098 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.935 1.865 -0.390 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 53 HETATM 1 C ACE A 1 12.206 -0.563 -0.667 1.00 0.00 C HETATM 2 O ACE A 1 11.166 0.055 -0.533 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.277 -0.555 0.414 1.00 0.00 C HETATM 4 H1 ACE A 1 13.850 0.354 0.348 1.00 0.00 H HETATM 5 H2 ACE A 1 13.928 -1.407 0.278 1.00 0.00 H HETATM 6 H3 ACE A 1 12.805 -0.619 1.384 1.00 0.00 H ATOM 7 N ASP A 2 12.424 -1.298 -1.717 1.00 0.00 N ATOM 8 CA ASP A 2 11.395 -1.384 -2.762 1.00 0.00 C ATOM 9 C ASP A 2 10.253 -2.128 -2.119 1.00 0.00 C ATOM 10 O ASP A 2 9.098 -1.863 -2.356 1.00 0.00 O ATOM 11 CB ASP A 2 12.028 -2.189 -3.899 1.00 0.00 C ATOM 12 CG ASP A 2 10.940 -2.682 -4.855 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.274 -1.845 -5.443 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.792 -3.886 -4.984 1.00 0.00 O ATOM 15 H ASP A 2 13.234 -1.824 -1.790 1.00 0.00 H ATOM 16 HA ASP A 2 11.094 -0.405 -3.095 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.723 -1.562 -4.438 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.554 -3.038 -3.488 1.00 0.00 H ATOM 19 N TRP A 3 10.608 -3.036 -1.248 1.00 0.00 N ATOM 20 CA TRP A 3 9.602 -3.809 -0.500 1.00 0.00 C ATOM 21 C TRP A 3 8.840 -2.853 0.438 1.00 0.00 C ATOM 22 O TRP A 3 7.784 -3.168 0.930 1.00 0.00 O ATOM 23 CB TRP A 3 10.420 -4.826 0.319 1.00 0.00 C ATOM 24 CG TRP A 3 10.846 -4.146 1.572 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.479 -2.962 1.601 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.647 -4.542 2.956 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.634 -2.570 2.900 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.171 -3.524 3.785 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.069 -5.667 3.569 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.122 -3.615 5.176 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.022 -5.766 4.970 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.548 -4.742 5.772 1.00 0.00 C ATOM 33 H TRP A 3 11.556 -3.183 -1.065 1.00 0.00 H ATOM 34 HA TRP A 3 8.944 -4.314 -1.169 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.807 -5.684 0.555 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.289 -5.137 -0.240 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.770 -2.386 0.737 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.033 -1.733 3.176 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.660 -6.459 2.960 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.529 -2.823 5.788 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.579 -6.635 5.432 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.509 -4.824 6.849 1.00 0.00 H ATOM 43 N PHE A 4 9.408 -1.693 0.702 1.00 0.00 N ATOM 44 CA PHE A 4 8.769 -0.709 1.619 1.00 0.00 C ATOM 45 C PHE A 4 7.687 0.020 0.855 1.00 0.00 C ATOM 46 O PHE A 4 6.532 0.009 1.222 1.00 0.00 O ATOM 47 CB PHE A 4 9.895 0.244 2.024 1.00 0.00 C ATOM 48 CG PHE A 4 9.717 0.679 3.464 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.798 -0.261 4.501 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.476 2.028 3.763 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.635 0.148 5.833 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.314 2.434 5.094 1.00 0.00 C ATOM 53 CZ PHE A 4 9.393 1.494 6.129 1.00 0.00 C ATOM 54 H PHE A 4 10.268 -1.475 0.299 1.00 0.00 H ATOM 55 HA PHE A 4 8.369 -1.201 2.482 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.843 -0.262 1.916 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.876 1.111 1.383 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.984 -1.300 4.276 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.415 2.754 2.967 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.696 -0.576 6.632 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.128 3.473 5.322 1.00 0.00 H ATOM 62 HZ PHE A 4 9.268 1.808 7.154 1.00 0.00 H ATOM 63 N LYS A 5 8.044 0.614 -0.239 1.00 0.00 N ATOM 64 CA LYS A 5 7.020 1.288 -1.059 1.00 0.00 C ATOM 65 C LYS A 5 6.225 0.202 -1.788 1.00 0.00 C ATOM 66 O LYS A 5 5.222 0.463 -2.421 1.00 0.00 O ATOM 67 CB LYS A 5 7.791 2.167 -2.047 1.00 0.00 C ATOM 68 CG LYS A 5 8.813 3.017 -1.290 1.00 0.00 C ATOM 69 CD LYS A 5 8.084 3.939 -0.309 1.00 0.00 C ATOM 70 CE LYS A 5 9.079 4.927 0.303 1.00 0.00 C ATOM 71 NZ LYS A 5 8.810 6.226 -0.379 1.00 0.00 N ATOM 72 H LYS A 5 8.976 0.579 -0.537 1.00 0.00 H ATOM 73 HA LYS A 5 6.378 1.887 -0.443 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.302 1.542 -2.765 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.101 2.817 -2.563 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.488 2.370 -0.747 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.373 3.615 -1.992 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.311 4.482 -0.834 1.00 0.00 H ATOM 79 HD3 LYS A 5 7.638 3.349 0.478 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.910 5.015 1.368 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.091 4.609 0.107 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.182 6.806 0.214 1.00 0.00 H ATOM 83 HZ2 LYS A 5 8.356 6.048 -1.297 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.706 6.731 -0.526 1.00 0.00 H ATOM 85 N ALA A 6 6.680 -1.029 -1.691 1.00 0.00 N ATOM 86 CA ALA A 6 5.973 -2.151 -2.371 1.00 0.00 C ATOM 87 C ALA A 6 4.822 -2.675 -1.512 1.00 0.00 C ATOM 88 O ALA A 6 3.762 -2.991 -2.009 1.00 0.00 O ATOM 89 CB ALA A 6 7.036 -3.222 -2.546 1.00 0.00 C ATOM 90 H ALA A 6 7.497 -1.217 -1.167 1.00 0.00 H ATOM 91 HA ALA A 6 5.618 -1.838 -3.330 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.645 -3.255 -1.659 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.656 -2.976 -3.399 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.566 -4.180 -2.701 1.00 0.00 H ATOM 95 N PHE A 7 5.014 -2.764 -0.224 1.00 0.00 N ATOM 96 CA PHE A 7 3.922 -3.255 0.649 1.00 0.00 C ATOM 97 C PHE A 7 3.032 -2.082 1.034 1.00 0.00 C ATOM 98 O PHE A 7 1.820 -2.182 1.048 1.00 0.00 O ATOM 99 CB PHE A 7 4.606 -3.908 1.871 1.00 0.00 C ATOM 100 CG PHE A 7 4.915 -2.891 2.960 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.877 -2.235 3.634 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.246 -2.623 3.313 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.165 -1.313 4.645 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.532 -1.703 4.328 1.00 0.00 C ATOM 105 CZ PHE A 7 5.492 -1.048 4.993 1.00 0.00 C ATOM 106 H PHE A 7 5.863 -2.501 0.164 1.00 0.00 H ATOM 107 HA PHE A 7 3.346 -3.987 0.119 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.951 -4.666 2.276 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.527 -4.374 1.551 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.853 -2.437 3.367 1.00 0.00 H ATOM 111 HD2 PHE A 7 7.054 -3.127 2.806 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.361 -0.808 5.160 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.557 -1.499 4.597 1.00 0.00 H ATOM 114 HZ PHE A 7 5.715 -0.338 5.776 1.00 0.00 H ATOM 115 N TYR A 8 3.625 -0.960 1.323 1.00 0.00 N ATOM 116 CA TYR A 8 2.815 0.228 1.677 1.00 0.00 C ATOM 117 C TYR A 8 1.991 0.640 0.462 1.00 0.00 C ATOM 118 O TYR A 8 0.887 1.129 0.582 1.00 0.00 O ATOM 119 CB TYR A 8 3.821 1.312 2.054 1.00 0.00 C ATOM 120 CG TYR A 8 3.247 2.159 3.166 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.871 2.415 3.212 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.090 2.685 4.152 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.338 3.196 4.243 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.556 3.468 5.184 1.00 0.00 C ATOM 125 CZ TYR A 8 2.181 3.722 5.229 1.00 0.00 C ATOM 126 OH TYR A 8 1.656 4.491 6.246 1.00 0.00 O ATOM 127 H TYR A 8 4.597 -0.896 1.290 1.00 0.00 H ATOM 128 HA TYR A 8 2.177 0.010 2.513 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.737 0.846 2.389 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.021 1.932 1.194 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.220 2.008 2.453 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.151 2.488 4.118 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.278 3.393 4.279 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.205 3.875 5.944 1.00 0.00 H ATOM 135 HH TYR A 8 0.930 5.003 5.884 1.00 0.00 H ATOM 136 N ASP A 9 2.514 0.423 -0.715 1.00 0.00 N ATOM 137 CA ASP A 9 1.752 0.776 -1.938 1.00 0.00 C ATOM 138 C ASP A 9 0.629 -0.239 -2.134 1.00 0.00 C ATOM 139 O ASP A 9 -0.509 0.110 -2.373 1.00 0.00 O ATOM 140 CB ASP A 9 2.761 0.691 -3.081 1.00 0.00 C ATOM 141 CG ASP A 9 2.020 0.721 -4.419 1.00 0.00 C ATOM 142 OD1 ASP A 9 0.944 1.294 -4.464 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.540 0.171 -5.374 1.00 0.00 O ATOM 144 H ASP A 9 3.401 0.009 -0.793 1.00 0.00 H ATOM 145 HA ASP A 9 1.359 1.774 -1.861 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.441 1.529 -3.026 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.318 -0.231 -3.001 1.00 0.00 H ATOM 148 N LYS A 10 0.949 -1.500 -2.020 1.00 0.00 N ATOM 149 CA LYS A 10 -0.090 -2.556 -2.182 1.00 0.00 C ATOM 150 C LYS A 10 -1.281 -2.249 -1.273 1.00 0.00 C ATOM 151 O LYS A 10 -2.399 -2.108 -1.725 1.00 0.00 O ATOM 152 CB LYS A 10 0.591 -3.854 -1.754 1.00 0.00 C ATOM 153 CG LYS A 10 0.231 -4.972 -2.736 1.00 0.00 C ATOM 154 CD LYS A 10 -0.036 -6.267 -1.964 1.00 0.00 C ATOM 155 CE LYS A 10 -0.445 -7.372 -2.945 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.392 -8.236 -2.184 1.00 0.00 N ATOM 157 H LYS A 10 1.875 -1.751 -1.819 1.00 0.00 H ATOM 158 HA LYS A 10 -0.403 -2.628 -3.208 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.663 -3.709 -1.750 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.258 -4.124 -0.765 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.652 -4.693 -3.292 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.051 -5.126 -3.420 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.860 -6.566 -1.439 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.833 -6.107 -1.254 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.934 -6.943 -3.808 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.418 -7.945 -3.246 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -1.923 -8.837 -2.846 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -2.056 -7.638 -1.651 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.860 -8.839 -1.525 1.00 0.00 H ATOM 170 N VAL A 11 -1.049 -2.143 0.006 1.00 0.00 N ATOM 171 CA VAL A 11 -2.171 -1.842 0.939 1.00 0.00 C ATOM 172 C VAL A 11 -2.836 -0.516 0.567 1.00 0.00 C ATOM 173 O VAL A 11 -4.038 -0.373 0.655 1.00 0.00 O ATOM 174 CB VAL A 11 -1.541 -1.752 2.331 1.00 0.00 C ATOM 175 CG1 VAL A 11 -1.225 -3.158 2.844 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.251 -0.924 2.267 1.00 0.00 C ATOM 177 H VAL A 11 -0.141 -2.261 0.352 1.00 0.00 H ATOM 178 HA VAL A 11 -2.893 -2.638 0.914 1.00 0.00 H ATOM 179 HB VAL A 11 -2.239 -1.276 3.004 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.140 -3.836 2.007 1.00 0.00 H ATOM 181 HG12 VAL A 11 -2.020 -3.489 3.495 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.294 -3.144 3.392 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.572 -1.509 2.650 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.367 -0.034 2.864 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.050 -0.645 1.244 1.00 0.00 H ATOM 186 N ALA A 12 -2.071 0.456 0.149 1.00 0.00 N ATOM 187 CA ALA A 12 -2.679 1.761 -0.227 1.00 0.00 C ATOM 188 C ALA A 12 -3.713 1.551 -1.324 1.00 0.00 C ATOM 189 O ALA A 12 -4.721 2.225 -1.380 1.00 0.00 O ATOM 190 CB ALA A 12 -1.528 2.618 -0.733 1.00 0.00 C ATOM 191 H ALA A 12 -1.103 0.328 0.082 1.00 0.00 H ATOM 192 HA ALA A 12 -3.131 2.223 0.627 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.601 2.081 -0.614 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.489 3.538 -0.163 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.683 2.846 -1.775 1.00 0.00 H ATOM 196 N GLU A 13 -3.482 0.606 -2.188 1.00 0.00 N ATOM 197 CA GLU A 13 -4.460 0.341 -3.267 1.00 0.00 C ATOM 198 C GLU A 13 -5.665 -0.367 -2.659 1.00 0.00 C ATOM 199 O GLU A 13 -6.775 -0.264 -3.139 1.00 0.00 O ATOM 200 CB GLU A 13 -3.726 -0.568 -4.262 1.00 0.00 C ATOM 201 CG GLU A 13 -4.726 -1.460 -5.008 1.00 0.00 C ATOM 202 CD GLU A 13 -4.226 -1.713 -6.433 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.788 -0.764 -7.061 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.289 -2.850 -6.869 1.00 0.00 O ATOM 205 H GLU A 13 -2.674 0.063 -2.117 1.00 0.00 H ATOM 206 HA GLU A 13 -4.755 1.258 -3.739 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.188 0.041 -4.974 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.026 -1.190 -3.724 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.822 -2.402 -4.487 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.688 -0.971 -5.049 1.00 0.00 H ATOM 211 N LYS A 14 -5.448 -1.077 -1.591 1.00 0.00 N ATOM 212 CA LYS A 14 -6.560 -1.783 -0.944 1.00 0.00 C ATOM 213 C LYS A 14 -7.244 -0.851 0.036 1.00 0.00 C ATOM 214 O LYS A 14 -8.367 -1.053 0.414 1.00 0.00 O ATOM 215 CB LYS A 14 -5.920 -2.971 -0.234 1.00 0.00 C ATOM 216 CG LYS A 14 -6.431 -4.270 -0.857 1.00 0.00 C ATOM 217 CD LYS A 14 -5.252 -5.072 -1.418 1.00 0.00 C ATOM 218 CE LYS A 14 -4.804 -4.474 -2.756 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.362 -5.643 -3.570 1.00 0.00 N ATOM 220 H LYS A 14 -4.558 -1.135 -1.210 1.00 0.00 H ATOM 221 HA LYS A 14 -7.253 -2.122 -1.680 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.846 -2.917 -0.341 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.182 -2.948 0.811 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.938 -4.855 -0.103 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.120 -4.040 -1.657 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.431 -5.039 -0.717 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.556 -6.097 -1.568 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.631 -3.967 -3.237 1.00 0.00 H ATOM 229 HE3 LYS A 14 -3.979 -3.796 -2.608 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.562 -5.462 -4.574 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.874 -6.495 -3.261 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -3.341 -5.788 -3.444 1.00 0.00 H ATOM 233 N PHE A 15 -6.589 0.189 0.436 1.00 0.00 N ATOM 234 CA PHE A 15 -7.243 1.128 1.367 1.00 0.00 C ATOM 235 C PHE A 15 -8.086 2.104 0.561 1.00 0.00 C ATOM 236 O PHE A 15 -9.117 2.577 1.001 1.00 0.00 O ATOM 237 CB PHE A 15 -6.104 1.841 2.095 1.00 0.00 C ATOM 238 CG PHE A 15 -6.081 1.416 3.544 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.846 0.078 3.876 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.294 2.362 4.554 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.822 -0.317 5.219 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.270 1.969 5.897 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.035 0.629 6.230 1.00 0.00 C ATOM 244 H PHE A 15 -5.686 0.363 0.109 1.00 0.00 H ATOM 245 HA PHE A 15 -7.850 0.593 2.058 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.165 1.579 1.630 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.252 2.907 2.035 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.681 -0.651 3.096 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.476 3.397 4.297 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.638 -1.349 5.476 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.434 2.698 6.679 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.017 0.325 7.265 1.00 0.00 H ATOM 253 N LYS A 16 -7.661 2.385 -0.635 1.00 0.00 N ATOM 254 CA LYS A 16 -8.426 3.315 -1.498 1.00 0.00 C ATOM 255 C LYS A 16 -9.543 2.564 -2.216 1.00 0.00 C ATOM 256 O LYS A 16 -10.533 3.142 -2.618 1.00 0.00 O ATOM 257 CB LYS A 16 -7.407 3.853 -2.495 1.00 0.00 C ATOM 258 CG LYS A 16 -7.366 5.380 -2.418 1.00 0.00 C ATOM 259 CD LYS A 16 -8.541 5.964 -3.203 1.00 0.00 C ATOM 260 CE LYS A 16 -8.221 5.941 -4.698 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.133 7.375 -5.092 1.00 0.00 N ATOM 262 H LYS A 16 -6.844 1.968 -0.971 1.00 0.00 H ATOM 263 HA LYS A 16 -8.823 4.117 -0.914 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.433 3.454 -2.257 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.688 3.551 -3.491 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.435 5.689 -1.384 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.439 5.737 -2.841 1.00 0.00 H ATOM 268 HD2 LYS A 16 -9.428 5.376 -3.014 1.00 0.00 H ATOM 269 HD3 LYS A 16 -8.712 6.984 -2.891 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.277 5.441 -4.872 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.015 5.455 -5.245 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.835 7.924 -4.559 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.322 7.466 -6.112 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.182 7.736 -4.880 1.00 0.00 H ATOM 275 N GLU A 17 -9.395 1.277 -2.379 1.00 0.00 N ATOM 276 CA GLU A 17 -10.457 0.501 -3.067 1.00 0.00 C ATOM 277 C GLU A 17 -11.323 -0.216 -2.035 1.00 0.00 C ATOM 278 O GLU A 17 -12.535 -0.211 -2.116 1.00 0.00 O ATOM 279 CB GLU A 17 -9.728 -0.503 -3.958 1.00 0.00 C ATOM 280 CG GLU A 17 -10.243 -0.391 -5.397 1.00 0.00 C ATOM 281 CD GLU A 17 -9.694 0.882 -6.040 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.553 1.218 -5.763 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.421 1.500 -6.801 1.00 0.00 O ATOM 284 H GLU A 17 -8.594 0.827 -2.042 1.00 0.00 H ATOM 285 HA GLU A 17 -11.053 1.152 -3.663 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.673 -0.292 -3.940 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.906 -1.501 -3.592 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.912 -1.250 -5.963 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.322 -0.356 -5.393 1.00 0.00 H ATOM 290 N ALA A 18 -10.712 -0.822 -1.060 1.00 0.00 N ATOM 291 CA ALA A 18 -11.502 -1.527 -0.020 1.00 0.00 C ATOM 292 C ALA A 18 -12.297 -0.508 0.796 1.00 0.00 C ATOM 293 O ALA A 18 -13.326 -0.825 1.359 1.00 0.00 O ATOM 294 CB ALA A 18 -10.471 -2.240 0.855 1.00 0.00 C ATOM 295 H ALA A 18 -9.736 -0.810 -1.008 1.00 0.00 H ATOM 296 HA ALA A 18 -12.159 -2.247 -0.475 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.040 -1.535 1.552 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.688 -2.647 0.227 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.947 -3.039 1.397 1.00 0.00 H ATOM 300 N PHE A 19 -11.838 0.717 0.864 1.00 0.00 N ATOM 301 CA PHE A 19 -12.587 1.737 1.641 1.00 0.00 C ATOM 302 C PHE A 19 -13.001 2.896 0.730 1.00 0.00 C ATOM 303 O PHE A 19 -12.167 3.621 0.225 1.00 0.00 O ATOM 304 CB PHE A 19 -11.618 2.212 2.721 1.00 0.00 C ATOM 305 CG PHE A 19 -11.822 1.394 3.975 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.965 1.588 4.762 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.867 0.442 4.351 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.150 0.828 5.924 1.00 0.00 C ATOM 309 CE2 PHE A 19 -11.053 -0.317 5.513 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.195 -0.124 6.299 1.00 0.00 C ATOM 311 H PHE A 19 -11.008 0.967 0.404 1.00 0.00 H ATOM 312 HA PHE A 19 -13.444 1.291 2.092 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.607 2.090 2.373 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.805 3.253 2.937 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.703 2.322 4.473 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.986 0.292 3.744 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.030 0.977 6.532 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.316 -1.052 5.801 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.338 -0.709 7.196 1.00 0.00 H HETATM 320 N NH2 A 20 -14.269 3.097 0.488 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.544 3.831 -0.102 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -14.944 2.515 0.894 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 54 HETATM 1 C ACE A 1 12.141 -0.733 -0.484 1.00 0.00 C HETATM 2 O ACE A 1 11.102 -0.104 -0.406 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.249 -0.563 0.542 1.00 0.00 C HETATM 4 H1 ACE A 1 14.198 -0.489 0.035 1.00 0.00 H HETATM 5 H2 ACE A 1 13.254 -1.421 1.200 1.00 0.00 H HETATM 6 H3 ACE A 1 13.070 0.330 1.117 1.00 0.00 H ATOM 7 N ASP A 2 12.327 -1.612 -1.421 1.00 0.00 N ATOM 8 CA ASP A 2 11.261 -1.846 -2.399 1.00 0.00 C ATOM 9 C ASP A 2 10.104 -2.430 -1.621 1.00 0.00 C ATOM 10 O ASP A 2 8.969 -2.151 -1.881 1.00 0.00 O ATOM 11 CB ASP A 2 11.826 -2.859 -3.395 1.00 0.00 C ATOM 12 CG ASP A 2 13.205 -2.395 -3.871 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.103 -2.330 -3.047 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.338 -2.113 -5.050 1.00 0.00 O ATOM 15 H ASP A 2 13.138 -2.139 -1.451 1.00 0.00 H ATOM 16 HA ASP A 2 10.982 -0.930 -2.893 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.916 -3.823 -2.915 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.164 -2.938 -4.244 1.00 0.00 H ATOM 19 N TRP A 3 10.420 -3.220 -0.630 1.00 0.00 N ATOM 20 CA TRP A 3 9.370 -3.834 0.221 1.00 0.00 C ATOM 21 C TRP A 3 8.591 -2.734 0.964 1.00 0.00 C ATOM 22 O TRP A 3 7.556 -2.980 1.547 1.00 0.00 O ATOM 23 CB TRP A 3 10.143 -4.712 1.224 1.00 0.00 C ATOM 24 CG TRP A 3 10.638 -3.818 2.307 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.195 -2.622 2.074 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.609 -3.985 3.753 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.458 -2.006 3.261 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.146 -2.813 4.340 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.173 -5.015 4.606 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.245 -2.666 5.723 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.278 -4.873 6.000 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.812 -3.701 6.557 1.00 0.00 C ATOM 33 H TRP A 3 11.358 -3.395 -0.435 1.00 0.00 H ATOM 34 HA TRP A 3 8.719 -4.431 -0.371 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.485 -5.463 1.639 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.978 -5.186 0.732 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.365 -2.196 1.104 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.831 -1.114 3.342 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.761 -5.921 4.187 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.657 -1.762 6.146 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.944 -5.671 6.647 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.888 -3.599 7.629 1.00 0.00 H ATOM 43 N PHE A 4 9.114 -1.534 0.967 1.00 0.00 N ATOM 44 CA PHE A 4 8.447 -0.416 1.688 1.00 0.00 C ATOM 45 C PHE A 4 7.504 0.296 0.735 1.00 0.00 C ATOM 46 O PHE A 4 6.335 0.470 1.008 1.00 0.00 O ATOM 47 CB PHE A 4 9.578 0.513 2.130 1.00 0.00 C ATOM 48 CG PHE A 4 8.994 1.790 2.682 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.303 1.776 3.899 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.145 2.991 1.977 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.761 2.960 4.411 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.604 4.176 2.489 1.00 0.00 C ATOM 53 CZ PHE A 4 7.911 4.161 3.706 1.00 0.00 C ATOM 54 H PHE A 4 9.957 -1.376 0.506 1.00 0.00 H ATOM 55 HA PHE A 4 7.918 -0.789 2.542 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.167 0.025 2.893 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.207 0.743 1.283 1.00 0.00 H ATOM 58 HD1 PHE A 4 8.186 0.850 4.442 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.678 3.002 1.038 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.227 2.949 5.350 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.720 5.102 1.945 1.00 0.00 H ATOM 62 HZ PHE A 4 7.494 5.075 4.101 1.00 0.00 H ATOM 63 N LYS A 5 7.995 0.683 -0.399 1.00 0.00 N ATOM 64 CA LYS A 5 7.111 1.335 -1.380 1.00 0.00 C ATOM 65 C LYS A 5 6.289 0.240 -2.062 1.00 0.00 C ATOM 66 O LYS A 5 5.315 0.502 -2.743 1.00 0.00 O ATOM 67 CB LYS A 5 8.045 2.021 -2.375 1.00 0.00 C ATOM 68 CG LYS A 5 7.221 2.839 -3.371 1.00 0.00 C ATOM 69 CD LYS A 5 7.503 4.329 -3.167 1.00 0.00 C ATOM 70 CE LYS A 5 6.180 5.094 -3.088 1.00 0.00 C ATOM 71 NZ LYS A 5 5.965 5.340 -1.635 1.00 0.00 N ATOM 72 H LYS A 5 8.935 0.515 -0.616 1.00 0.00 H ATOM 73 HA LYS A 5 6.477 2.054 -0.898 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.718 2.676 -1.840 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.614 1.276 -2.907 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.490 2.555 -4.379 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.170 2.648 -3.211 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.056 4.467 -2.248 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.084 4.702 -3.996 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.257 6.030 -3.624 1.00 0.00 H ATOM 81 HE3 LYS A 5 5.375 4.496 -3.485 1.00 0.00 H ATOM 82 HZ1 LYS A 5 5.050 5.814 -1.495 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.729 5.946 -1.270 1.00 0.00 H ATOM 84 HZ3 LYS A 5 5.965 4.434 -1.125 1.00 0.00 H ATOM 85 N ALA A 6 6.678 -1.000 -1.867 1.00 0.00 N ATOM 86 CA ALA A 6 5.930 -2.121 -2.501 1.00 0.00 C ATOM 87 C ALA A 6 4.785 -2.579 -1.603 1.00 0.00 C ATOM 88 O ALA A 6 3.682 -2.801 -2.058 1.00 0.00 O ATOM 89 CB ALA A 6 6.947 -3.243 -2.689 1.00 0.00 C ATOM 90 H ALA A 6 7.463 -1.188 -1.298 1.00 0.00 H ATOM 91 HA ALA A 6 5.556 -1.817 -3.454 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.458 -4.108 -3.105 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.384 -3.495 -1.735 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.723 -2.909 -3.365 1.00 0.00 H ATOM 95 N PHE A 7 5.029 -2.723 -0.332 1.00 0.00 N ATOM 96 CA PHE A 7 3.942 -3.161 0.576 1.00 0.00 C ATOM 97 C PHE A 7 3.038 -1.972 0.900 1.00 0.00 C ATOM 98 O PHE A 7 1.844 -2.114 1.091 1.00 0.00 O ATOM 99 CB PHE A 7 4.651 -3.720 1.825 1.00 0.00 C ATOM 100 CG PHE A 7 4.843 -2.641 2.870 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.669 -1.542 2.607 1.00 0.00 C ATOM 102 CD2 PHE A 7 4.196 -2.745 4.106 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.843 -0.547 3.577 1.00 0.00 C ATOM 104 CE2 PHE A 7 4.369 -1.752 5.077 1.00 0.00 C ATOM 105 CZ PHE A 7 5.193 -0.652 4.813 1.00 0.00 C ATOM 106 H PHE A 7 5.919 -2.542 0.022 1.00 0.00 H ATOM 107 HA PHE A 7 3.371 -3.934 0.101 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.055 -4.516 2.244 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.615 -4.114 1.538 1.00 0.00 H ATOM 110 HD1 PHE A 7 6.172 -1.462 1.656 1.00 0.00 H ATOM 111 HD2 PHE A 7 3.562 -3.593 4.311 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.479 0.301 3.373 1.00 0.00 H ATOM 113 HE2 PHE A 7 3.868 -1.834 6.029 1.00 0.00 H ATOM 114 HZ PHE A 7 5.327 0.115 5.561 1.00 0.00 H ATOM 115 N TYR A 8 3.598 -0.796 0.935 1.00 0.00 N ATOM 116 CA TYR A 8 2.785 0.410 1.218 1.00 0.00 C ATOM 117 C TYR A 8 2.016 0.811 -0.039 1.00 0.00 C ATOM 118 O TYR A 8 0.969 1.422 0.029 1.00 0.00 O ATOM 119 CB TYR A 8 3.790 1.489 1.607 1.00 0.00 C ATOM 120 CG TYR A 8 3.133 2.474 2.544 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.058 3.252 2.098 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.598 2.609 3.857 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.447 4.165 2.967 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.988 3.522 4.725 1.00 0.00 C ATOM 125 CZ TYR A 8 1.913 4.300 4.280 1.00 0.00 C ATOM 126 OH TYR A 8 1.312 5.200 5.136 1.00 0.00 O ATOM 127 H TYR A 8 4.550 -0.706 0.756 1.00 0.00 H ATOM 128 HA TYR A 8 2.114 0.223 2.033 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.632 1.030 2.102 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.125 2.003 0.721 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.698 3.148 1.085 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.428 2.009 4.200 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.618 4.766 2.624 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.348 3.627 5.738 1.00 0.00 H ATOM 135 HH TYR A 8 0.665 5.702 4.634 1.00 0.00 H ATOM 136 N ASP A 9 2.528 0.463 -1.191 1.00 0.00 N ATOM 137 CA ASP A 9 1.821 0.817 -2.449 1.00 0.00 C ATOM 138 C ASP A 9 0.616 -0.106 -2.637 1.00 0.00 C ATOM 139 O ASP A 9 -0.483 0.332 -2.917 1.00 0.00 O ATOM 140 CB ASP A 9 2.849 0.597 -3.560 1.00 0.00 C ATOM 141 CG ASP A 9 2.142 0.586 -4.916 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.356 -0.319 -5.145 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.398 1.484 -5.702 1.00 0.00 O ATOM 144 H ASP A 9 3.372 -0.037 -1.229 1.00 0.00 H ATOM 145 HA ASP A 9 1.514 1.846 -2.428 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.578 1.394 -3.539 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.346 -0.350 -3.408 1.00 0.00 H ATOM 148 N LYS A 10 0.819 -1.386 -2.481 1.00 0.00 N ATOM 149 CA LYS A 10 -0.303 -2.348 -2.645 1.00 0.00 C ATOM 150 C LYS A 10 -1.346 -2.150 -1.541 1.00 0.00 C ATOM 151 O LYS A 10 -2.527 -2.044 -1.808 1.00 0.00 O ATOM 152 CB LYS A 10 0.341 -3.728 -2.530 1.00 0.00 C ATOM 153 CG LYS A 10 0.990 -4.101 -3.864 1.00 0.00 C ATOM 154 CD LYS A 10 -0.099 -4.330 -4.914 1.00 0.00 C ATOM 155 CE LYS A 10 0.310 -5.486 -5.830 1.00 0.00 C ATOM 156 NZ LYS A 10 0.358 -4.896 -7.197 1.00 0.00 N ATOM 157 H LYS A 10 1.711 -1.712 -2.256 1.00 0.00 H ATOM 158 HA LYS A 10 -0.752 -2.236 -3.614 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.091 -3.710 -1.754 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.416 -4.456 -2.285 1.00 0.00 H ATOM 161 HG2 LYS A 10 1.639 -3.298 -4.185 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.567 -5.005 -3.743 1.00 0.00 H ATOM 163 HD2 LYS A 10 -1.029 -4.572 -4.421 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.224 -3.435 -5.504 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.283 -5.864 -5.545 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.426 -6.275 -5.793 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.509 -5.649 -7.896 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.139 -4.210 -7.250 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.541 -4.415 -7.398 1.00 0.00 H ATOM 170 N VAL A 11 -0.926 -2.103 -0.304 1.00 0.00 N ATOM 171 CA VAL A 11 -1.912 -1.918 0.799 1.00 0.00 C ATOM 172 C VAL A 11 -2.714 -0.632 0.586 1.00 0.00 C ATOM 173 O VAL A 11 -3.926 -0.619 0.700 1.00 0.00 O ATOM 174 CB VAL A 11 -1.078 -1.830 2.079 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.309 -3.136 2.279 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.087 -0.669 1.968 1.00 0.00 C ATOM 177 H VAL A 11 0.030 -2.194 -0.101 1.00 0.00 H ATOM 178 HA VAL A 11 -2.573 -2.766 0.852 1.00 0.00 H ATOM 179 HB VAL A 11 -1.733 -1.665 2.922 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.217 -3.649 1.333 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.842 -3.764 2.979 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.675 -2.920 2.668 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.337 -0.651 0.976 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.702 -0.801 2.694 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.600 0.261 2.159 1.00 0.00 H ATOM 186 N ALA A 12 -2.055 0.448 0.270 1.00 0.00 N ATOM 187 CA ALA A 12 -2.791 1.721 0.049 1.00 0.00 C ATOM 188 C ALA A 12 -3.776 1.559 -1.102 1.00 0.00 C ATOM 189 O ALA A 12 -4.788 2.227 -1.163 1.00 0.00 O ATOM 190 CB ALA A 12 -1.724 2.751 -0.291 1.00 0.00 C ATOM 191 H ALA A 12 -1.082 0.422 0.177 1.00 0.00 H ATOM 192 HA ALA A 12 -3.307 2.012 0.940 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.198 3.647 -0.663 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.065 2.349 -1.045 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.159 2.985 0.598 1.00 0.00 H ATOM 196 N GLU A 13 -3.500 0.668 -2.011 1.00 0.00 N ATOM 197 CA GLU A 13 -4.438 0.461 -3.140 1.00 0.00 C ATOM 198 C GLU A 13 -5.694 -0.233 -2.623 1.00 0.00 C ATOM 199 O GLU A 13 -6.785 -0.031 -3.121 1.00 0.00 O ATOM 200 CB GLU A 13 -3.691 -0.433 -4.130 1.00 0.00 C ATOM 201 CG GLU A 13 -4.610 -0.775 -5.303 1.00 0.00 C ATOM 202 CD GLU A 13 -3.855 -1.645 -6.308 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.719 -1.990 -6.026 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.425 -1.951 -7.342 1.00 0.00 O ATOM 205 H GLU A 13 -2.686 0.131 -1.944 1.00 0.00 H ATOM 206 HA GLU A 13 -4.684 1.400 -3.596 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.817 0.087 -4.495 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.388 -1.342 -3.634 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.475 -1.311 -4.937 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.930 0.135 -5.787 1.00 0.00 H ATOM 211 N LYS A 14 -5.549 -1.040 -1.609 1.00 0.00 N ATOM 212 CA LYS A 14 -6.726 -1.734 -1.046 1.00 0.00 C ATOM 213 C LYS A 14 -7.395 -0.835 -0.020 1.00 0.00 C ATOM 214 O LYS A 14 -8.541 -1.013 0.327 1.00 0.00 O ATOM 215 CB LYS A 14 -6.180 -3.003 -0.392 1.00 0.00 C ATOM 216 CG LYS A 14 -5.401 -3.817 -1.428 1.00 0.00 C ATOM 217 CD LYS A 14 -6.346 -4.797 -2.124 1.00 0.00 C ATOM 218 CE LYS A 14 -5.964 -4.912 -3.602 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.260 -5.010 -4.328 1.00 0.00 N ATOM 220 H LYS A 14 -4.671 -1.176 -1.212 1.00 0.00 H ATOM 221 HA LYS A 14 -7.413 -1.983 -1.829 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.524 -2.734 0.423 1.00 0.00 H ATOM 223 HB3 LYS A 14 -7.000 -3.595 -0.016 1.00 0.00 H ATOM 224 HG2 LYS A 14 -4.971 -3.148 -2.160 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.614 -4.368 -0.934 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.268 -5.767 -1.655 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.362 -4.438 -2.044 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.420 -4.032 -3.916 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.377 -5.801 -3.770 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.080 -5.112 -5.347 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.819 -4.150 -4.158 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.787 -5.839 -3.987 1.00 0.00 H ATOM 233 N PHE A 15 -6.696 0.149 0.455 1.00 0.00 N ATOM 234 CA PHE A 15 -7.317 1.064 1.434 1.00 0.00 C ATOM 235 C PHE A 15 -8.162 2.078 0.675 1.00 0.00 C ATOM 236 O PHE A 15 -9.190 2.530 1.140 1.00 0.00 O ATOM 237 CB PHE A 15 -6.155 1.742 2.159 1.00 0.00 C ATOM 238 CG PHE A 15 -6.677 2.903 2.970 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.632 2.686 3.971 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.205 4.197 2.722 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.115 3.762 4.724 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.689 5.275 3.474 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.644 5.057 4.475 1.00 0.00 C ATOM 244 H PHE A 15 -5.777 0.294 0.157 1.00 0.00 H ATOM 245 HA PHE A 15 -7.923 0.511 2.122 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.677 1.030 2.816 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.439 2.102 1.436 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.995 1.686 4.162 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.470 4.365 1.950 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.852 3.595 5.496 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.326 6.274 3.283 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.016 5.888 5.056 1.00 0.00 H ATOM 253 N LYS A 16 -7.741 2.413 -0.511 1.00 0.00 N ATOM 254 CA LYS A 16 -8.511 3.377 -1.330 1.00 0.00 C ATOM 255 C LYS A 16 -9.577 2.622 -2.121 1.00 0.00 C ATOM 256 O LYS A 16 -10.565 3.184 -2.551 1.00 0.00 O ATOM 257 CB LYS A 16 -7.489 4.017 -2.269 1.00 0.00 C ATOM 258 CG LYS A 16 -8.186 5.043 -3.165 1.00 0.00 C ATOM 259 CD LYS A 16 -8.428 4.434 -4.547 1.00 0.00 C ATOM 260 CE LYS A 16 -7.278 4.817 -5.483 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.518 6.249 -5.817 1.00 0.00 N ATOM 262 H LYS A 16 -6.925 2.012 -0.868 1.00 0.00 H ATOM 263 HA LYS A 16 -8.958 4.123 -0.703 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.723 4.510 -1.686 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.037 3.253 -2.883 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.132 5.322 -2.723 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.562 5.919 -3.264 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.479 3.358 -4.462 1.00 0.00 H ATOM 269 HD3 LYS A 16 -9.356 4.809 -4.949 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.329 4.699 -4.977 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.306 4.219 -6.378 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.420 6.341 -6.323 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.744 6.598 -6.419 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.554 6.809 -4.941 1.00 0.00 H ATOM 275 N GLU A 17 -9.384 1.344 -2.302 1.00 0.00 N ATOM 276 CA GLU A 17 -10.382 0.540 -3.049 1.00 0.00 C ATOM 277 C GLU A 17 -11.258 -0.228 -2.064 1.00 0.00 C ATOM 278 O GLU A 17 -12.471 -0.168 -2.111 1.00 0.00 O ATOM 279 CB GLU A 17 -9.563 -0.417 -3.916 1.00 0.00 C ATOM 280 CG GLU A 17 -10.505 -1.329 -4.706 1.00 0.00 C ATOM 281 CD GLU A 17 -9.694 -2.153 -5.709 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.493 -1.674 -6.814 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.289 -3.248 -5.356 1.00 0.00 O ATOM 284 H GLU A 17 -8.587 0.911 -1.937 1.00 0.00 H ATOM 285 HA GLU A 17 -10.980 1.178 -3.662 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.955 0.153 -4.604 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.927 -1.020 -3.287 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.018 -1.992 -4.025 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.227 -0.728 -5.238 1.00 0.00 H ATOM 290 N ALA A 18 -10.646 -0.940 -1.162 1.00 0.00 N ATOM 291 CA ALA A 18 -11.425 -1.702 -0.155 1.00 0.00 C ATOM 292 C ALA A 18 -11.928 -0.749 0.930 1.00 0.00 C ATOM 293 O ALA A 18 -12.823 -1.071 1.684 1.00 0.00 O ATOM 294 CB ALA A 18 -10.431 -2.698 0.433 1.00 0.00 C ATOM 295 H ALA A 18 -9.673 -0.965 -1.143 1.00 0.00 H ATOM 296 HA ALA A 18 -12.241 -2.220 -0.622 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.924 -3.641 0.606 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.047 -2.312 1.366 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.613 -2.840 -0.260 1.00 0.00 H ATOM 300 N PHE A 19 -11.345 0.422 1.006 1.00 0.00 N ATOM 301 CA PHE A 19 -11.761 1.424 2.038 1.00 0.00 C ATOM 302 C PHE A 19 -12.158 0.729 3.343 1.00 0.00 C ATOM 303 O PHE A 19 -13.027 1.191 4.056 1.00 0.00 O ATOM 304 CB PHE A 19 -12.962 2.160 1.433 1.00 0.00 C ATOM 305 CG PHE A 19 -13.985 1.162 0.948 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.820 0.511 1.864 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.097 0.889 -0.419 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.769 -0.413 1.411 1.00 0.00 C ATOM 309 CE2 PHE A 19 -15.045 -0.035 -0.872 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.880 -0.687 0.044 1.00 0.00 C ATOM 311 H PHE A 19 -10.620 0.642 0.378 1.00 0.00 H ATOM 312 HA PHE A 19 -10.962 2.125 2.219 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.408 2.796 2.183 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.629 2.765 0.602 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.733 0.722 2.920 1.00 0.00 H ATOM 316 HD2 PHE A 19 -13.452 1.392 -1.125 1.00 0.00 H ATOM 317 HE1 PHE A 19 -16.413 -0.915 2.116 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.131 -0.247 -1.927 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.611 -1.399 -0.306 1.00 0.00 H HETATM 320 N NH2 A 20 -11.552 -0.373 3.687 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.797 -0.830 4.519 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -10.851 -0.746 3.112 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 55 HETATM 1 C ACE A 1 11.999 -0.998 -0.451 1.00 0.00 C HETATM 2 O ACE A 1 10.987 -0.325 -0.465 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.989 -0.914 0.699 1.00 0.00 C HETATM 4 H1 ACE A 1 13.289 0.111 0.840 1.00 0.00 H HETATM 5 H2 ACE A 1 13.851 -1.521 0.470 1.00 0.00 H HETATM 6 H3 ACE A 1 12.518 -1.282 1.599 1.00 0.00 H ATOM 7 N ASP A 2 12.253 -1.852 -1.394 1.00 0.00 N ATOM 8 CA ASP A 2 11.303 -2.012 -2.504 1.00 0.00 C ATOM 9 C ASP A 2 10.086 -2.667 -1.897 1.00 0.00 C ATOM 10 O ASP A 2 8.963 -2.372 -2.229 1.00 0.00 O ATOM 11 CB ASP A 2 11.995 -2.936 -3.503 1.00 0.00 C ATOM 12 CG ASP A 2 12.429 -4.218 -2.791 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.443 -4.183 -2.114 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.739 -5.213 -2.934 1.00 0.00 O ATOM 15 H ASP A 2 13.039 -2.414 -1.346 1.00 0.00 H ATOM 16 HA ASP A 2 11.062 -1.063 -2.950 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.311 -3.180 -4.303 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.863 -2.440 -3.909 1.00 0.00 H ATOM 19 N TRP A 3 10.341 -3.531 -0.953 1.00 0.00 N ATOM 20 CA TRP A 3 9.254 -4.220 -0.229 1.00 0.00 C ATOM 21 C TRP A 3 8.528 -3.204 0.665 1.00 0.00 C ATOM 22 O TRP A 3 7.406 -3.409 1.076 1.00 0.00 O ATOM 23 CB TRP A 3 9.976 -5.256 0.635 1.00 0.00 C ATOM 24 CG TRP A 3 10.953 -4.502 1.456 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.613 -3.635 2.423 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.405 -4.497 1.386 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.739 -3.038 2.905 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.885 -3.558 2.329 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.342 -5.199 0.608 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.248 -3.315 2.489 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.716 -4.964 0.771 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.169 -4.025 1.710 1.00 0.00 C ATOM 33 H TRP A 3 11.269 -3.704 -0.703 1.00 0.00 H ATOM 34 HA TRP A 3 8.591 -4.695 -0.909 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.268 -5.766 1.272 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.492 -5.965 0.007 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.603 -3.399 2.724 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.742 -2.347 3.585 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.003 -5.925 -0.117 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.591 -2.590 3.211 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.429 -5.510 0.171 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.226 -3.849 1.829 1.00 0.00 H ATOM 43 N PHE A 4 9.187 -2.109 0.979 1.00 0.00 N ATOM 44 CA PHE A 4 8.579 -1.075 1.857 1.00 0.00 C ATOM 45 C PHE A 4 7.598 -0.266 1.038 1.00 0.00 C ATOM 46 O PHE A 4 6.422 -0.213 1.322 1.00 0.00 O ATOM 47 CB PHE A 4 9.748 -0.208 2.312 1.00 0.00 C ATOM 48 CG PHE A 4 9.683 0.015 3.807 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.469 0.360 4.418 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.842 -0.115 4.581 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.420 0.573 5.802 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.791 0.100 5.962 1.00 0.00 C ATOM 53 CZ PHE A 4 9.580 0.444 6.573 1.00 0.00 C ATOM 54 H PHE A 4 10.091 -1.974 0.641 1.00 0.00 H ATOM 55 HA PHE A 4 8.100 -1.529 2.698 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.673 -0.704 2.066 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.703 0.743 1.807 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.572 0.458 3.822 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.777 -0.380 4.108 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.485 0.841 6.274 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.686 0.000 6.558 1.00 0.00 H ATOM 62 HZ PHE A 4 9.541 0.611 7.640 1.00 0.00 H ATOM 63 N LYS A 5 8.073 0.325 -0.013 1.00 0.00 N ATOM 64 CA LYS A 5 7.167 1.081 -0.897 1.00 0.00 C ATOM 65 C LYS A 5 6.292 0.057 -1.628 1.00 0.00 C ATOM 66 O LYS A 5 5.337 0.396 -2.299 1.00 0.00 O ATOM 67 CB LYS A 5 8.102 1.855 -1.847 1.00 0.00 C ATOM 68 CG LYS A 5 7.601 1.808 -3.298 1.00 0.00 C ATOM 69 CD LYS A 5 8.631 2.494 -4.203 1.00 0.00 C ATOM 70 CE LYS A 5 7.946 3.062 -5.449 1.00 0.00 C ATOM 71 NZ LYS A 5 8.736 4.280 -5.793 1.00 0.00 N ATOM 72 H LYS A 5 9.020 0.232 -0.240 1.00 0.00 H ATOM 73 HA LYS A 5 6.562 1.762 -0.321 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.153 2.885 -1.527 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.090 1.423 -1.800 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.475 0.779 -3.602 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.656 2.325 -3.371 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.103 3.299 -3.659 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.380 1.778 -4.503 1.00 0.00 H ATOM 80 HE2 LYS A 5 7.982 2.344 -6.259 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.925 3.333 -5.230 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.158 4.676 -4.928 1.00 0.00 H ATOM 83 HZ2 LYS A 5 8.112 4.987 -6.231 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.493 4.026 -6.459 1.00 0.00 H ATOM 85 N ALA A 6 6.621 -1.209 -1.486 1.00 0.00 N ATOM 86 CA ALA A 6 5.824 -2.268 -2.157 1.00 0.00 C ATOM 87 C ALA A 6 4.556 -2.583 -1.357 1.00 0.00 C ATOM 88 O ALA A 6 3.506 -2.820 -1.919 1.00 0.00 O ATOM 89 CB ALA A 6 6.749 -3.474 -2.195 1.00 0.00 C ATOM 90 H ALA A 6 7.398 -1.465 -0.932 1.00 0.00 H ATOM 91 HA ALA A 6 5.581 -1.973 -3.155 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.386 -3.449 -1.331 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.356 -3.433 -3.088 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.168 -4.381 -2.192 1.00 0.00 H ATOM 95 N PHE A 7 4.639 -2.593 -0.052 1.00 0.00 N ATOM 96 CA PHE A 7 3.427 -2.896 0.749 1.00 0.00 C ATOM 97 C PHE A 7 2.661 -1.606 1.052 1.00 0.00 C ATOM 98 O PHE A 7 1.447 -1.587 1.071 1.00 0.00 O ATOM 99 CB PHE A 7 3.922 -3.614 2.023 1.00 0.00 C ATOM 100 CG PHE A 7 4.545 -2.653 3.019 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.778 -1.643 3.614 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.896 -2.796 3.370 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.357 -0.776 4.547 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.473 -1.929 4.303 1.00 0.00 C ATOM 105 CZ PHE A 7 5.704 -0.920 4.892 1.00 0.00 C ATOM 106 H PHE A 7 5.484 -2.405 0.392 1.00 0.00 H ATOM 107 HA PHE A 7 2.798 -3.559 0.189 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.090 -4.112 2.492 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.659 -4.351 1.741 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.741 -1.530 3.351 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.493 -3.576 2.921 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.763 0.001 5.004 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.515 -2.039 4.569 1.00 0.00 H ATOM 114 HZ PHE A 7 6.151 -0.253 5.613 1.00 0.00 H ATOM 115 N TYR A 8 3.353 -0.522 1.259 1.00 0.00 N ATOM 116 CA TYR A 8 2.651 0.759 1.526 1.00 0.00 C ATOM 117 C TYR A 8 1.960 1.223 0.244 1.00 0.00 C ATOM 118 O TYR A 8 0.941 1.883 0.275 1.00 0.00 O ATOM 119 CB TYR A 8 3.744 1.744 1.937 1.00 0.00 C ATOM 120 CG TYR A 8 3.107 3.015 2.442 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.164 2.958 3.473 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.454 4.247 1.876 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.568 4.134 3.941 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.858 5.424 2.344 1.00 0.00 C ATOM 125 CZ TYR A 8 1.914 5.367 3.376 1.00 0.00 C ATOM 126 OH TYR A 8 1.326 6.526 3.837 1.00 0.00 O ATOM 127 H TYR A 8 4.325 -0.547 1.222 1.00 0.00 H ATOM 128 HA TYR A 8 1.941 0.638 2.322 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.345 1.308 2.720 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.367 1.968 1.085 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.899 2.006 3.909 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.184 4.290 1.082 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.840 4.089 4.737 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.126 6.376 1.907 1.00 0.00 H ATOM 135 HH TYR A 8 1.970 6.996 4.371 1.00 0.00 H ATOM 136 N ASP A 9 2.511 0.865 -0.886 1.00 0.00 N ATOM 137 CA ASP A 9 1.899 1.259 -2.178 1.00 0.00 C ATOM 138 C ASP A 9 0.718 0.340 -2.481 1.00 0.00 C ATOM 139 O ASP A 9 -0.402 0.781 -2.651 1.00 0.00 O ATOM 140 CB ASP A 9 3.010 1.076 -3.211 1.00 0.00 C ATOM 141 CG ASP A 9 2.485 1.426 -4.604 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.394 0.991 -4.933 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.184 2.125 -5.322 1.00 0.00 O ATOM 144 H ASP A 9 3.326 0.326 -0.882 1.00 0.00 H ATOM 145 HA ASP A 9 1.588 2.288 -2.146 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.838 1.724 -2.965 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.342 0.050 -3.201 1.00 0.00 H ATOM 148 N LYS A 10 0.956 -0.941 -2.535 1.00 0.00 N ATOM 149 CA LYS A 10 -0.157 -1.889 -2.808 1.00 0.00 C ATOM 150 C LYS A 10 -1.264 -1.668 -1.776 1.00 0.00 C ATOM 151 O LYS A 10 -2.427 -1.901 -2.034 1.00 0.00 O ATOM 152 CB LYS A 10 0.461 -3.280 -2.658 1.00 0.00 C ATOM 153 CG LYS A 10 -0.609 -4.348 -2.896 1.00 0.00 C ATOM 154 CD LYS A 10 -0.761 -4.590 -4.399 1.00 0.00 C ATOM 155 CE LYS A 10 -1.755 -3.582 -4.977 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.935 -2.685 -5.837 1.00 0.00 N ATOM 157 H LYS A 10 1.861 -1.279 -2.383 1.00 0.00 H ATOM 158 HA LYS A 10 -0.533 -1.752 -3.808 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.256 -3.399 -3.380 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.861 -3.390 -1.662 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.313 -5.267 -2.410 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.552 -4.011 -2.491 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.198 -4.470 -4.884 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.128 -5.593 -4.569 1.00 0.00 H ATOM 165 HE2 LYS A 10 -2.507 -4.089 -5.565 1.00 0.00 H ATOM 166 HE3 LYS A 10 -2.216 -3.013 -4.184 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.043 -2.661 -5.483 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.336 -1.726 -5.817 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.938 -3.042 -6.814 1.00 0.00 H ATOM 170 N VAL A 11 -0.902 -1.207 -0.606 1.00 0.00 N ATOM 171 CA VAL A 11 -1.919 -0.957 0.449 1.00 0.00 C ATOM 172 C VAL A 11 -2.769 0.260 0.081 1.00 0.00 C ATOM 173 O VAL A 11 -3.976 0.248 0.217 1.00 0.00 O ATOM 174 CB VAL A 11 -1.108 -0.715 1.719 1.00 0.00 C ATOM 175 CG1 VAL A 11 -1.837 0.251 2.659 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.890 -2.048 2.435 1.00 0.00 C ATOM 177 H VAL A 11 0.041 -1.024 -0.424 1.00 0.00 H ATOM 178 HA VAL A 11 -2.528 -1.815 0.576 1.00 0.00 H ATOM 179 HB VAL A 11 -0.164 -0.303 1.442 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.460 1.252 2.511 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.668 -0.049 3.683 1.00 0.00 H ATOM 182 HG13 VAL A 11 -2.895 0.230 2.448 1.00 0.00 H ATOM 183 HG21 VAL A 11 -1.139 -2.861 1.768 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.521 -2.093 3.309 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.145 -2.133 2.734 1.00 0.00 H ATOM 186 N ALA A 12 -2.150 1.307 -0.387 1.00 0.00 N ATOM 187 CA ALA A 12 -2.925 2.516 -0.768 1.00 0.00 C ATOM 188 C ALA A 12 -3.942 2.156 -1.842 1.00 0.00 C ATOM 189 O ALA A 12 -5.020 2.714 -1.902 1.00 0.00 O ATOM 190 CB ALA A 12 -1.891 3.505 -1.291 1.00 0.00 C ATOM 191 H ALA A 12 -1.177 1.297 -0.492 1.00 0.00 H ATOM 192 HA ALA A 12 -3.424 2.924 0.086 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.775 3.375 -2.355 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.947 3.328 -0.799 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.222 4.512 -1.082 1.00 0.00 H ATOM 196 N GLU A 13 -3.628 1.205 -2.671 1.00 0.00 N ATOM 197 CA GLU A 13 -4.601 0.796 -3.709 1.00 0.00 C ATOM 198 C GLU A 13 -5.694 -0.026 -3.031 1.00 0.00 C ATOM 199 O GLU A 13 -6.846 -0.027 -3.429 1.00 0.00 O ATOM 200 CB GLU A 13 -3.807 -0.048 -4.701 1.00 0.00 C ATOM 201 CG GLU A 13 -3.168 0.866 -5.750 1.00 0.00 C ATOM 202 CD GLU A 13 -1.653 0.646 -5.770 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.135 0.129 -4.794 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.037 0.999 -6.761 1.00 0.00 O ATOM 205 H GLU A 13 -2.769 0.746 -2.594 1.00 0.00 H ATOM 206 HA GLU A 13 -5.014 1.656 -4.197 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.036 -0.589 -4.173 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.469 -0.745 -5.189 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.578 0.638 -6.723 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.377 1.896 -5.504 1.00 0.00 H ATOM 211 N LYS A 14 -5.334 -0.699 -1.973 1.00 0.00 N ATOM 212 CA LYS A 14 -6.324 -1.501 -1.224 1.00 0.00 C ATOM 213 C LYS A 14 -6.942 -0.627 -0.142 1.00 0.00 C ATOM 214 O LYS A 14 -7.916 -0.984 0.485 1.00 0.00 O ATOM 215 CB LYS A 14 -5.539 -2.662 -0.618 1.00 0.00 C ATOM 216 CG LYS A 14 -6.433 -3.902 -0.552 1.00 0.00 C ATOM 217 CD LYS A 14 -5.767 -5.059 -1.304 1.00 0.00 C ATOM 218 CE LYS A 14 -5.652 -6.271 -0.375 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.170 -7.416 -1.173 1.00 0.00 N ATOM 220 H LYS A 14 -4.414 -0.650 -1.657 1.00 0.00 H ATOM 221 HA LYS A 14 -7.077 -1.864 -1.887 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.678 -2.869 -1.233 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.220 -2.397 0.378 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.582 -4.183 0.481 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.387 -3.684 -1.007 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.364 -5.319 -2.165 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.780 -4.759 -1.625 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.619 -6.436 -0.100 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.259 -6.129 0.505 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.524 -7.609 -1.964 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.112 -7.178 -1.547 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.237 -8.258 -0.568 1.00 0.00 H ATOM 233 N PHE A 15 -6.396 0.534 0.061 1.00 0.00 N ATOM 234 CA PHE A 15 -6.971 1.444 1.067 1.00 0.00 C ATOM 235 C PHE A 15 -8.179 2.117 0.441 1.00 0.00 C ATOM 236 O PHE A 15 -9.202 2.319 1.066 1.00 0.00 O ATOM 237 CB PHE A 15 -5.870 2.456 1.363 1.00 0.00 C ATOM 238 CG PHE A 15 -5.668 2.571 2.853 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.749 2.377 3.720 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.401 2.873 3.368 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.563 2.484 5.105 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.215 2.981 4.751 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.295 2.787 5.620 1.00 0.00 C ATOM 244 H PHE A 15 -5.626 0.817 -0.465 1.00 0.00 H ATOM 245 HA PHE A 15 -7.241 0.908 1.946 1.00 0.00 H ATOM 246 HB2 PHE A 15 -4.951 2.126 0.903 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.150 3.416 0.964 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.725 2.145 3.323 1.00 0.00 H ATOM 249 HD2 PHE A 15 -3.567 3.023 2.700 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.396 2.334 5.776 1.00 0.00 H ATOM 251 HE2 PHE A 15 -3.236 3.214 5.149 1.00 0.00 H ATOM 252 HZ PHE A 15 -5.152 2.869 6.688 1.00 0.00 H ATOM 253 N LYS A 16 -8.063 2.432 -0.816 1.00 0.00 N ATOM 254 CA LYS A 16 -9.194 3.066 -1.532 1.00 0.00 C ATOM 255 C LYS A 16 -10.098 1.977 -2.099 1.00 0.00 C ATOM 256 O LYS A 16 -11.247 2.207 -2.419 1.00 0.00 O ATOM 257 CB LYS A 16 -8.555 3.880 -2.656 1.00 0.00 C ATOM 258 CG LYS A 16 -9.642 4.638 -3.417 1.00 0.00 C ATOM 259 CD LYS A 16 -9.864 6.002 -2.762 1.00 0.00 C ATOM 260 CE LYS A 16 -9.375 7.102 -3.705 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.908 6.874 -3.833 1.00 0.00 N ATOM 262 H LYS A 16 -7.232 2.225 -1.294 1.00 0.00 H ATOM 263 HA LYS A 16 -9.739 3.710 -0.873 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.852 4.582 -2.233 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.039 3.216 -3.333 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.334 4.777 -4.442 1.00 0.00 H ATOM 267 HG3 LYS A 16 -10.563 4.074 -3.390 1.00 0.00 H ATOM 268 HD2 LYS A 16 -10.917 6.140 -2.562 1.00 0.00 H ATOM 269 HD3 LYS A 16 -9.311 6.051 -1.838 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.858 7.012 -4.670 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.562 8.075 -3.278 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.421 7.788 -3.917 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -7.721 6.300 -4.680 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.560 6.374 -2.991 1.00 0.00 H ATOM 275 N GLU A 17 -9.585 0.783 -2.219 1.00 0.00 N ATOM 276 CA GLU A 17 -10.414 -0.324 -2.756 1.00 0.00 C ATOM 277 C GLU A 17 -11.008 -1.129 -1.602 1.00 0.00 C ATOM 278 O GLU A 17 -12.192 -1.399 -1.558 1.00 0.00 O ATOM 279 CB GLU A 17 -9.455 -1.176 -3.586 1.00 0.00 C ATOM 280 CG GLU A 17 -10.256 -2.044 -4.558 1.00 0.00 C ATOM 281 CD GLU A 17 -9.299 -2.907 -5.384 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.197 -3.150 -4.919 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.684 -3.313 -6.468 1.00 0.00 O ATOM 284 H GLU A 17 -8.657 0.616 -1.951 1.00 0.00 H ATOM 285 HA GLU A 17 -11.188 0.068 -3.374 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.793 -0.527 -4.142 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.876 -1.808 -2.932 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.927 -2.682 -4.000 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.828 -1.412 -5.220 1.00 0.00 H ATOM 290 N ALA A 18 -10.188 -1.506 -0.667 1.00 0.00 N ATOM 291 CA ALA A 18 -10.677 -2.285 0.497 1.00 0.00 C ATOM 292 C ALA A 18 -11.281 -1.346 1.540 1.00 0.00 C ATOM 293 O ALA A 18 -11.957 -1.773 2.452 1.00 0.00 O ATOM 294 CB ALA A 18 -9.431 -2.961 1.058 1.00 0.00 C ATOM 295 H ALA A 18 -9.246 -1.274 -0.729 1.00 0.00 H ATOM 296 HA ALA A 18 -11.390 -3.023 0.183 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.076 -2.401 1.912 1.00 0.00 H ATOM 298 HB2 ALA A 18 -8.664 -2.983 0.299 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.671 -3.967 1.360 1.00 0.00 H ATOM 300 N PHE A 19 -11.023 -0.074 1.409 1.00 0.00 N ATOM 301 CA PHE A 19 -11.561 0.924 2.387 1.00 0.00 C ATOM 302 C PHE A 19 -11.278 0.480 3.831 1.00 0.00 C ATOM 303 O PHE A 19 -10.839 -0.627 4.071 1.00 0.00 O ATOM 304 CB PHE A 19 -13.072 1.013 2.095 1.00 0.00 C ATOM 305 CG PHE A 19 -13.852 -0.007 2.900 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.044 0.180 4.274 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.391 -1.137 2.268 1.00 0.00 C ATOM 308 CE1 PHE A 19 -14.770 -0.760 5.016 1.00 0.00 C ATOM 309 CE2 PHE A 19 -15.115 -2.077 3.010 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.305 -1.889 4.384 1.00 0.00 C ATOM 311 H PHE A 19 -10.460 0.229 0.660 1.00 0.00 H ATOM 312 HA PHE A 19 -11.108 1.887 2.209 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.424 2.002 2.347 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.239 0.837 1.042 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.635 1.050 4.763 1.00 0.00 H ATOM 316 HD2 PHE A 19 -14.244 -1.283 1.207 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.917 -0.614 6.076 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.528 -2.948 2.522 1.00 0.00 H ATOM 319 HZ PHE A 19 -15.866 -2.613 4.956 1.00 0.00 H HETATM 320 N NH2 A 20 -11.491 1.316 4.811 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.297 1.048 5.734 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.845 2.210 4.626 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 56 HETATM 1 C ACE A 1 12.326 -1.198 -0.195 1.00 0.00 C HETATM 2 O ACE A 1 11.308 -0.562 0.000 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.295 -1.512 0.936 1.00 0.00 C HETATM 4 H1 ACE A 1 13.885 -0.638 1.155 1.00 0.00 H HETATM 5 H2 ACE A 1 13.941 -2.323 0.635 1.00 0.00 H HETATM 6 H3 ACE A 1 12.735 -1.804 1.812 1.00 0.00 H ATOM 7 N ASP A 2 12.604 -1.674 -1.370 1.00 0.00 N ATOM 8 CA ASP A 2 11.665 -1.435 -2.475 1.00 0.00 C ATOM 9 C ASP A 2 10.377 -2.108 -2.065 1.00 0.00 C ATOM 10 O ASP A 2 9.302 -1.603 -2.271 1.00 0.00 O ATOM 11 CB ASP A 2 12.282 -2.110 -3.697 1.00 0.00 C ATOM 12 CG ASP A 2 11.483 -1.736 -4.946 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.266 -1.766 -4.878 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.104 -1.427 -5.950 1.00 0.00 O ATOM 15 H ASP A 2 13.392 -2.217 -1.508 1.00 0.00 H ATOM 16 HA ASP A 2 11.525 -0.384 -2.644 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.306 -1.779 -3.810 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.260 -3.180 -3.565 1.00 0.00 H ATOM 19 N TRP A 3 10.520 -3.240 -1.428 1.00 0.00 N ATOM 20 CA TRP A 3 9.351 -4.001 -0.925 1.00 0.00 C ATOM 21 C TRP A 3 8.665 -3.198 0.188 1.00 0.00 C ATOM 22 O TRP A 3 7.529 -3.435 0.534 1.00 0.00 O ATOM 23 CB TRP A 3 9.959 -5.279 -0.345 1.00 0.00 C ATOM 24 CG TRP A 3 10.980 -4.854 0.641 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.701 -4.206 1.784 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.425 -5.000 0.592 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.868 -3.888 2.413 1.00 0.00 N ATOM 28 CE2 TRP A 3 12.969 -4.380 1.740 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.309 -5.596 -0.326 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.342 -4.347 1.970 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.693 -5.570 -0.095 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.209 -4.946 1.051 1.00 0.00 C ATOM 33 H TRP A 3 11.419 -3.580 -1.256 1.00 0.00 H ATOM 34 HA TRP A 3 8.683 -4.235 -1.716 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.191 -5.863 0.142 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.423 -5.857 -1.129 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.714 -3.934 2.125 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.921 -3.388 3.239 1.00 0.00 H ATOM 39 HE3 TRP A 3 12.920 -6.077 -1.212 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.733 -3.865 2.855 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.364 -6.032 -0.803 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.273 -4.930 1.223 1.00 0.00 H ATOM 43 N PHE A 4 9.369 -2.255 0.762 1.00 0.00 N ATOM 44 CA PHE A 4 8.789 -1.448 1.863 1.00 0.00 C ATOM 45 C PHE A 4 7.842 -0.436 1.267 1.00 0.00 C ATOM 46 O PHE A 4 6.648 -0.474 1.484 1.00 0.00 O ATOM 47 CB PHE A 4 9.979 -0.758 2.516 1.00 0.00 C ATOM 48 CG PHE A 4 10.110 -1.217 3.946 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.966 -1.413 4.726 1.00 0.00 C ATOM 50 CD2 PHE A 4 11.378 -1.446 4.490 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.089 -1.838 6.054 1.00 0.00 C ATOM 52 CE2 PHE A 4 11.503 -1.872 5.818 1.00 0.00 C ATOM 53 CZ PHE A 4 10.359 -2.067 6.600 1.00 0.00 C ATOM 54 H PHE A 4 10.283 -2.084 0.473 1.00 0.00 H ATOM 55 HA PHE A 4 8.289 -2.076 2.571 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.877 -1.010 1.975 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.829 0.310 2.493 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.987 -1.236 4.305 1.00 0.00 H ATOM 59 HD2 PHE A 4 12.261 -1.296 3.886 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.206 -1.990 6.657 1.00 0.00 H ATOM 61 HE2 PHE A 4 12.482 -2.049 6.238 1.00 0.00 H ATOM 62 HZ PHE A 4 10.455 -2.395 7.625 1.00 0.00 H ATOM 63 N LYS A 5 8.362 0.441 0.469 1.00 0.00 N ATOM 64 CA LYS A 5 7.474 1.416 -0.190 1.00 0.00 C ATOM 65 C LYS A 5 6.605 0.638 -1.169 1.00 0.00 C ATOM 66 O LYS A 5 5.604 1.123 -1.661 1.00 0.00 O ATOM 67 CB LYS A 5 8.390 2.402 -0.913 1.00 0.00 C ATOM 68 CG LYS A 5 9.144 1.684 -2.030 1.00 0.00 C ATOM 69 CD LYS A 5 10.579 2.212 -2.091 1.00 0.00 C ATOM 70 CE LYS A 5 10.719 3.192 -3.257 1.00 0.00 C ATOM 71 NZ LYS A 5 11.103 2.348 -4.421 1.00 0.00 N ATOM 72 H LYS A 5 9.324 0.423 0.273 1.00 0.00 H ATOM 73 HA LYS A 5 6.868 1.926 0.539 1.00 0.00 H ATOM 74 HB2 LYS A 5 7.796 3.200 -1.333 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.098 2.813 -0.211 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.156 0.623 -1.831 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.652 1.870 -2.973 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.814 2.717 -1.165 1.00 0.00 H ATOM 79 HD3 LYS A 5 11.259 1.387 -2.233 1.00 0.00 H ATOM 80 HE2 LYS A 5 9.776 3.691 -3.444 1.00 0.00 H ATOM 81 HE3 LYS A 5 11.494 3.914 -3.052 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.262 1.858 -4.787 1.00 0.00 H ATOM 83 HZ2 LYS A 5 11.811 1.648 -4.122 1.00 0.00 H ATOM 84 HZ3 LYS A 5 11.504 2.950 -5.169 1.00 0.00 H ATOM 85 N ALA A 6 6.972 -0.596 -1.427 1.00 0.00 N ATOM 86 CA ALA A 6 6.157 -1.431 -2.345 1.00 0.00 C ATOM 87 C ALA A 6 4.978 -2.001 -1.562 1.00 0.00 C ATOM 88 O ALA A 6 3.971 -2.389 -2.118 1.00 0.00 O ATOM 89 CB ALA A 6 7.091 -2.535 -2.804 1.00 0.00 C ATOM 90 H ALA A 6 7.777 -0.980 -0.995 1.00 0.00 H ATOM 91 HA ALA A 6 5.827 -0.857 -3.183 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.672 -2.862 -1.965 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.752 -2.151 -3.569 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.521 -3.359 -3.196 1.00 0.00 H ATOM 95 N PHE A 7 5.104 -2.026 -0.260 1.00 0.00 N ATOM 96 CA PHE A 7 4.009 -2.534 0.598 1.00 0.00 C ATOM 97 C PHE A 7 2.980 -1.423 0.794 1.00 0.00 C ATOM 98 O PHE A 7 1.808 -1.592 0.529 1.00 0.00 O ATOM 99 CB PHE A 7 4.671 -2.880 1.930 1.00 0.00 C ATOM 100 CG PHE A 7 5.090 -4.332 1.955 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.518 -4.967 0.784 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.066 -5.039 3.165 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.919 -6.308 0.822 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.468 -6.379 3.202 1.00 0.00 C ATOM 105 CZ PHE A 7 5.895 -7.013 2.031 1.00 0.00 C ATOM 106 H PHE A 7 5.921 -1.693 0.154 1.00 0.00 H ATOM 107 HA PHE A 7 3.561 -3.402 0.166 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.543 -2.258 2.063 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.973 -2.695 2.731 1.00 0.00 H ATOM 110 HD1 PHE A 7 5.537 -4.425 -0.149 1.00 0.00 H ATOM 111 HD2 PHE A 7 4.736 -4.550 4.070 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.252 -6.798 -0.082 1.00 0.00 H ATOM 113 HE2 PHE A 7 5.452 -6.921 4.135 1.00 0.00 H ATOM 114 HZ PHE A 7 6.205 -8.047 2.059 1.00 0.00 H ATOM 115 N TYR A 8 3.421 -0.279 1.247 1.00 0.00 N ATOM 116 CA TYR A 8 2.477 0.852 1.447 1.00 0.00 C ATOM 117 C TYR A 8 1.812 1.184 0.109 1.00 0.00 C ATOM 118 O TYR A 8 0.698 1.665 0.057 1.00 0.00 O ATOM 119 CB TYR A 8 3.347 2.010 1.981 1.00 0.00 C ATOM 120 CG TYR A 8 3.383 3.175 1.009 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.416 4.186 1.089 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.385 3.241 0.033 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.453 5.263 0.195 1.00 0.00 C ATOM 124 CE2 TYR A 8 4.421 4.318 -0.862 1.00 0.00 C ATOM 125 CZ TYR A 8 3.456 5.328 -0.780 1.00 0.00 C ATOM 126 OH TYR A 8 3.492 6.390 -1.661 1.00 0.00 O ATOM 127 H TYR A 8 4.372 -0.163 1.445 1.00 0.00 H ATOM 128 HA TYR A 8 1.732 0.583 2.176 1.00 0.00 H ATOM 129 HB2 TYR A 8 2.941 2.350 2.920 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.353 1.650 2.140 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.645 4.136 1.842 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.130 2.461 -0.031 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.708 6.043 0.257 1.00 0.00 H ATOM 134 HE2 TYR A 8 5.194 4.370 -1.615 1.00 0.00 H ATOM 135 HH TYR A 8 4.314 6.868 -1.517 1.00 0.00 H ATOM 136 N ASP A 9 2.490 0.914 -0.971 1.00 0.00 N ATOM 137 CA ASP A 9 1.902 1.197 -2.305 1.00 0.00 C ATOM 138 C ASP A 9 0.756 0.221 -2.577 1.00 0.00 C ATOM 139 O ASP A 9 -0.377 0.610 -2.786 1.00 0.00 O ATOM 140 CB ASP A 9 3.047 0.977 -3.295 1.00 0.00 C ATOM 141 CG ASP A 9 2.504 1.052 -4.723 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.993 2.099 -5.085 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.605 0.061 -5.427 1.00 0.00 O ATOM 144 H ASP A 9 3.383 0.517 -0.903 1.00 0.00 H ATOM 145 HA ASP A 9 1.559 2.215 -2.355 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.799 1.741 -3.152 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.485 0.005 -3.128 1.00 0.00 H ATOM 148 N LYS A 10 1.047 -1.052 -2.565 1.00 0.00 N ATOM 149 CA LYS A 10 -0.012 -2.069 -2.810 1.00 0.00 C ATOM 150 C LYS A 10 -1.168 -1.866 -1.824 1.00 0.00 C ATOM 151 O LYS A 10 -2.296 -1.630 -2.212 1.00 0.00 O ATOM 152 CB LYS A 10 0.683 -3.419 -2.580 1.00 0.00 C ATOM 153 CG LYS A 10 -0.315 -4.456 -2.046 1.00 0.00 C ATOM 154 CD LYS A 10 0.264 -5.864 -2.215 1.00 0.00 C ATOM 155 CE LYS A 10 0.431 -6.521 -0.841 1.00 0.00 C ATOM 156 NZ LYS A 10 1.893 -6.463 -0.558 1.00 0.00 N ATOM 157 H LYS A 10 1.966 -1.340 -2.386 1.00 0.00 H ATOM 158 HA LYS A 10 -0.365 -2.004 -3.827 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.095 -3.769 -3.515 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.480 -3.291 -1.864 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.500 -4.268 -0.998 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.242 -4.382 -2.594 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.410 -6.457 -2.818 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.224 -5.803 -2.703 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.121 -5.971 -0.090 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.102 -7.548 -0.872 1.00 0.00 H ATOM 167 HZ1 LYS A 10 2.155 -5.495 -0.283 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.421 -6.739 -1.411 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.123 -7.115 0.219 1.00 0.00 H ATOM 170 N VAL A 11 -0.898 -1.958 -0.550 1.00 0.00 N ATOM 171 CA VAL A 11 -1.986 -1.771 0.445 1.00 0.00 C ATOM 172 C VAL A 11 -2.808 -0.541 0.068 1.00 0.00 C ATOM 173 O VAL A 11 -4.020 -0.567 0.078 1.00 0.00 O ATOM 174 CB VAL A 11 -1.285 -1.568 1.789 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.373 -2.762 2.080 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.446 -0.292 1.746 1.00 0.00 C ATOM 177 H VAL A 11 0.017 -2.147 -0.251 1.00 0.00 H ATOM 178 HA VAL A 11 -2.616 -2.645 0.482 1.00 0.00 H ATOM 179 HB VAL A 11 -2.027 -1.482 2.565 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.521 -3.522 1.326 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.613 -3.170 3.052 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.657 -2.439 2.069 1.00 0.00 H ATOM 183 HG21 VAL A 11 -1.098 0.566 1.689 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.197 -0.314 0.880 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.155 -0.230 2.641 1.00 0.00 H ATOM 186 N ALA A 12 -2.155 0.530 -0.279 1.00 0.00 N ATOM 187 CA ALA A 12 -2.898 1.757 -0.672 1.00 0.00 C ATOM 188 C ALA A 12 -3.920 1.415 -1.746 1.00 0.00 C ATOM 189 O ALA A 12 -4.999 1.972 -1.786 1.00 0.00 O ATOM 190 CB ALA A 12 -1.838 2.710 -1.207 1.00 0.00 C ATOM 191 H ALA A 12 -1.178 0.524 -0.288 1.00 0.00 H ATOM 192 HA ALA A 12 -3.389 2.192 0.174 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.900 2.185 -1.298 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.725 3.539 -0.524 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.142 3.079 -2.174 1.00 0.00 H ATOM 196 N GLU A 13 -3.609 0.490 -2.604 1.00 0.00 N ATOM 197 CA GLU A 13 -4.595 0.113 -3.642 1.00 0.00 C ATOM 198 C GLU A 13 -5.785 -0.549 -2.952 1.00 0.00 C ATOM 199 O GLU A 13 -6.926 -0.414 -3.364 1.00 0.00 O ATOM 200 CB GLU A 13 -3.871 -0.873 -4.557 1.00 0.00 C ATOM 201 CG GLU A 13 -4.753 -1.181 -5.769 1.00 0.00 C ATOM 202 CD GLU A 13 -5.713 -2.322 -5.429 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.556 -2.905 -4.368 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.589 -2.593 -6.234 1.00 0.00 O ATOM 205 H GLU A 13 -2.743 0.034 -2.553 1.00 0.00 H ATOM 206 HA GLU A 13 -4.906 0.979 -4.194 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.940 -0.436 -4.890 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.671 -1.785 -4.019 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.319 -0.300 -6.035 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.131 -1.474 -6.602 1.00 0.00 H ATOM 211 N LYS A 14 -5.528 -1.238 -1.873 1.00 0.00 N ATOM 212 CA LYS A 14 -6.624 -1.881 -1.132 1.00 0.00 C ATOM 213 C LYS A 14 -7.246 -0.849 -0.217 1.00 0.00 C ATOM 214 O LYS A 14 -8.371 -0.974 0.189 1.00 0.00 O ATOM 215 CB LYS A 14 -5.974 -3.007 -0.331 1.00 0.00 C ATOM 216 CG LYS A 14 -7.047 -4.000 0.119 1.00 0.00 C ATOM 217 CD LYS A 14 -7.349 -4.972 -1.024 1.00 0.00 C ATOM 218 CE LYS A 14 -7.870 -6.294 -0.452 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.502 -7.322 -1.467 1.00 0.00 N ATOM 220 H LYS A 14 -4.619 -1.306 -1.536 1.00 0.00 H ATOM 221 HA LYS A 14 -7.351 -2.276 -1.810 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.250 -3.515 -0.952 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.481 -2.594 0.535 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.691 -4.551 0.979 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.947 -3.465 0.383 1.00 0.00 H ATOM 226 HD2 LYS A 14 -8.097 -4.540 -1.673 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.448 -5.156 -1.587 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.393 -6.509 0.493 1.00 0.00 H ATOM 229 HE3 LYS A 14 -8.942 -6.258 -0.335 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.221 -8.199 -0.986 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.711 -6.973 -2.045 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -8.320 -7.513 -2.079 1.00 0.00 H ATOM 233 N PHE A 15 -6.527 0.192 0.087 1.00 0.00 N ATOM 234 CA PHE A 15 -7.102 1.243 0.954 1.00 0.00 C ATOM 235 C PHE A 15 -8.201 1.944 0.174 1.00 0.00 C ATOM 236 O PHE A 15 -9.230 2.311 0.705 1.00 0.00 O ATOM 237 CB PHE A 15 -5.955 2.196 1.264 1.00 0.00 C ATOM 238 CG PHE A 15 -5.292 1.790 2.559 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.119 0.435 2.867 1.00 0.00 C ATOM 240 CD2 PHE A 15 -4.851 2.773 3.454 1.00 0.00 C ATOM 241 CE1 PHE A 15 -4.505 0.064 4.070 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.239 2.402 4.655 1.00 0.00 C ATOM 243 CZ PHE A 15 -4.066 1.048 4.965 1.00 0.00 C ATOM 244 H PHE A 15 -5.625 0.289 -0.270 1.00 0.00 H ATOM 245 HA PHE A 15 -7.491 0.815 1.852 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.233 2.159 0.462 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.340 3.199 1.357 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.457 -0.324 2.177 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.984 3.817 3.216 1.00 0.00 H ATOM 250 HE1 PHE A 15 -4.373 -0.982 4.309 1.00 0.00 H ATOM 251 HE2 PHE A 15 -3.901 3.160 5.346 1.00 0.00 H ATOM 252 HZ PHE A 15 -3.594 0.762 5.893 1.00 0.00 H ATOM 253 N LYS A 16 -7.990 2.104 -1.099 1.00 0.00 N ATOM 254 CA LYS A 16 -9.020 2.748 -1.947 1.00 0.00 C ATOM 255 C LYS A 16 -10.108 1.727 -2.272 1.00 0.00 C ATOM 256 O LYS A 16 -11.240 2.075 -2.545 1.00 0.00 O ATOM 257 CB LYS A 16 -8.291 3.181 -3.214 1.00 0.00 C ATOM 258 CG LYS A 16 -7.628 4.538 -2.977 1.00 0.00 C ATOM 259 CD LYS A 16 -6.602 4.803 -4.076 1.00 0.00 C ATOM 260 CE LYS A 16 -5.194 4.617 -3.510 1.00 0.00 C ATOM 261 NZ LYS A 16 -4.534 5.944 -3.667 1.00 0.00 N ATOM 262 H LYS A 16 -7.158 1.778 -1.499 1.00 0.00 H ATOM 263 HA LYS A 16 -9.432 3.602 -1.449 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.540 2.449 -3.465 1.00 0.00 H ATOM 265 HB3 LYS A 16 -9.000 3.267 -4.023 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.382 5.312 -2.991 1.00 0.00 H ATOM 267 HG3 LYS A 16 -7.134 4.534 -2.018 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.760 4.111 -4.891 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.714 5.814 -4.435 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.243 4.340 -2.466 1.00 0.00 H ATOM 271 HE3 LYS A 16 -4.658 3.870 -4.074 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -4.972 6.459 -4.457 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -3.522 5.806 -3.863 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -4.647 6.494 -2.792 1.00 0.00 H ATOM 275 N GLU A 17 -9.773 0.463 -2.238 1.00 0.00 N ATOM 276 CA GLU A 17 -10.788 -0.580 -2.539 1.00 0.00 C ATOM 277 C GLU A 17 -11.350 -1.163 -1.241 1.00 0.00 C ATOM 278 O GLU A 17 -12.317 -1.897 -1.240 1.00 0.00 O ATOM 279 CB GLU A 17 -10.045 -1.647 -3.337 1.00 0.00 C ATOM 280 CG GLU A 17 -10.910 -2.114 -4.512 1.00 0.00 C ATOM 281 CD GLU A 17 -12.340 -2.377 -4.032 1.00 0.00 C ATOM 282 OE1 GLU A 17 -12.510 -3.220 -3.165 1.00 0.00 O ATOM 283 OE2 GLU A 17 -13.241 -1.731 -4.541 1.00 0.00 O ATOM 284 H GLU A 17 -8.854 0.202 -2.011 1.00 0.00 H ATOM 285 HA GLU A 17 -11.574 -0.163 -3.128 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.122 -1.232 -3.714 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.829 -2.489 -2.698 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.921 -1.349 -5.276 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.499 -3.024 -4.921 1.00 0.00 H ATOM 290 N ALA A 18 -10.749 -0.830 -0.138 1.00 0.00 N ATOM 291 CA ALA A 18 -11.230 -1.336 1.169 1.00 0.00 C ATOM 292 C ALA A 18 -12.028 -0.236 1.867 1.00 0.00 C ATOM 293 O ALA A 18 -12.825 -0.501 2.744 1.00 0.00 O ATOM 294 CB ALA A 18 -9.960 -1.678 1.948 1.00 0.00 C ATOM 295 H ALA A 18 -9.985 -0.232 -0.167 1.00 0.00 H ATOM 296 HA ALA A 18 -11.829 -2.212 1.028 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.221 -2.058 2.922 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.352 -0.789 2.058 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.397 -2.427 1.406 1.00 0.00 H ATOM 300 N PHE A 19 -11.802 0.991 1.455 1.00 0.00 N ATOM 301 CA PHE A 19 -12.513 2.176 2.041 1.00 0.00 C ATOM 302 C PHE A 19 -13.213 1.834 3.361 1.00 0.00 C ATOM 303 O PHE A 19 -14.416 1.949 3.477 1.00 0.00 O ATOM 304 CB PHE A 19 -13.537 2.572 0.979 1.00 0.00 C ATOM 305 CG PHE A 19 -14.555 1.471 0.827 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.210 0.284 0.171 1.00 0.00 C ATOM 307 CD2 PHE A 19 -15.844 1.637 1.344 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.155 -0.738 0.032 1.00 0.00 C ATOM 309 CE2 PHE A 19 -16.790 0.617 1.204 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.445 -0.571 0.549 1.00 0.00 C ATOM 311 H PHE A 19 -11.152 1.134 0.735 1.00 0.00 H ATOM 312 HA PHE A 19 -11.819 2.986 2.189 1.00 0.00 H ATOM 313 HB2 PHE A 19 -14.035 3.483 1.277 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.035 2.729 0.035 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.213 0.159 -0.227 1.00 0.00 H ATOM 316 HD2 PHE A 19 -16.109 2.554 1.849 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.888 -1.655 -0.475 1.00 0.00 H ATOM 318 HE2 PHE A 19 -17.786 0.745 1.603 1.00 0.00 H ATOM 319 HZ PHE A 19 -17.175 -1.359 0.442 1.00 0.00 H HETATM 320 N NH2 A 20 -12.501 1.413 4.371 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.939 1.192 5.220 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.530 1.320 4.282 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 57 HETATM 1 C ACE A 1 12.317 -1.296 -0.563 1.00 0.00 C HETATM 2 O ACE A 1 11.368 -0.611 -0.238 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.297 -1.833 0.471 1.00 0.00 C HETATM 4 H1 ACE A 1 13.909 -2.599 0.015 1.00 0.00 H HETATM 5 H2 ACE A 1 12.745 -2.256 1.297 1.00 0.00 H HETATM 6 H3 ACE A 1 13.921 -1.031 0.825 1.00 0.00 H ATOM 7 N ASP A 2 12.508 -1.641 -1.802 1.00 0.00 N ATOM 8 CA ASP A 2 11.557 -1.194 -2.830 1.00 0.00 C ATOM 9 C ASP A 2 10.276 -1.931 -2.531 1.00 0.00 C ATOM 10 O ASP A 2 9.192 -1.427 -2.703 1.00 0.00 O ATOM 11 CB ASP A 2 12.150 -1.630 -4.168 1.00 0.00 C ATOM 12 CG ASP A 2 11.675 -0.684 -5.273 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.262 0.416 -4.947 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.730 -1.079 -6.426 1.00 0.00 O ATOM 15 H ASP A 2 13.240 -2.226 -2.041 1.00 0.00 H ATOM 16 HA ASP A 2 11.422 -0.130 -2.797 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.229 -1.599 -4.107 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.828 -2.633 -4.391 1.00 0.00 H ATOM 19 N TRP A 3 10.428 -3.131 -2.034 1.00 0.00 N ATOM 20 CA TRP A 3 9.266 -3.959 -1.656 1.00 0.00 C ATOM 21 C TRP A 3 8.607 -3.359 -0.394 1.00 0.00 C ATOM 22 O TRP A 3 7.472 -3.647 -0.072 1.00 0.00 O ATOM 23 CB TRP A 3 9.856 -5.349 -1.363 1.00 0.00 C ATOM 24 CG TRP A 3 10.338 -5.358 0.043 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.129 -4.406 0.566 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.062 -6.302 1.112 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.327 -4.669 1.891 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.712 -5.842 2.279 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.321 -7.493 1.188 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.629 -6.536 3.483 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.239 -8.200 2.400 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.893 -7.723 3.545 1.00 0.00 C ATOM 33 H TRP A 3 11.330 -3.479 -1.891 1.00 0.00 H ATOM 34 HA TRP A 3 8.576 -4.016 -2.464 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.096 -6.104 -1.493 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.683 -5.543 -2.032 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.517 -3.551 0.038 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.844 -4.110 2.489 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.814 -7.867 0.311 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.138 -6.161 4.359 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.669 -9.117 2.450 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.827 -8.270 4.473 1.00 0.00 H ATOM 43 N PHE A 4 9.330 -2.529 0.321 1.00 0.00 N ATOM 44 CA PHE A 4 8.781 -1.913 1.556 1.00 0.00 C ATOM 45 C PHE A 4 7.892 -0.760 1.150 1.00 0.00 C ATOM 46 O PHE A 4 6.702 -0.766 1.385 1.00 0.00 O ATOM 47 CB PHE A 4 9.998 -1.427 2.334 1.00 0.00 C ATOM 48 CG PHE A 4 9.834 -1.778 3.793 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.787 -3.122 4.191 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.730 -0.761 4.747 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.639 -3.445 5.546 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.581 -1.084 6.102 1.00 0.00 C ATOM 53 CZ PHE A 4 9.536 -2.425 6.502 1.00 0.00 C ATOM 54 H PHE A 4 10.236 -2.309 0.044 1.00 0.00 H ATOM 55 HA PHE A 4 8.239 -2.636 2.129 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.885 -1.904 1.946 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.087 -0.357 2.231 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.866 -3.906 3.454 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.766 0.272 4.439 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.601 -4.479 5.855 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.502 -0.298 6.838 1.00 0.00 H ATOM 62 HZ PHE A 4 9.421 -2.674 7.546 1.00 0.00 H ATOM 63 N LYS A 5 8.447 0.206 0.481 1.00 0.00 N ATOM 64 CA LYS A 5 7.601 1.315 -0.003 1.00 0.00 C ATOM 65 C LYS A 5 6.635 0.722 -1.022 1.00 0.00 C ATOM 66 O LYS A 5 5.637 1.318 -1.380 1.00 0.00 O ATOM 67 CB LYS A 5 8.554 2.314 -0.650 1.00 0.00 C ATOM 68 CG LYS A 5 8.228 3.728 -0.157 1.00 0.00 C ATOM 69 CD LYS A 5 8.455 3.815 1.355 1.00 0.00 C ATOM 70 CE LYS A 5 9.670 4.702 1.637 1.00 0.00 C ATOM 71 NZ LYS A 5 9.102 5.989 2.127 1.00 0.00 N ATOM 72 H LYS A 5 9.399 0.167 0.255 1.00 0.00 H ATOM 73 HA LYS A 5 7.069 1.770 0.808 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.569 2.063 -0.384 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.440 2.275 -1.722 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.868 4.440 -0.658 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.196 3.956 -0.376 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.582 4.242 1.826 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.632 2.828 1.753 1.00 0.00 H ATOM 80 HE2 LYS A 5 10.296 4.252 2.395 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.233 4.868 0.731 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.752 5.868 3.098 1.00 0.00 H ATOM 83 HZ2 LYS A 5 8.315 6.278 1.508 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.838 6.722 2.114 1.00 0.00 H ATOM 85 N ALA A 6 6.920 -0.482 -1.466 1.00 0.00 N ATOM 86 CA ALA A 6 6.019 -1.156 -2.430 1.00 0.00 C ATOM 87 C ALA A 6 4.850 -1.752 -1.658 1.00 0.00 C ATOM 88 O ALA A 6 3.797 -2.013 -2.200 1.00 0.00 O ATOM 89 CB ALA A 6 6.870 -2.241 -3.062 1.00 0.00 C ATOM 90 H ALA A 6 7.724 -0.956 -1.140 1.00 0.00 H ATOM 91 HA ALA A 6 5.675 -0.473 -3.173 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.477 -1.811 -3.847 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.238 -3.010 -3.469 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.508 -2.655 -2.307 1.00 0.00 H ATOM 95 N PHE A 7 5.030 -1.938 -0.379 1.00 0.00 N ATOM 96 CA PHE A 7 3.938 -2.475 0.461 1.00 0.00 C ATOM 97 C PHE A 7 3.060 -1.308 0.895 1.00 0.00 C ATOM 98 O PHE A 7 1.857 -1.321 0.735 1.00 0.00 O ATOM 99 CB PHE A 7 4.626 -3.107 1.666 1.00 0.00 C ATOM 100 CG PHE A 7 4.985 -4.541 1.358 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.248 -4.931 0.038 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.059 -5.481 2.393 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.584 -6.262 -0.244 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.394 -6.811 2.111 1.00 0.00 C ATOM 105 CZ PHE A 7 5.657 -7.201 0.792 1.00 0.00 C ATOM 106 H PHE A 7 5.881 -1.702 0.034 1.00 0.00 H ATOM 107 HA PHE A 7 3.373 -3.204 -0.076 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.523 -2.553 1.895 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.957 -3.078 2.513 1.00 0.00 H ATOM 110 HD1 PHE A 7 5.192 -4.208 -0.762 1.00 0.00 H ATOM 111 HD2 PHE A 7 4.856 -5.181 3.410 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.789 -6.562 -1.261 1.00 0.00 H ATOM 113 HE2 PHE A 7 5.451 -7.534 2.911 1.00 0.00 H ATOM 114 HZ PHE A 7 5.915 -8.228 0.574 1.00 0.00 H ATOM 115 N TYR A 8 3.670 -0.276 1.411 1.00 0.00 N ATOM 116 CA TYR A 8 2.894 0.917 1.821 1.00 0.00 C ATOM 117 C TYR A 8 1.987 1.310 0.661 1.00 0.00 C ATOM 118 O TYR A 8 0.852 1.707 0.844 1.00 0.00 O ATOM 119 CB TYR A 8 3.948 1.993 2.084 1.00 0.00 C ATOM 120 CG TYR A 8 3.308 3.357 2.042 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.741 3.898 3.201 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.284 4.082 0.844 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.148 5.165 3.163 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.690 5.349 0.806 1.00 0.00 C ATOM 125 CZ TYR A 8 2.123 5.891 1.967 1.00 0.00 C ATOM 126 OH TYR A 8 1.538 7.139 1.931 1.00 0.00 O ATOM 127 H TYR A 8 4.642 -0.280 1.503 1.00 0.00 H ATOM 128 HA TYR A 8 2.320 0.720 2.713 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.387 1.833 3.056 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.716 1.935 1.326 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.760 3.337 4.125 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.722 3.663 -0.051 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.711 5.582 4.057 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.672 5.910 -0.117 1.00 0.00 H ATOM 135 HH TYR A 8 1.260 7.362 2.823 1.00 0.00 H ATOM 136 N ASP A 9 2.479 1.171 -0.540 1.00 0.00 N ATOM 137 CA ASP A 9 1.649 1.500 -1.722 1.00 0.00 C ATOM 138 C ASP A 9 0.658 0.360 -1.948 1.00 0.00 C ATOM 139 O ASP A 9 -0.475 0.569 -2.331 1.00 0.00 O ATOM 140 CB ASP A 9 2.630 1.622 -2.888 1.00 0.00 C ATOM 141 CG ASP A 9 3.469 2.888 -2.711 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.000 3.797 -2.044 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.566 2.928 -3.242 1.00 0.00 O ATOM 144 H ASP A 9 3.389 0.829 -0.660 1.00 0.00 H ATOM 145 HA ASP A 9 1.134 2.428 -1.571 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.277 0.756 -2.907 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.080 1.684 -3.815 1.00 0.00 H ATOM 148 N LYS A 10 1.083 -0.850 -1.691 1.00 0.00 N ATOM 149 CA LYS A 10 0.170 -2.015 -1.861 1.00 0.00 C ATOM 150 C LYS A 10 -1.059 -1.844 -0.969 1.00 0.00 C ATOM 151 O LYS A 10 -2.177 -1.796 -1.436 1.00 0.00 O ATOM 152 CB LYS A 10 0.985 -3.231 -1.415 1.00 0.00 C ATOM 153 CG LYS A 10 0.156 -4.505 -1.609 1.00 0.00 C ATOM 154 CD LYS A 10 0.854 -5.425 -2.613 1.00 0.00 C ATOM 155 CE LYS A 10 -0.033 -6.643 -2.893 1.00 0.00 C ATOM 156 NZ LYS A 10 0.350 -7.102 -4.261 1.00 0.00 N ATOM 157 H LYS A 10 2.000 -0.987 -1.373 1.00 0.00 H ATOM 158 HA LYS A 10 -0.118 -2.122 -2.892 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.887 -3.295 -2.005 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.242 -3.128 -0.373 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.058 -5.014 -0.661 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.823 -4.245 -1.982 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.028 -4.886 -3.534 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.798 -5.755 -2.204 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.160 -7.420 -2.166 1.00 0.00 H ATOM 166 HE3 LYS A 10 -1.073 -6.361 -2.877 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.421 -6.889 -4.926 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.520 -8.128 -4.244 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.215 -6.613 -4.568 1.00 0.00 H ATOM 170 N VAL A 11 -0.864 -1.748 0.317 1.00 0.00 N ATOM 171 CA VAL A 11 -2.027 -1.576 1.226 1.00 0.00 C ATOM 172 C VAL A 11 -2.875 -0.381 0.773 1.00 0.00 C ATOM 173 O VAL A 11 -4.087 -0.454 0.734 1.00 0.00 O ATOM 174 CB VAL A 11 -1.437 -1.337 2.619 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.908 -2.657 3.181 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.287 -0.325 2.539 1.00 0.00 C ATOM 177 H VAL A 11 0.044 -1.788 0.681 1.00 0.00 H ATOM 178 HA VAL A 11 -2.625 -2.472 1.232 1.00 0.00 H ATOM 179 HB VAL A 11 -2.208 -0.956 3.272 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.451 -3.480 2.740 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.043 -2.672 4.253 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.143 -2.753 2.950 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.051 -0.120 1.507 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.584 -0.732 3.033 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.581 0.591 3.028 1.00 0.00 H ATOM 186 N ALA A 12 -2.253 0.716 0.421 1.00 0.00 N ATOM 187 CA ALA A 12 -3.040 1.898 -0.035 1.00 0.00 C ATOM 188 C ALA A 12 -3.877 1.524 -1.252 1.00 0.00 C ATOM 189 O ALA A 12 -4.940 2.066 -1.470 1.00 0.00 O ATOM 190 CB ALA A 12 -2.009 2.969 -0.365 1.00 0.00 C ATOM 191 H ALA A 12 -1.277 0.760 0.448 1.00 0.00 H ATOM 192 HA ALA A 12 -3.682 2.241 0.748 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.588 2.778 -1.339 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.226 2.948 0.379 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.485 3.938 -0.359 1.00 0.00 H ATOM 196 N GLU A 13 -3.432 0.576 -2.027 1.00 0.00 N ATOM 197 CA GLU A 13 -4.246 0.152 -3.189 1.00 0.00 C ATOM 198 C GLU A 13 -5.455 -0.603 -2.644 1.00 0.00 C ATOM 199 O GLU A 13 -6.549 -0.536 -3.176 1.00 0.00 O ATOM 200 CB GLU A 13 -3.336 -0.759 -4.023 1.00 0.00 C ATOM 201 CG GLU A 13 -4.179 -1.763 -4.818 1.00 0.00 C ATOM 202 CD GLU A 13 -4.357 -3.044 -3.999 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.443 -3.389 -3.269 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.405 -3.659 -4.118 1.00 0.00 O ATOM 205 H GLU A 13 -2.589 0.127 -1.827 1.00 0.00 H ATOM 206 HA GLU A 13 -4.556 1.006 -3.760 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.758 -0.155 -4.706 1.00 0.00 H ATOM 208 HB3 GLU A 13 -2.667 -1.295 -3.370 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.147 -1.331 -5.029 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.679 -1.997 -5.745 1.00 0.00 H ATOM 211 N LYS A 14 -5.268 -1.286 -1.548 1.00 0.00 N ATOM 212 CA LYS A 14 -6.392 -2.002 -0.932 1.00 0.00 C ATOM 213 C LYS A 14 -7.270 -0.973 -0.252 1.00 0.00 C ATOM 214 O LYS A 14 -8.456 -1.139 -0.144 1.00 0.00 O ATOM 215 CB LYS A 14 -5.768 -2.950 0.086 1.00 0.00 C ATOM 216 CG LYS A 14 -6.497 -4.294 0.051 1.00 0.00 C ATOM 217 CD LYS A 14 -5.677 -5.301 -0.761 1.00 0.00 C ATOM 218 CE LYS A 14 -6.483 -6.588 -0.948 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.913 -6.975 0.422 1.00 0.00 N ATOM 220 H LYS A 14 -4.399 -1.290 -1.113 1.00 0.00 H ATOM 221 HA LYS A 14 -6.941 -2.549 -1.669 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.727 -3.097 -0.156 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.854 -2.522 1.071 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.623 -4.662 1.060 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.465 -4.166 -0.411 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.443 -4.879 -1.729 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.761 -5.526 -0.235 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.342 -6.405 -1.579 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.862 -7.362 -1.373 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.862 -6.595 0.609 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.241 -6.589 1.118 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -6.937 -8.011 0.499 1.00 0.00 H ATOM 233 N PHE A 15 -6.686 0.112 0.178 1.00 0.00 N ATOM 234 CA PHE A 15 -7.491 1.173 0.823 1.00 0.00 C ATOM 235 C PHE A 15 -8.382 1.810 -0.242 1.00 0.00 C ATOM 236 O PHE A 15 -9.495 2.213 0.022 1.00 0.00 O ATOM 237 CB PHE A 15 -6.469 2.168 1.395 1.00 0.00 C ATOM 238 CG PHE A 15 -7.029 3.573 1.366 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.798 4.046 2.436 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.775 4.401 0.267 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.314 5.348 2.406 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.290 5.703 0.236 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.059 6.176 1.305 1.00 0.00 C ATOM 244 H PHE A 15 -5.724 0.234 0.054 1.00 0.00 H ATOM 245 HA PHE A 15 -8.089 0.756 1.609 1.00 0.00 H ATOM 246 HB2 PHE A 15 -6.242 1.896 2.415 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.565 2.131 0.806 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.995 3.407 3.284 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.182 4.037 -0.558 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.908 5.713 3.231 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.094 6.341 -0.612 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.456 7.181 1.282 1.00 0.00 H ATOM 253 N LYS A 16 -7.909 1.871 -1.456 1.00 0.00 N ATOM 254 CA LYS A 16 -8.749 2.444 -2.541 1.00 0.00 C ATOM 255 C LYS A 16 -9.894 1.472 -2.824 1.00 0.00 C ATOM 256 O LYS A 16 -10.983 1.859 -3.196 1.00 0.00 O ATOM 257 CB LYS A 16 -7.836 2.567 -3.766 1.00 0.00 C ATOM 258 CG LYS A 16 -8.689 2.680 -5.040 1.00 0.00 C ATOM 259 CD LYS A 16 -7.848 3.265 -6.178 1.00 0.00 C ATOM 260 CE LYS A 16 -8.739 3.540 -7.395 1.00 0.00 C ATOM 261 NZ LYS A 16 -9.553 2.304 -7.562 1.00 0.00 N ATOM 262 H LYS A 16 -7.015 1.519 -1.652 1.00 0.00 H ATOM 263 HA LYS A 16 -9.126 3.409 -2.256 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.220 3.449 -3.667 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.205 1.693 -3.834 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.043 1.699 -5.323 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.536 3.325 -4.850 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.394 4.189 -5.851 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.074 2.563 -6.453 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.377 4.392 -7.210 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.135 3.705 -8.274 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.947 1.469 -7.434 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -9.967 2.290 -8.517 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -10.313 2.292 -6.854 1.00 0.00 H ATOM 275 N GLU A 17 -9.642 0.204 -2.639 1.00 0.00 N ATOM 276 CA GLU A 17 -10.696 -0.814 -2.885 1.00 0.00 C ATOM 277 C GLU A 17 -11.320 -1.266 -1.561 1.00 0.00 C ATOM 278 O GLU A 17 -12.270 -2.027 -1.534 1.00 0.00 O ATOM 279 CB GLU A 17 -9.966 -1.972 -3.560 1.00 0.00 C ATOM 280 CG GLU A 17 -9.445 -1.516 -4.922 1.00 0.00 C ATOM 281 CD GLU A 17 -10.626 -1.255 -5.858 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.134 -2.212 -6.420 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.003 -0.103 -5.996 1.00 0.00 O ATOM 284 H GLU A 17 -8.756 -0.079 -2.338 1.00 0.00 H ATOM 285 HA GLU A 17 -11.443 -0.419 -3.539 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.137 -2.280 -2.941 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.645 -2.799 -3.693 1.00 0.00 H ATOM 288 HG2 GLU A 17 -8.873 -0.607 -4.799 1.00 0.00 H ATOM 289 HG3 GLU A 17 -8.814 -2.285 -5.343 1.00 0.00 H ATOM 290 N ALA A 18 -10.785 -0.811 -0.465 1.00 0.00 N ATOM 291 CA ALA A 18 -11.320 -1.202 0.863 1.00 0.00 C ATOM 292 C ALA A 18 -12.202 -0.083 1.407 1.00 0.00 C ATOM 293 O ALA A 18 -13.006 -0.277 2.297 1.00 0.00 O ATOM 294 CB ALA A 18 -10.080 -1.385 1.740 1.00 0.00 C ATOM 295 H ALA A 18 -10.025 -0.208 -0.515 1.00 0.00 H ATOM 296 HA ALA A 18 -11.865 -2.122 0.790 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.505 -2.227 1.377 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.377 -1.564 2.760 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.472 -0.492 1.690 1.00 0.00 H ATOM 300 N PHE A 19 -12.048 1.091 0.871 1.00 0.00 N ATOM 301 CA PHE A 19 -12.859 2.243 1.334 1.00 0.00 C ATOM 302 C PHE A 19 -13.571 2.907 0.152 1.00 0.00 C ATOM 303 O PHE A 19 -13.026 3.783 -0.490 1.00 0.00 O ATOM 304 CB PHE A 19 -11.860 3.205 1.968 1.00 0.00 C ATOM 305 CG PHE A 19 -12.027 3.174 3.467 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.865 1.970 4.159 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.351 4.345 4.163 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.029 1.932 5.547 1.00 0.00 C ATOM 309 CE2 PHE A 19 -12.514 4.309 5.554 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.353 3.102 6.245 1.00 0.00 C ATOM 311 H PHE A 19 -11.397 1.213 0.161 1.00 0.00 H ATOM 312 HA PHE A 19 -13.565 1.920 2.066 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.856 2.904 1.708 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.046 4.203 1.606 1.00 0.00 H ATOM 315 HD1 PHE A 19 -11.613 1.068 3.620 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.474 5.275 3.628 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.903 1.002 6.080 1.00 0.00 H ATOM 318 HE2 PHE A 19 -12.763 5.211 6.093 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.480 3.071 7.317 1.00 0.00 H HETATM 320 N NH2 A 20 -14.781 2.529 -0.161 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -15.247 2.953 -0.912 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -15.223 1.823 0.355 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 58 HETATM 1 C ACE A 1 12.394 -0.474 -0.275 1.00 0.00 C HETATM 2 O ACE A 1 11.394 0.153 0.018 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.358 -0.974 0.793 1.00 0.00 C HETATM 4 H1 ACE A 1 12.791 -1.352 1.633 1.00 0.00 H HETATM 5 H2 ACE A 1 13.989 -0.164 1.116 1.00 0.00 H HETATM 6 H3 ACE A 1 13.965 -1.769 0.383 1.00 0.00 H ATOM 7 N ASP A 2 12.648 -0.799 -1.508 1.00 0.00 N ATOM 8 CA ASP A 2 11.717 -0.401 -2.567 1.00 0.00 C ATOM 9 C ASP A 2 10.527 -1.311 -2.381 1.00 0.00 C ATOM 10 O ASP A 2 9.392 -0.943 -2.587 1.00 0.00 O ATOM 11 CB ASP A 2 12.451 -0.671 -3.884 1.00 0.00 C ATOM 12 CG ASP A 2 11.439 -0.814 -5.021 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.593 -1.687 -4.929 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.528 -0.045 -5.965 1.00 0.00 O ATOM 15 H ASP A 2 13.411 -1.350 -1.724 1.00 0.00 H ATOM 16 HA ASP A 2 11.444 0.635 -2.473 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.118 0.153 -4.097 1.00 0.00 H ATOM 18 HB3 ASP A 2 13.024 -1.582 -3.796 1.00 0.00 H ATOM 19 N TRP A 3 10.816 -2.501 -1.922 1.00 0.00 N ATOM 20 CA TRP A 3 9.755 -3.480 -1.634 1.00 0.00 C ATOM 21 C TRP A 3 8.954 -2.994 -0.407 1.00 0.00 C ATOM 22 O TRP A 3 7.833 -3.403 -0.176 1.00 0.00 O ATOM 23 CB TRP A 3 10.502 -4.790 -1.325 1.00 0.00 C ATOM 24 CG TRP A 3 10.889 -4.776 0.111 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.544 -3.763 0.705 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.635 -5.766 1.147 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.672 -4.033 2.040 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.151 -5.270 2.366 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.013 -7.026 1.150 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.052 -5.996 3.552 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.915 -7.764 2.340 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.434 -7.251 3.538 1.00 0.00 C ATOM 33 H TRP A 3 11.744 -2.735 -1.736 1.00 0.00 H ATOM 34 HA TRP A 3 9.131 -3.605 -2.487 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.857 -5.634 -1.521 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.388 -4.858 -1.940 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.881 -2.862 0.216 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.088 -3.439 2.684 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.610 -7.427 0.233 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.453 -5.594 4.469 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.439 -8.732 2.332 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.357 -7.825 4.450 1.00 0.00 H ATOM 43 N PHE A 4 9.535 -2.116 0.381 1.00 0.00 N ATOM 44 CA PHE A 4 8.823 -1.599 1.575 1.00 0.00 C ATOM 45 C PHE A 4 7.788 -0.616 1.085 1.00 0.00 C ATOM 46 O PHE A 4 6.603 -0.782 1.288 1.00 0.00 O ATOM 47 CB PHE A 4 9.879 -0.902 2.431 1.00 0.00 C ATOM 48 CG PHE A 4 9.360 -0.762 3.847 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.276 0.086 4.118 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.958 -1.483 4.889 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.793 0.211 5.428 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.475 -1.356 6.199 1.00 0.00 C ATOM 53 CZ PHE A 4 8.394 -0.509 6.468 1.00 0.00 C ATOM 54 H PHE A 4 10.430 -1.792 0.174 1.00 0.00 H ATOM 55 HA PHE A 4 8.367 -2.403 2.119 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.783 -1.491 2.434 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.082 0.075 2.023 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.813 0.642 3.319 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.793 -2.137 4.683 1.00 0.00 H ATOM 60 HE1 PHE A 4 6.958 0.865 5.638 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.939 -1.911 7.001 1.00 0.00 H ATOM 62 HZ PHE A 4 8.023 -0.411 7.477 1.00 0.00 H ATOM 63 N LYS A 5 8.225 0.373 0.364 1.00 0.00 N ATOM 64 CA LYS A 5 7.250 1.310 -0.217 1.00 0.00 C ATOM 65 C LYS A 5 6.369 0.487 -1.151 1.00 0.00 C ATOM 66 O LYS A 5 5.274 0.874 -1.509 1.00 0.00 O ATOM 67 CB LYS A 5 8.078 2.327 -0.992 1.00 0.00 C ATOM 68 CG LYS A 5 7.652 3.741 -0.595 1.00 0.00 C ATOM 69 CD LYS A 5 8.344 4.754 -1.507 1.00 0.00 C ATOM 70 CE LYS A 5 7.381 5.184 -2.614 1.00 0.00 C ATOM 71 NZ LYS A 5 8.224 5.269 -3.839 1.00 0.00 N ATOM 72 H LYS A 5 9.180 0.457 0.161 1.00 0.00 H ATOM 73 HA LYS A 5 6.670 1.790 0.548 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.122 2.186 -0.761 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.916 2.187 -2.048 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.580 3.837 -0.696 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.936 3.929 0.429 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.639 5.618 -0.928 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.219 4.302 -1.948 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.603 4.445 -2.740 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.955 6.150 -2.391 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.559 4.320 -4.097 1.00 0.00 H ATOM 83 HZ2 LYS A 5 9.038 5.890 -3.655 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.660 5.657 -4.620 1.00 0.00 H ATOM 85 N ALA A 6 6.855 -0.680 -1.522 1.00 0.00 N ATOM 86 CA ALA A 6 6.073 -1.578 -2.404 1.00 0.00 C ATOM 87 C ALA A 6 5.028 -2.317 -1.560 1.00 0.00 C ATOM 88 O ALA A 6 4.081 -2.884 -2.070 1.00 0.00 O ATOM 89 CB ALA A 6 7.105 -2.540 -2.984 1.00 0.00 C ATOM 90 H ALA A 6 7.739 -0.975 -1.196 1.00 0.00 H ATOM 91 HA ALA A 6 5.610 -1.022 -3.193 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.512 -3.135 -2.191 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.897 -1.977 -3.458 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.638 -3.180 -3.712 1.00 0.00 H ATOM 95 N PHE A 7 5.193 -2.288 -0.259 1.00 0.00 N ATOM 96 CA PHE A 7 4.223 -2.953 0.651 1.00 0.00 C ATOM 97 C PHE A 7 3.090 -1.982 0.967 1.00 0.00 C ATOM 98 O PHE A 7 1.931 -2.246 0.699 1.00 0.00 O ATOM 99 CB PHE A 7 5.013 -3.255 1.921 1.00 0.00 C ATOM 100 CG PHE A 7 5.432 -4.705 1.958 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.486 -5.461 0.779 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.772 -5.292 3.183 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.879 -6.804 0.830 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.164 -6.633 3.233 1.00 0.00 C ATOM 105 CZ PHE A 7 6.217 -7.390 2.057 1.00 0.00 C ATOM 106 H PHE A 7 5.953 -1.813 0.121 1.00 0.00 H ATOM 107 HA PHE A 7 3.845 -3.852 0.219 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.891 -2.631 1.948 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.397 -3.042 2.780 1.00 0.00 H ATOM 110 HD1 PHE A 7 5.227 -5.009 -0.167 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.730 -4.707 4.091 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.923 -7.387 -0.076 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.427 -7.083 4.179 1.00 0.00 H ATOM 114 HZ PHE A 7 6.519 -8.426 2.097 1.00 0.00 H ATOM 115 N TYR A 8 3.420 -0.856 1.535 1.00 0.00 N ATOM 116 CA TYR A 8 2.368 0.135 1.865 1.00 0.00 C ATOM 117 C TYR A 8 1.649 0.572 0.591 1.00 0.00 C ATOM 118 O TYR A 8 0.522 1.020 0.629 1.00 0.00 O ATOM 119 CB TYR A 8 3.091 1.315 2.501 1.00 0.00 C ATOM 120 CG TYR A 8 2.084 2.128 3.276 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.378 3.160 2.643 1.00 0.00 C ATOM 122 CD2 TYR A 8 1.844 1.841 4.623 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.434 3.904 3.360 1.00 0.00 C ATOM 124 CE2 TYR A 8 0.898 2.582 5.340 1.00 0.00 C ATOM 125 CZ TYR A 8 0.193 3.614 4.709 1.00 0.00 C ATOM 126 OH TYR A 8 -0.741 4.344 5.414 1.00 0.00 O ATOM 127 H TYR A 8 4.360 -0.665 1.739 1.00 0.00 H ATOM 128 HA TYR A 8 1.669 -0.284 2.568 1.00 0.00 H ATOM 129 HB2 TYR A 8 3.857 0.950 3.169 1.00 0.00 H ATOM 130 HB3 TYR A 8 3.535 1.924 1.730 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.565 3.381 1.603 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.390 1.046 5.110 1.00 0.00 H ATOM 133 HE1 TYR A 8 -0.110 4.701 2.872 1.00 0.00 H ATOM 134 HE2 TYR A 8 0.713 2.359 6.380 1.00 0.00 H ATOM 135 HH TYR A 8 -1.603 4.178 5.026 1.00 0.00 H ATOM 136 N ASP A 9 2.286 0.432 -0.542 1.00 0.00 N ATOM 137 CA ASP A 9 1.618 0.821 -1.810 1.00 0.00 C ATOM 138 C ASP A 9 0.573 -0.234 -2.154 1.00 0.00 C ATOM 139 O ASP A 9 -0.578 0.064 -2.403 1.00 0.00 O ATOM 140 CB ASP A 9 2.717 0.856 -2.869 1.00 0.00 C ATOM 141 CG ASP A 9 2.143 1.420 -4.170 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.062 2.631 -4.283 1.00 0.00 O ATOM 143 OD2 ASP A 9 1.787 0.629 -5.029 1.00 0.00 O ATOM 144 H ASP A 9 3.192 0.061 -0.557 1.00 0.00 H ATOM 145 HA ASP A 9 1.165 1.790 -1.712 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.527 1.485 -2.529 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.083 -0.143 -3.043 1.00 0.00 H ATOM 148 N LYS A 10 0.965 -1.475 -2.144 1.00 0.00 N ATOM 149 CA LYS A 10 -0.003 -2.557 -2.440 1.00 0.00 C ATOM 150 C LYS A 10 -1.210 -2.411 -1.514 1.00 0.00 C ATOM 151 O LYS A 10 -2.323 -2.163 -1.947 1.00 0.00 O ATOM 152 CB LYS A 10 0.753 -3.839 -2.132 1.00 0.00 C ATOM 153 CG LYS A 10 0.602 -4.820 -3.294 1.00 0.00 C ATOM 154 CD LYS A 10 0.112 -6.162 -2.756 1.00 0.00 C ATOM 155 CE LYS A 10 -0.276 -7.068 -3.925 1.00 0.00 C ATOM 156 NZ LYS A 10 0.105 -8.438 -3.488 1.00 0.00 N ATOM 157 H LYS A 10 1.892 -1.694 -1.923 1.00 0.00 H ATOM 158 HA LYS A 10 -0.300 -2.536 -3.471 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.798 -3.610 -1.989 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.352 -4.282 -1.236 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.115 -4.433 -4.004 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.557 -4.955 -3.779 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.899 -6.628 -2.182 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.751 -6.004 -2.124 1.00 0.00 H ATOM 165 HE2 LYS A 10 -1.341 -7.011 -4.104 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.272 -6.796 -4.813 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.698 -8.882 -3.001 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.917 -8.382 -2.841 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.362 -9.007 -4.319 1.00 0.00 H ATOM 170 N VAL A 11 -0.998 -2.538 -0.233 1.00 0.00 N ATOM 171 CA VAL A 11 -2.139 -2.380 0.710 1.00 0.00 C ATOM 172 C VAL A 11 -2.886 -1.089 0.366 1.00 0.00 C ATOM 173 O VAL A 11 -4.101 -1.038 0.361 1.00 0.00 O ATOM 174 CB VAL A 11 -1.507 -2.292 2.095 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.818 -3.618 2.424 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.477 -1.164 2.109 1.00 0.00 C ATOM 177 H VAL A 11 -0.089 -2.720 0.107 1.00 0.00 H ATOM 178 HA VAL A 11 -2.799 -3.231 0.653 1.00 0.00 H ATOM 179 HB VAL A 11 -2.274 -2.090 2.827 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.374 -3.560 3.406 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.048 -3.813 1.692 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.545 -4.416 2.403 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.114 -1.227 3.010 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.986 -0.212 2.079 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.167 -1.256 1.248 1.00 0.00 H ATOM 186 N ALA A 12 -2.157 -0.050 0.059 1.00 0.00 N ATOM 187 CA ALA A 12 -2.803 1.239 -0.312 1.00 0.00 C ATOM 188 C ALA A 12 -3.800 1.000 -1.437 1.00 0.00 C ATOM 189 O ALA A 12 -4.819 1.648 -1.517 1.00 0.00 O ATOM 190 CB ALA A 12 -1.668 2.146 -0.767 1.00 0.00 C ATOM 191 H ALA A 12 -1.185 -0.126 0.058 1.00 0.00 H ATOM 192 HA ALA A 12 -3.301 1.673 0.535 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.957 2.659 -1.671 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.788 1.552 -0.952 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.460 2.869 0.006 1.00 0.00 H ATOM 196 N GLU A 13 -3.533 0.053 -2.293 1.00 0.00 N ATOM 197 CA GLU A 13 -4.498 -0.241 -3.380 1.00 0.00 C ATOM 198 C GLU A 13 -5.747 -0.842 -2.741 1.00 0.00 C ATOM 199 O GLU A 13 -6.857 -0.665 -3.208 1.00 0.00 O ATOM 200 CB GLU A 13 -3.808 -1.262 -4.282 1.00 0.00 C ATOM 201 CG GLU A 13 -4.564 -1.372 -5.608 1.00 0.00 C ATOM 202 CD GLU A 13 -5.003 -2.822 -5.827 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.189 -3.705 -5.611 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.143 -3.025 -6.207 1.00 0.00 O ATOM 205 H GLU A 13 -2.717 -0.475 -2.205 1.00 0.00 H ATOM 206 HA GLU A 13 -4.734 0.650 -3.929 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.794 -0.944 -4.471 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.801 -2.223 -3.795 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.434 -0.731 -5.582 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.917 -1.069 -6.418 1.00 0.00 H ATOM 211 N LYS A 14 -5.565 -1.524 -1.641 1.00 0.00 N ATOM 212 CA LYS A 14 -6.715 -2.108 -0.936 1.00 0.00 C ATOM 213 C LYS A 14 -7.332 -1.020 -0.088 1.00 0.00 C ATOM 214 O LYS A 14 -8.479 -1.089 0.282 1.00 0.00 O ATOM 215 CB LYS A 14 -6.142 -3.227 -0.063 1.00 0.00 C ATOM 216 CG LYS A 14 -7.226 -3.743 0.882 1.00 0.00 C ATOM 217 CD LYS A 14 -7.247 -2.882 2.143 1.00 0.00 C ATOM 218 CE LYS A 14 -6.942 -3.746 3.367 1.00 0.00 C ATOM 219 NZ LYS A 14 -7.527 -2.994 4.512 1.00 0.00 N ATOM 220 H LYS A 14 -4.675 -1.620 -1.265 1.00 0.00 H ATOM 221 HA LYS A 14 -7.426 -2.496 -1.637 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.797 -4.032 -0.694 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.315 -2.844 0.516 1.00 0.00 H ATOM 224 HG2 LYS A 14 -8.188 -3.689 0.391 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.015 -4.767 1.151 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.504 -2.102 2.058 1.00 0.00 H ATOM 227 HD3 LYS A 14 -8.222 -2.440 2.256 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.412 -4.715 3.268 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.877 -3.851 3.498 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -8.536 -3.224 4.599 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.416 -1.972 4.346 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -7.035 -3.260 5.389 1.00 0.00 H ATOM 233 N PHE A 15 -6.573 0.005 0.195 1.00 0.00 N ATOM 234 CA PHE A 15 -7.111 1.125 0.987 1.00 0.00 C ATOM 235 C PHE A 15 -8.024 1.948 0.088 1.00 0.00 C ATOM 236 O PHE A 15 -9.028 2.474 0.516 1.00 0.00 O ATOM 237 CB PHE A 15 -5.888 1.931 1.430 1.00 0.00 C ATOM 238 CG PHE A 15 -6.144 2.554 2.786 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.785 3.795 2.872 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.739 1.893 3.954 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.023 4.376 4.124 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.976 2.476 5.207 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.619 3.717 5.291 1.00 0.00 C ATOM 244 H PHE A 15 -5.655 0.041 -0.135 1.00 0.00 H ATOM 245 HA PHE A 15 -7.642 0.758 1.832 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.032 1.276 1.492 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.695 2.711 0.709 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.097 4.305 1.971 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.243 0.935 3.889 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.518 5.332 4.189 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.664 1.967 6.107 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.802 4.166 6.256 1.00 0.00 H ATOM 253 N LYS A 16 -7.693 2.025 -1.173 1.00 0.00 N ATOM 254 CA LYS A 16 -8.548 2.780 -2.128 1.00 0.00 C ATOM 255 C LYS A 16 -9.790 1.951 -2.413 1.00 0.00 C ATOM 256 O LYS A 16 -10.867 2.470 -2.637 1.00 0.00 O ATOM 257 CB LYS A 16 -7.697 2.957 -3.389 1.00 0.00 C ATOM 258 CG LYS A 16 -8.515 3.665 -4.474 1.00 0.00 C ATOM 259 CD LYS A 16 -7.931 5.056 -4.738 1.00 0.00 C ATOM 260 CE LYS A 16 -7.050 5.014 -5.992 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.959 5.377 -7.116 1.00 0.00 N ATOM 262 H LYS A 16 -6.895 1.562 -1.495 1.00 0.00 H ATOM 263 HA LYS A 16 -8.820 3.731 -1.714 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.825 3.548 -3.152 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.387 1.988 -3.752 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.483 3.084 -5.383 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.540 3.764 -4.146 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.734 5.762 -4.885 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.333 5.361 -3.892 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.246 5.732 -5.907 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.655 4.021 -6.142 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.394 5.642 -7.948 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.556 6.180 -6.832 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.560 4.562 -7.353 1.00 0.00 H ATOM 275 N GLU A 17 -9.650 0.658 -2.357 1.00 0.00 N ATOM 276 CA GLU A 17 -10.820 -0.224 -2.567 1.00 0.00 C ATOM 277 C GLU A 17 -11.478 -0.437 -1.209 1.00 0.00 C ATOM 278 O GLU A 17 -12.649 -0.741 -1.097 1.00 0.00 O ATOM 279 CB GLU A 17 -10.257 -1.531 -3.111 1.00 0.00 C ATOM 280 CG GLU A 17 -10.963 -1.886 -4.420 1.00 0.00 C ATOM 281 CD GLU A 17 -10.872 -0.705 -5.388 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.109 0.206 -5.111 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.568 -0.731 -6.389 1.00 0.00 O ATOM 284 H GLU A 17 -8.778 0.269 -2.137 1.00 0.00 H ATOM 285 HA GLU A 17 -11.501 0.215 -3.265 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.199 -1.415 -3.291 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.419 -2.317 -2.392 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.489 -2.751 -4.861 1.00 0.00 H ATOM 289 HG3 GLU A 17 -12.001 -2.106 -4.222 1.00 0.00 H ATOM 290 N ALA A 18 -10.707 -0.244 -0.175 1.00 0.00 N ATOM 291 CA ALA A 18 -11.219 -0.387 1.206 1.00 0.00 C ATOM 292 C ALA A 18 -12.249 0.705 1.463 1.00 0.00 C ATOM 293 O ALA A 18 -13.232 0.509 2.150 1.00 0.00 O ATOM 294 CB ALA A 18 -9.982 -0.173 2.071 1.00 0.00 C ATOM 295 H ALA A 18 -9.779 0.021 -0.312 1.00 0.00 H ATOM 296 HA ALA A 18 -11.632 -1.368 1.367 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.274 0.144 3.058 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.367 0.588 1.616 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.422 -1.093 2.134 1.00 0.00 H ATOM 300 N PHE A 19 -12.024 1.857 0.897 1.00 0.00 N ATOM 301 CA PHE A 19 -12.979 2.975 1.077 1.00 0.00 C ATOM 302 C PHE A 19 -13.635 3.307 -0.262 1.00 0.00 C ATOM 303 O PHE A 19 -14.619 4.019 -0.318 1.00 0.00 O ATOM 304 CB PHE A 19 -12.148 4.150 1.629 1.00 0.00 C ATOM 305 CG PHE A 19 -11.313 4.816 0.556 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.909 5.441 -0.551 1.00 0.00 C ATOM 307 CD2 PHE A 19 -9.920 4.821 0.690 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.108 6.058 -1.518 1.00 0.00 C ATOM 309 CE2 PHE A 19 -9.124 5.439 -0.272 1.00 0.00 C ATOM 310 CZ PHE A 19 -9.716 6.054 -1.379 1.00 0.00 C ATOM 311 H PHE A 19 -11.231 1.982 0.346 1.00 0.00 H ATOM 312 HA PHE A 19 -13.723 2.695 1.790 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.807 4.882 2.057 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.487 3.775 2.398 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.983 5.450 -0.658 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.459 4.340 1.541 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.563 6.531 -2.373 1.00 0.00 H ATOM 318 HE2 PHE A 19 -8.049 5.438 -0.163 1.00 0.00 H ATOM 319 HZ PHE A 19 -9.099 6.528 -2.123 1.00 0.00 H HETATM 320 N NH2 A 20 -13.126 2.811 -1.356 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.534 3.012 -2.224 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.332 2.238 -1.310 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 59 HETATM 1 C ACE A 1 12.075 -2.072 -0.767 1.00 0.00 C HETATM 2 O ACE A 1 11.311 -1.125 -0.709 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.328 -2.143 0.089 1.00 0.00 C HETATM 4 H1 ACE A 1 14.044 -2.798 -0.379 1.00 0.00 H HETATM 5 H2 ACE A 1 13.065 -2.533 1.065 1.00 0.00 H HETATM 6 H3 ACE A 1 13.747 -1.158 0.197 1.00 0.00 H ATOM 7 N ASP A 2 11.821 -3.099 -1.524 1.00 0.00 N ATOM 8 CA ASP A 2 10.593 -3.125 -2.330 1.00 0.00 C ATOM 9 C ASP A 2 9.430 -3.344 -1.374 1.00 0.00 C ATOM 10 O ASP A 2 8.300 -3.407 -1.758 1.00 0.00 O ATOM 11 CB ASP A 2 10.751 -4.307 -3.285 1.00 0.00 C ATOM 12 CG ASP A 2 11.917 -4.039 -4.239 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.854 -3.057 -4.961 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.852 -4.821 -4.234 1.00 0.00 O ATOM 15 H ASP A 2 12.411 -3.867 -1.525 1.00 0.00 H ATOM 16 HA ASP A 2 10.479 -2.208 -2.878 1.00 0.00 H ATOM 17 HB2 ASP A 2 10.947 -5.204 -2.717 1.00 0.00 H ATOM 18 HB3 ASP A 2 9.844 -4.431 -3.856 1.00 0.00 H ATOM 19 N TRP A 3 9.715 -3.474 -0.112 1.00 0.00 N ATOM 20 CA TRP A 3 8.643 -3.692 0.876 1.00 0.00 C ATOM 21 C TRP A 3 8.284 -2.336 1.436 1.00 0.00 C ATOM 22 O TRP A 3 7.183 -2.094 1.864 1.00 0.00 O ATOM 23 CB TRP A 3 9.245 -4.653 1.904 1.00 0.00 C ATOM 24 CG TRP A 3 10.088 -5.602 1.126 1.00 0.00 C ATOM 25 CD1 TRP A 3 9.776 -6.037 -0.112 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.364 -6.189 1.461 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.794 -6.814 -0.581 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.798 -6.967 0.363 1.00 0.00 C ATOM 29 CE3 TRP A 3 12.174 -6.120 2.595 1.00 0.00 C ATOM 30 CZ2 TRP A 3 13.011 -7.653 0.395 1.00 0.00 C ATOM 31 CZ3 TRP A 3 13.394 -6.812 2.639 1.00 0.00 C ATOM 32 CH2 TRP A 3 13.812 -7.578 1.539 1.00 0.00 C ATOM 33 H TRP A 3 10.633 -3.442 0.193 1.00 0.00 H ATOM 34 HA TRP A 3 7.805 -4.142 0.401 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.851 -4.108 2.614 1.00 0.00 H ATOM 36 HB3 TRP A 3 8.463 -5.190 2.415 1.00 0.00 H ATOM 37 HD1 TRP A 3 8.886 -5.774 -0.661 1.00 0.00 H ATOM 38 HE1 TRP A 3 10.809 -7.221 -1.463 1.00 0.00 H ATOM 39 HE3 TRP A 3 11.853 -5.529 3.440 1.00 0.00 H ATOM 40 HZ2 TRP A 3 13.329 -8.231 -0.455 1.00 0.00 H ATOM 41 HZ3 TRP A 3 14.012 -6.756 3.521 1.00 0.00 H ATOM 42 HH2 TRP A 3 14.752 -8.110 1.577 1.00 0.00 H ATOM 43 N PHE A 4 9.203 -1.420 1.356 1.00 0.00 N ATOM 44 CA PHE A 4 8.900 -0.051 1.800 1.00 0.00 C ATOM 45 C PHE A 4 8.047 0.590 0.707 1.00 0.00 C ATOM 46 O PHE A 4 7.060 1.256 0.961 1.00 0.00 O ATOM 47 CB PHE A 4 10.252 0.656 1.909 1.00 0.00 C ATOM 48 CG PHE A 4 10.032 2.138 2.112 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.392 2.600 3.269 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.467 3.050 1.142 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.189 3.973 3.457 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.263 4.422 1.329 1.00 0.00 C ATOM 53 CZ PHE A 4 9.625 4.884 2.486 1.00 0.00 C ATOM 54 H PHE A 4 10.071 -1.622 0.951 1.00 0.00 H ATOM 55 HA PHE A 4 8.398 -0.062 2.744 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.804 0.255 2.747 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.815 0.499 1.000 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.056 1.897 4.017 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.960 2.693 0.249 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.696 4.329 4.348 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.599 5.125 0.581 1.00 0.00 H ATOM 62 HZ PHE A 4 9.469 5.943 2.632 1.00 0.00 H ATOM 63 N LYS A 5 8.445 0.373 -0.522 1.00 0.00 N ATOM 64 CA LYS A 5 7.713 0.949 -1.678 1.00 0.00 C ATOM 65 C LYS A 5 6.596 0.024 -2.197 1.00 0.00 C ATOM 66 O LYS A 5 5.517 0.487 -2.512 1.00 0.00 O ATOM 67 CB LYS A 5 8.785 1.139 -2.751 1.00 0.00 C ATOM 68 CG LYS A 5 8.251 2.053 -3.854 1.00 0.00 C ATOM 69 CD LYS A 5 8.761 1.567 -5.212 1.00 0.00 C ATOM 70 CE LYS A 5 7.760 1.958 -6.299 1.00 0.00 C ATOM 71 NZ LYS A 5 7.489 0.698 -7.045 1.00 0.00 N ATOM 72 H LYS A 5 9.244 -0.168 -0.683 1.00 0.00 H ATOM 73 HA LYS A 5 7.309 1.905 -1.411 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.661 1.588 -2.305 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.045 0.182 -3.173 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.171 2.034 -3.845 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.595 3.062 -3.684 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.718 2.024 -5.421 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.870 0.493 -5.194 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.852 2.336 -5.851 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.190 2.694 -6.960 1.00 0.00 H ATOM 82 HZ1 LYS A 5 7.347 0.915 -8.051 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.633 0.247 -6.664 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.296 0.052 -6.942 1.00 0.00 H ATOM 85 N ALA A 6 6.822 -1.267 -2.320 1.00 0.00 N ATOM 86 CA ALA A 6 5.727 -2.129 -2.855 1.00 0.00 C ATOM 87 C ALA A 6 4.620 -2.316 -1.820 1.00 0.00 C ATOM 88 O ALA A 6 3.497 -2.633 -2.161 1.00 0.00 O ATOM 89 CB ALA A 6 6.364 -3.462 -3.219 1.00 0.00 C ATOM 90 H ALA A 6 7.694 -1.663 -2.082 1.00 0.00 H ATOM 91 HA ALA A 6 5.324 -1.683 -3.740 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.355 -3.291 -3.616 1.00 0.00 H ATOM 93 HB2 ALA A 6 5.758 -3.957 -3.963 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.430 -4.083 -2.338 1.00 0.00 H ATOM 95 N PHE A 7 4.902 -2.118 -0.561 1.00 0.00 N ATOM 96 CA PHE A 7 3.818 -2.288 0.445 1.00 0.00 C ATOM 97 C PHE A 7 3.108 -0.963 0.700 1.00 0.00 C ATOM 98 O PHE A 7 1.901 -0.892 0.657 1.00 0.00 O ATOM 99 CB PHE A 7 4.468 -2.787 1.733 1.00 0.00 C ATOM 100 CG PHE A 7 5.050 -4.172 1.535 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.873 -4.853 0.322 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.758 -4.780 2.578 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.407 -6.136 0.155 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.289 -6.064 2.411 1.00 0.00 C ATOM 105 CZ PHE A 7 6.114 -6.742 1.199 1.00 0.00 C ATOM 106 H PHE A 7 5.804 -1.857 -0.285 1.00 0.00 H ATOM 107 HA PHE A 7 3.117 -3.013 0.091 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.240 -2.105 2.029 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.718 -2.828 2.508 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.328 -4.386 -0.485 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.894 -4.257 3.512 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.271 -6.659 -0.779 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.835 -6.531 3.217 1.00 0.00 H ATOM 114 HZ PHE A 7 6.525 -7.732 1.072 1.00 0.00 H ATOM 115 N TYR A 8 3.829 0.092 0.969 1.00 0.00 N ATOM 116 CA TYR A 8 3.136 1.383 1.223 1.00 0.00 C ATOM 117 C TYR A 8 2.247 1.741 0.030 1.00 0.00 C ATOM 118 O TYR A 8 1.220 2.379 0.172 1.00 0.00 O ATOM 119 CB TYR A 8 4.250 2.411 1.395 1.00 0.00 C ATOM 120 CG TYR A 8 3.746 3.543 2.257 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.023 4.592 1.680 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.997 3.539 3.634 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.551 5.639 2.478 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.525 4.587 4.434 1.00 0.00 C ATOM 125 CZ TYR A 8 2.802 5.637 3.856 1.00 0.00 C ATOM 126 OH TYR A 8 2.336 6.671 4.643 1.00 0.00 O ATOM 127 H TYR A 8 4.812 0.036 1.008 1.00 0.00 H ATOM 128 HA TYR A 8 2.554 1.324 2.124 1.00 0.00 H ATOM 129 HB2 TYR A 8 5.100 1.945 1.870 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.537 2.796 0.429 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.829 4.594 0.617 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.554 2.728 4.081 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.994 6.450 2.032 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.717 4.585 5.496 1.00 0.00 H ATOM 135 HH TYR A 8 2.641 6.521 5.541 1.00 0.00 H ATOM 136 N ASP A 9 2.636 1.332 -1.144 1.00 0.00 N ATOM 137 CA ASP A 9 1.831 1.647 -2.352 1.00 0.00 C ATOM 138 C ASP A 9 0.627 0.710 -2.467 1.00 0.00 C ATOM 139 O ASP A 9 -0.502 1.145 -2.576 1.00 0.00 O ATOM 140 CB ASP A 9 2.790 1.435 -3.520 1.00 0.00 C ATOM 141 CG ASP A 9 2.270 2.178 -4.749 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.564 3.356 -4.871 1.00 0.00 O ATOM 143 OD2 ASP A 9 1.589 1.559 -5.549 1.00 0.00 O ATOM 144 H ASP A 9 3.463 0.819 -1.232 1.00 0.00 H ATOM 145 HA ASP A 9 1.514 2.670 -2.326 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.766 1.815 -3.256 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.860 0.382 -3.742 1.00 0.00 H ATOM 148 N LYS A 10 0.860 -0.573 -2.459 1.00 0.00 N ATOM 149 CA LYS A 10 -0.270 -1.536 -2.584 1.00 0.00 C ATOM 150 C LYS A 10 -1.220 -1.426 -1.389 1.00 0.00 C ATOM 151 O LYS A 10 -2.416 -1.582 -1.527 1.00 0.00 O ATOM 152 CB LYS A 10 0.384 -2.913 -2.622 1.00 0.00 C ATOM 153 CG LYS A 10 0.891 -3.197 -4.037 1.00 0.00 C ATOM 154 CD LYS A 10 0.394 -4.571 -4.491 1.00 0.00 C ATOM 155 CE LYS A 10 0.920 -4.865 -5.899 1.00 0.00 C ATOM 156 NZ LYS A 10 0.139 -6.044 -6.365 1.00 0.00 N ATOM 157 H LYS A 10 1.777 -0.904 -2.381 1.00 0.00 H ATOM 158 HA LYS A 10 -0.801 -1.365 -3.501 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.212 -2.937 -1.929 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.342 -3.662 -2.345 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.520 -2.437 -4.710 1.00 0.00 H ATOM 162 HG3 LYS A 10 1.971 -3.187 -4.043 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.750 -5.327 -3.807 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.686 -4.575 -4.504 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.749 -4.018 -6.549 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.970 -5.109 -5.866 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.772 -6.077 -5.864 1.00 0.00 H ATOM 168 HZ2 LYS A 10 0.675 -6.914 -6.169 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.033 -5.965 -7.387 1.00 0.00 H ATOM 170 N VAL A 11 -0.705 -1.163 -0.219 1.00 0.00 N ATOM 171 CA VAL A 11 -1.594 -1.050 0.970 1.00 0.00 C ATOM 172 C VAL A 11 -2.524 0.148 0.811 1.00 0.00 C ATOM 173 O VAL A 11 -3.715 0.059 1.041 1.00 0.00 O ATOM 174 CB VAL A 11 -0.665 -0.857 2.171 1.00 0.00 C ATOM 175 CG1 VAL A 11 0.288 -2.048 2.282 1.00 0.00 C ATOM 176 CG2 VAL A 11 0.147 0.430 2.008 1.00 0.00 C ATOM 177 H VAL A 11 0.257 -1.045 -0.122 1.00 0.00 H ATOM 178 HA VAL A 11 -2.167 -1.953 1.089 1.00 0.00 H ATOM 179 HB VAL A 11 -1.260 -0.792 3.070 1.00 0.00 H ATOM 180 HG11 VAL A 11 1.261 -1.702 2.597 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.371 -2.531 1.320 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.096 -2.750 3.007 1.00 0.00 H ATOM 183 HG21 VAL A 11 1.026 0.383 2.633 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.456 1.276 2.300 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.446 0.541 0.976 1.00 0.00 H ATOM 186 N ALA A 12 -1.995 1.269 0.414 1.00 0.00 N ATOM 187 CA ALA A 12 -2.851 2.466 0.236 1.00 0.00 C ATOM 188 C ALA A 12 -3.838 2.236 -0.902 1.00 0.00 C ATOM 189 O ALA A 12 -4.889 2.844 -0.959 1.00 0.00 O ATOM 190 CB ALA A 12 -1.887 3.595 -0.100 1.00 0.00 C ATOM 191 H ALA A 12 -1.035 1.324 0.230 1.00 0.00 H ATOM 192 HA ALA A 12 -3.374 2.688 1.140 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.899 3.338 0.253 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.217 4.502 0.381 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.862 3.738 -1.169 1.00 0.00 H ATOM 196 N GLU A 13 -3.515 1.357 -1.804 1.00 0.00 N ATOM 197 CA GLU A 13 -4.441 1.087 -2.925 1.00 0.00 C ATOM 198 C GLU A 13 -5.476 0.049 -2.504 1.00 0.00 C ATOM 199 O GLU A 13 -6.553 -0.028 -3.055 1.00 0.00 O ATOM 200 CB GLU A 13 -3.566 0.553 -4.053 1.00 0.00 C ATOM 201 CG GLU A 13 -3.416 1.624 -5.137 1.00 0.00 C ATOM 202 CD GLU A 13 -3.070 2.969 -4.491 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.095 3.019 -3.760 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.785 3.925 -4.743 1.00 0.00 O ATOM 205 H GLU A 13 -2.671 0.873 -1.740 1.00 0.00 H ATOM 206 HA GLU A 13 -4.921 1.990 -3.232 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.595 0.299 -3.659 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.027 -0.324 -4.478 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.628 1.338 -5.818 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.345 1.717 -5.680 1.00 0.00 H ATOM 211 N LYS A 14 -5.169 -0.737 -1.514 1.00 0.00 N ATOM 212 CA LYS A 14 -6.144 -1.744 -1.062 1.00 0.00 C ATOM 213 C LYS A 14 -7.024 -1.125 0.002 1.00 0.00 C ATOM 214 O LYS A 14 -8.111 -1.574 0.264 1.00 0.00 O ATOM 215 CB LYS A 14 -5.317 -2.902 -0.505 1.00 0.00 C ATOM 216 CG LYS A 14 -5.286 -4.045 -1.522 1.00 0.00 C ATOM 217 CD LYS A 14 -4.919 -5.349 -0.812 1.00 0.00 C ATOM 218 CE LYS A 14 -4.568 -6.415 -1.858 1.00 0.00 C ATOM 219 NZ LYS A 14 -3.208 -6.918 -1.492 1.00 0.00 N ATOM 220 H LYS A 14 -4.316 -0.652 -1.061 1.00 0.00 H ATOM 221 HA LYS A 14 -6.735 -2.070 -1.886 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.311 -2.562 -0.315 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.763 -3.252 0.413 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.260 -4.146 -1.982 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.550 -3.832 -2.282 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.073 -5.177 -0.163 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.759 -5.688 -0.225 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.288 -7.222 -1.822 1.00 0.00 H ATOM 229 HE3 LYS A 14 -4.546 -5.977 -2.843 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -2.570 -6.813 -2.307 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -3.271 -7.923 -1.229 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -2.832 -6.374 -0.692 1.00 0.00 H ATOM 233 N PHE A 15 -6.579 -0.072 0.601 1.00 0.00 N ATOM 234 CA PHE A 15 -7.421 0.577 1.618 1.00 0.00 C ATOM 235 C PHE A 15 -8.365 1.538 0.916 1.00 0.00 C ATOM 236 O PHE A 15 -9.486 1.758 1.338 1.00 0.00 O ATOM 237 CB PHE A 15 -6.453 1.321 2.541 1.00 0.00 C ATOM 238 CG PHE A 15 -7.207 2.358 3.339 1.00 0.00 C ATOM 239 CD1 PHE A 15 -8.384 2.008 4.010 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.724 3.669 3.412 1.00 0.00 C ATOM 241 CE1 PHE A 15 -9.079 2.969 4.754 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.417 4.630 4.158 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.595 4.280 4.829 1.00 0.00 C ATOM 244 H PHE A 15 -5.707 0.302 0.368 1.00 0.00 H ATOM 245 HA PHE A 15 -7.972 -0.158 2.160 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.988 0.617 3.214 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.693 1.808 1.947 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.758 0.996 3.952 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.815 3.940 2.895 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.987 2.698 5.272 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.044 5.642 4.215 1.00 0.00 H ATOM 252 HZ PHE A 15 -9.130 5.021 5.405 1.00 0.00 H ATOM 253 N LYS A 16 -7.924 2.095 -0.170 1.00 0.00 N ATOM 254 CA LYS A 16 -8.789 3.036 -0.914 1.00 0.00 C ATOM 255 C LYS A 16 -9.731 2.272 -1.846 1.00 0.00 C ATOM 256 O LYS A 16 -10.782 2.760 -2.212 1.00 0.00 O ATOM 257 CB LYS A 16 -7.830 3.920 -1.704 1.00 0.00 C ATOM 258 CG LYS A 16 -8.376 5.349 -1.749 1.00 0.00 C ATOM 259 CD LYS A 16 -7.304 6.321 -1.249 1.00 0.00 C ATOM 260 CE LYS A 16 -7.806 7.759 -1.396 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.971 8.555 -0.455 1.00 0.00 N ATOM 262 H LYS A 16 -7.025 1.882 -0.501 1.00 0.00 H ATOM 263 HA LYS A 16 -9.350 3.633 -0.225 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.864 3.917 -1.219 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.733 3.540 -2.707 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.647 5.598 -2.765 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.247 5.421 -1.116 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.094 6.117 -0.208 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.402 6.194 -1.830 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.667 8.102 -2.412 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.845 7.824 -1.115 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.433 8.588 0.477 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.862 9.524 -0.821 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.035 8.112 -0.360 1.00 0.00 H ATOM 275 N GLU A 17 -9.376 1.073 -2.223 1.00 0.00 N ATOM 276 CA GLU A 17 -10.276 0.293 -3.113 1.00 0.00 C ATOM 277 C GLU A 17 -11.047 -0.735 -2.288 1.00 0.00 C ATOM 278 O GLU A 17 -12.249 -0.860 -2.398 1.00 0.00 O ATOM 279 CB GLU A 17 -9.373 -0.388 -4.133 1.00 0.00 C ATOM 280 CG GLU A 17 -9.821 -0.005 -5.547 1.00 0.00 C ATOM 281 CD GLU A 17 -11.339 -0.159 -5.665 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.872 -1.075 -5.061 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.943 0.642 -6.359 1.00 0.00 O ATOM 284 H GLU A 17 -8.534 0.683 -1.908 1.00 0.00 H ATOM 285 HA GLU A 17 -10.952 0.953 -3.610 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.360 -0.064 -3.981 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.437 -1.456 -4.014 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.547 1.020 -5.745 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.339 -0.651 -6.264 1.00 0.00 H ATOM 290 N ALA A 18 -10.364 -1.461 -1.449 1.00 0.00 N ATOM 291 CA ALA A 18 -11.060 -2.462 -0.605 1.00 0.00 C ATOM 292 C ALA A 18 -11.961 -1.731 0.394 1.00 0.00 C ATOM 293 O ALA A 18 -12.924 -2.278 0.895 1.00 0.00 O ATOM 294 CB ALA A 18 -9.946 -3.220 0.113 1.00 0.00 C ATOM 295 H ALA A 18 -9.397 -1.339 -1.366 1.00 0.00 H ATOM 296 HA ALA A 18 -11.634 -3.135 -1.218 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.271 -4.223 0.331 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.701 -2.709 1.034 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.071 -3.256 -0.520 1.00 0.00 H ATOM 300 N PHE A 19 -11.657 -0.489 0.678 1.00 0.00 N ATOM 301 CA PHE A 19 -12.494 0.284 1.629 1.00 0.00 C ATOM 302 C PHE A 19 -12.591 1.744 1.180 1.00 0.00 C ATOM 303 O PHE A 19 -12.294 2.068 0.048 1.00 0.00 O ATOM 304 CB PHE A 19 -11.775 0.181 2.968 1.00 0.00 C ATOM 305 CG PHE A 19 -11.922 -1.222 3.504 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.195 -1.751 3.751 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.784 -1.996 3.753 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.329 -3.053 4.249 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.917 -3.299 4.250 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.189 -3.827 4.497 1.00 0.00 C ATOM 311 H PHE A 19 -10.882 -0.063 0.263 1.00 0.00 H ATOM 312 HA PHE A 19 -13.467 -0.152 1.701 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.729 0.410 2.833 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.212 0.880 3.663 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.075 -1.154 3.558 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.803 -1.589 3.561 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.310 -3.462 4.439 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.038 -3.894 4.442 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.290 -4.832 4.880 1.00 0.00 H HETATM 320 N NH2 A 20 -12.998 2.647 2.029 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.067 3.584 1.750 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.239 2.387 2.942 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 60 HETATM 1 C ACE A 1 12.424 -1.064 -0.349 1.00 0.00 C HETATM 2 O ACE A 1 11.406 -0.531 0.049 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.532 -1.463 0.615 1.00 0.00 C HETATM 4 H1 ACE A 1 13.096 -1.742 1.564 1.00 0.00 H HETATM 5 H2 ACE A 1 14.203 -0.633 0.753 1.00 0.00 H HETATM 6 H3 ACE A 1 14.074 -2.304 0.206 1.00 0.00 H ATOM 7 N ASP A 2 12.584 -1.352 -1.608 1.00 0.00 N ATOM 8 CA ASP A 2 11.500 -1.018 -2.561 1.00 0.00 C ATOM 9 C ASP A 2 10.321 -1.860 -2.139 1.00 0.00 C ATOM 10 O ASP A 2 9.190 -1.450 -2.221 1.00 0.00 O ATOM 11 CB ASP A 2 11.955 -1.377 -3.997 1.00 0.00 C ATOM 12 CG ASP A 2 13.200 -2.269 -3.999 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.127 -3.356 -3.452 1.00 0.00 O ATOM 14 OD2 ASP A 2 14.205 -1.845 -4.546 1.00 0.00 O ATOM 15 H ASP A 2 13.376 -1.811 -1.900 1.00 0.00 H ATOM 16 HA ASP A 2 11.257 0.029 -2.493 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.153 -1.897 -4.500 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.173 -0.466 -4.534 1.00 0.00 H ATOM 19 N TRP A 3 10.611 -3.029 -1.628 1.00 0.00 N ATOM 20 CA TRP A 3 9.543 -3.925 -1.127 1.00 0.00 C ATOM 21 C TRP A 3 8.861 -3.241 0.067 1.00 0.00 C ATOM 22 O TRP A 3 7.754 -3.570 0.443 1.00 0.00 O ATOM 23 CB TRP A 3 10.275 -5.191 -0.673 1.00 0.00 C ATOM 24 CG TRP A 3 11.346 -4.767 0.264 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.123 -4.163 1.443 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.788 -4.887 0.126 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.320 -3.833 2.008 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.390 -4.284 1.254 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.624 -5.441 -0.860 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.777 -4.230 1.400 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.020 -5.395 -0.714 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.595 -4.792 0.414 1.00 0.00 C ATOM 33 H TRP A 3 11.546 -3.300 -1.543 1.00 0.00 H ATOM 34 HA TRP A 3 8.849 -4.153 -1.903 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.585 -5.857 -0.172 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.713 -5.688 -1.527 1.00 0.00 H ATOM 37 HD1 TRP A 3 10.154 -3.929 1.855 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.416 -3.353 2.844 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.189 -5.909 -1.733 1.00 0.00 H ATOM 40 HZ2 TRP A 3 15.214 -3.764 2.269 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.653 -5.828 -1.474 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.670 -4.759 0.520 1.00 0.00 H ATOM 43 N PHE A 4 9.538 -2.282 0.665 1.00 0.00 N ATOM 44 CA PHE A 4 8.970 -1.561 1.834 1.00 0.00 C ATOM 45 C PHE A 4 7.991 -0.531 1.315 1.00 0.00 C ATOM 46 O PHE A 4 6.806 -0.586 1.571 1.00 0.00 O ATOM 47 CB PHE A 4 10.161 -0.883 2.509 1.00 0.00 C ATOM 48 CG PHE A 4 9.938 -0.815 4.002 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.519 -1.952 4.701 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.157 0.387 4.688 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.318 -1.889 6.086 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.956 0.450 6.071 1.00 0.00 C ATOM 53 CZ PHE A 4 9.536 -0.688 6.771 1.00 0.00 C ATOM 54 H PHE A 4 10.423 -2.040 0.340 1.00 0.00 H ATOM 55 HA PHE A 4 8.496 -2.245 2.508 1.00 0.00 H ATOM 56 HB2 PHE A 4 11.055 -1.450 2.305 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.270 0.116 2.118 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.350 -2.880 4.173 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.482 1.264 4.149 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.993 -2.767 6.625 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.125 1.377 6.600 1.00 0.00 H ATOM 62 HZ PHE A 4 9.382 -0.639 7.839 1.00 0.00 H ATOM 63 N LYS A 5 8.478 0.379 0.528 1.00 0.00 N ATOM 64 CA LYS A 5 7.569 1.372 -0.075 1.00 0.00 C ATOM 65 C LYS A 5 6.658 0.617 -1.033 1.00 0.00 C ATOM 66 O LYS A 5 5.647 1.121 -1.481 1.00 0.00 O ATOM 67 CB LYS A 5 8.473 2.360 -0.811 1.00 0.00 C ATOM 68 CG LYS A 5 7.631 3.501 -1.386 1.00 0.00 C ATOM 69 CD LYS A 5 7.837 4.759 -0.539 1.00 0.00 C ATOM 70 CE LYS A 5 7.320 5.981 -1.302 1.00 0.00 C ATOM 71 NZ LYS A 5 6.806 6.904 -0.251 1.00 0.00 N ATOM 72 H LYS A 5 9.429 0.373 0.298 1.00 0.00 H ATOM 73 HA LYS A 5 6.991 1.871 0.681 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.197 2.762 -0.118 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.984 1.852 -1.613 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.938 3.695 -2.403 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.589 3.224 -1.369 1.00 0.00 H ATOM 78 HD2 LYS A 5 7.297 4.658 0.391 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.890 4.885 -0.331 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.125 6.446 -1.853 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.521 5.696 -1.968 1.00 0.00 H ATOM 82 HZ1 LYS A 5 5.780 6.771 -0.144 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.001 7.888 -0.528 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.277 6.697 0.652 1.00 0.00 H ATOM 85 N ALA A 6 6.996 -0.621 -1.316 1.00 0.00 N ATOM 86 CA ALA A 6 6.135 -1.435 -2.203 1.00 0.00 C ATOM 87 C ALA A 6 4.988 -1.992 -1.365 1.00 0.00 C ATOM 88 O ALA A 6 3.934 -2.329 -1.868 1.00 0.00 O ATOM 89 CB ALA A 6 7.033 -2.546 -2.711 1.00 0.00 C ATOM 90 H ALA A 6 7.805 -1.025 -0.915 1.00 0.00 H ATOM 91 HA ALA A 6 5.772 -0.848 -3.018 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.434 -3.351 -3.104 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.633 -2.904 -1.896 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.678 -2.159 -3.490 1.00 0.00 H ATOM 95 N PHE A 7 5.189 -2.064 -0.074 1.00 0.00 N ATOM 96 CA PHE A 7 4.126 -2.564 0.828 1.00 0.00 C ATOM 97 C PHE A 7 3.076 -1.472 0.994 1.00 0.00 C ATOM 98 O PHE A 7 1.893 -1.695 0.824 1.00 0.00 O ATOM 99 CB PHE A 7 4.828 -2.844 2.160 1.00 0.00 C ATOM 100 CG PHE A 7 5.402 -4.243 2.169 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.563 -4.950 0.972 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.769 -4.837 3.384 1.00 0.00 C ATOM 103 CE1 PHE A 7 6.087 -6.247 0.988 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.296 -6.134 3.400 1.00 0.00 C ATOM 105 CZ PHE A 7 6.454 -6.840 2.202 1.00 0.00 C ATOM 106 H PHE A 7 6.040 -1.769 0.302 1.00 0.00 H ATOM 107 HA PHE A 7 3.691 -3.458 0.439 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.625 -2.131 2.298 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.115 -2.744 2.964 1.00 0.00 H ATOM 110 HD1 PHE A 7 5.283 -4.493 0.034 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.652 -4.291 4.310 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.210 -6.793 0.064 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.579 -6.592 4.337 1.00 0.00 H ATOM 114 HZ PHE A 7 6.858 -7.841 2.213 1.00 0.00 H ATOM 115 N TYR A 8 3.509 -0.282 1.307 1.00 0.00 N ATOM 116 CA TYR A 8 2.547 0.837 1.465 1.00 0.00 C ATOM 117 C TYR A 8 1.868 1.106 0.126 1.00 0.00 C ATOM 118 O TYR A 8 0.758 1.594 0.062 1.00 0.00 O ATOM 119 CB TYR A 8 3.390 2.035 1.893 1.00 0.00 C ATOM 120 CG TYR A 8 2.485 3.185 2.264 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.954 4.009 1.265 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.179 3.428 3.609 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.118 5.077 1.611 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.343 4.496 3.954 1.00 0.00 C ATOM 125 CZ TYR A 8 0.813 5.320 2.955 1.00 0.00 C ATOM 126 OH TYR A 8 -0.011 6.374 3.295 1.00 0.00 O ATOM 127 H TYR A 8 4.468 -0.124 1.424 1.00 0.00 H ATOM 128 HA TYR A 8 1.823 0.604 2.218 1.00 0.00 H ATOM 129 HB2 TYR A 8 3.992 1.763 2.747 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.033 2.333 1.079 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.191 3.821 0.228 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.589 2.790 4.380 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.708 5.715 0.841 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.108 4.685 4.990 1.00 0.00 H ATOM 135 HH TYR A 8 0.030 6.486 4.247 1.00 0.00 H ATOM 136 N ASP A 9 2.537 0.786 -0.947 1.00 0.00 N ATOM 137 CA ASP A 9 1.944 1.017 -2.293 1.00 0.00 C ATOM 138 C ASP A 9 0.741 0.089 -2.518 1.00 0.00 C ATOM 139 O ASP A 9 -0.390 0.530 -2.631 1.00 0.00 O ATOM 140 CB ASP A 9 3.067 0.690 -3.278 1.00 0.00 C ATOM 141 CG ASP A 9 2.525 0.740 -4.708 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.357 1.056 -4.866 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.286 0.461 -5.619 1.00 0.00 O ATOM 144 H ASP A 9 3.436 0.395 -0.866 1.00 0.00 H ATOM 145 HA ASP A 9 1.652 2.046 -2.398 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.861 1.414 -3.170 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.450 -0.300 -3.074 1.00 0.00 H ATOM 148 N LYS A 10 0.976 -1.191 -2.596 1.00 0.00 N ATOM 149 CA LYS A 10 -0.142 -2.151 -2.826 1.00 0.00 C ATOM 150 C LYS A 10 -1.217 -2.026 -1.739 1.00 0.00 C ATOM 151 O LYS A 10 -2.394 -1.901 -2.031 1.00 0.00 O ATOM 152 CB LYS A 10 0.512 -3.528 -2.780 1.00 0.00 C ATOM 153 CG LYS A 10 1.360 -3.727 -4.038 1.00 0.00 C ATOM 154 CD LYS A 10 0.602 -4.619 -5.022 1.00 0.00 C ATOM 155 CE LYS A 10 -0.075 -3.752 -6.085 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.417 -4.696 -7.183 1.00 0.00 N ATOM 157 H LYS A 10 1.892 -1.524 -2.510 1.00 0.00 H ATOM 158 HA LYS A 10 -0.575 -1.992 -3.800 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.140 -3.598 -1.904 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.253 -4.288 -2.740 1.00 0.00 H ATOM 161 HG2 LYS A 10 1.556 -2.768 -4.497 1.00 0.00 H ATOM 162 HG3 LYS A 10 2.295 -4.197 -3.775 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.296 -5.297 -5.499 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.147 -5.184 -4.490 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.972 -3.297 -5.684 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.604 -2.995 -6.445 1.00 0.00 H ATOM 167 HZ1 LYS A 10 -0.787 -4.164 -7.996 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -1.137 -5.367 -6.849 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.436 -5.215 -7.472 1.00 0.00 H ATOM 170 N VAL A 11 -0.840 -2.058 -0.486 1.00 0.00 N ATOM 171 CA VAL A 11 -1.873 -1.942 0.578 1.00 0.00 C ATOM 172 C VAL A 11 -2.756 -0.732 0.287 1.00 0.00 C ATOM 173 O VAL A 11 -3.967 -0.805 0.348 1.00 0.00 O ATOM 174 CB VAL A 11 -1.108 -1.761 1.886 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.195 -2.966 2.116 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.257 -0.496 1.825 1.00 0.00 C ATOM 177 H VAL A 11 0.110 -2.156 -0.250 1.00 0.00 H ATOM 178 HA VAL A 11 -2.471 -2.840 0.620 1.00 0.00 H ATOM 179 HB VAL A 11 -1.812 -1.680 2.701 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.604 -3.583 2.901 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.788 -2.623 2.402 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.123 -3.542 1.205 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.494 -0.539 2.598 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.882 0.371 1.979 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.222 -0.429 0.859 1.00 0.00 H ATOM 186 N ALA A 12 -2.159 0.375 -0.052 1.00 0.00 N ATOM 187 CA ALA A 12 -2.969 1.579 -0.371 1.00 0.00 C ATOM 188 C ALA A 12 -3.957 1.236 -1.476 1.00 0.00 C ATOM 189 O ALA A 12 -5.034 1.788 -1.548 1.00 0.00 O ATOM 190 CB ALA A 12 -1.973 2.634 -0.833 1.00 0.00 C ATOM 191 H ALA A 12 -1.183 0.408 -0.110 1.00 0.00 H ATOM 192 HA ALA A 12 -3.491 1.923 0.498 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.025 2.167 -1.043 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.848 3.373 -0.054 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.348 3.111 -1.726 1.00 0.00 H ATOM 196 N GLU A 13 -3.606 0.317 -2.332 1.00 0.00 N ATOM 197 CA GLU A 13 -4.545 -0.069 -3.412 1.00 0.00 C ATOM 198 C GLU A 13 -5.792 -0.694 -2.788 1.00 0.00 C ATOM 199 O GLU A 13 -6.897 -0.531 -3.271 1.00 0.00 O ATOM 200 CB GLU A 13 -3.789 -1.087 -4.263 1.00 0.00 C ATOM 201 CG GLU A 13 -4.427 -1.170 -5.652 1.00 0.00 C ATOM 202 CD GLU A 13 -5.269 -2.443 -5.753 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.688 -3.502 -5.922 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.481 -2.338 -5.659 1.00 0.00 O ATOM 205 H GLU A 13 -2.735 -0.125 -2.255 1.00 0.00 H ATOM 206 HA GLU A 13 -4.808 0.787 -3.999 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.758 -0.781 -4.358 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.836 -2.056 -3.789 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.058 -0.308 -5.810 1.00 0.00 H ATOM 210 HG3 GLU A 13 -3.653 -1.193 -6.404 1.00 0.00 H ATOM 211 N LYS A 14 -5.633 -1.386 -1.696 1.00 0.00 N ATOM 212 CA LYS A 14 -6.808 -1.983 -1.045 1.00 0.00 C ATOM 213 C LYS A 14 -7.441 -0.933 -0.155 1.00 0.00 C ATOM 214 O LYS A 14 -8.600 -0.999 0.158 1.00 0.00 O ATOM 215 CB LYS A 14 -6.280 -3.154 -0.220 1.00 0.00 C ATOM 216 CG LYS A 14 -7.458 -3.977 0.307 1.00 0.00 C ATOM 217 CD LYS A 14 -8.120 -4.720 -0.855 1.00 0.00 C ATOM 218 CE LYS A 14 -9.588 -4.298 -0.961 1.00 0.00 C ATOM 219 NZ LYS A 14 -10.345 -5.359 -0.240 1.00 0.00 N ATOM 220 H LYS A 14 -4.753 -1.490 -1.295 1.00 0.00 H ATOM 221 HA LYS A 14 -7.505 -2.327 -1.780 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.653 -3.777 -0.841 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.705 -2.778 0.611 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.101 -4.689 1.038 1.00 0.00 H ATOM 225 HG3 LYS A 14 -8.179 -3.318 0.768 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.608 -4.480 -1.775 1.00 0.00 H ATOM 227 HD3 LYS A 14 -8.066 -5.785 -0.680 1.00 0.00 H ATOM 228 HE2 LYS A 14 -9.736 -3.337 -0.486 1.00 0.00 H ATOM 229 HE3 LYS A 14 -9.896 -4.259 -1.994 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -10.077 -6.290 -0.614 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -11.366 -5.209 -0.375 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -10.119 -5.317 0.773 1.00 0.00 H ATOM 233 N PHE A 15 -6.688 0.054 0.232 1.00 0.00 N ATOM 234 CA PHE A 15 -7.264 1.120 1.083 1.00 0.00 C ATOM 235 C PHE A 15 -8.283 1.891 0.256 1.00 0.00 C ATOM 236 O PHE A 15 -9.315 2.304 0.741 1.00 0.00 O ATOM 237 CB PHE A 15 -6.069 1.993 1.496 1.00 0.00 C ATOM 238 CG PHE A 15 -6.495 3.430 1.680 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.707 3.731 2.312 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.672 4.461 1.215 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.096 5.067 2.477 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.060 5.795 1.377 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.273 6.099 2.009 1.00 0.00 C ATOM 244 H PHE A 15 -5.753 0.102 -0.054 1.00 0.00 H ATOM 245 HA PHE A 15 -7.735 0.689 1.941 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.659 1.622 2.423 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.314 1.942 0.728 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.342 2.935 2.673 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.739 4.225 0.726 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.031 5.300 2.963 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.423 6.590 1.017 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.572 7.129 2.135 1.00 0.00 H ATOM 253 N LYS A 16 -8.008 2.059 -1.002 1.00 0.00 N ATOM 254 CA LYS A 16 -8.971 2.772 -1.872 1.00 0.00 C ATOM 255 C LYS A 16 -10.068 1.799 -2.297 1.00 0.00 C ATOM 256 O LYS A 16 -11.181 2.187 -2.588 1.00 0.00 O ATOM 257 CB LYS A 16 -8.159 3.264 -3.077 1.00 0.00 C ATOM 258 CG LYS A 16 -8.022 2.149 -4.123 1.00 0.00 C ATOM 259 CD LYS A 16 -9.196 2.209 -5.109 1.00 0.00 C ATOM 260 CE LYS A 16 -9.174 3.540 -5.864 1.00 0.00 C ATOM 261 NZ LYS A 16 -10.587 4.017 -5.852 1.00 0.00 N ATOM 262 H LYS A 16 -7.179 1.699 -1.374 1.00 0.00 H ATOM 263 HA LYS A 16 -9.391 3.607 -1.344 1.00 0.00 H ATOM 264 HB2 LYS A 16 -8.661 4.111 -3.520 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.176 3.564 -2.744 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.093 2.274 -4.663 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.021 1.190 -3.628 1.00 0.00 H ATOM 268 HD2 LYS A 16 -9.115 1.395 -5.815 1.00 0.00 H ATOM 269 HD3 LYS A 16 -10.124 2.120 -4.571 1.00 0.00 H ATOM 270 HE2 LYS A 16 -8.530 4.247 -5.361 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.845 3.389 -6.880 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -11.071 3.692 -6.714 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -10.601 5.058 -5.818 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -11.077 3.637 -5.018 1.00 0.00 H ATOM 275 N GLU A 17 -9.760 0.529 -2.326 1.00 0.00 N ATOM 276 CA GLU A 17 -10.788 -0.465 -2.720 1.00 0.00 C ATOM 277 C GLU A 17 -11.485 -0.997 -1.472 1.00 0.00 C ATOM 278 O GLU A 17 -12.507 -1.650 -1.538 1.00 0.00 O ATOM 279 CB GLU A 17 -10.038 -1.575 -3.453 1.00 0.00 C ATOM 280 CG GLU A 17 -11.035 -2.387 -4.281 1.00 0.00 C ATOM 281 CD GLU A 17 -10.808 -2.120 -5.771 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.345 -1.038 -6.098 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.106 -3.000 -6.561 1.00 0.00 O ATOM 284 H GLU A 17 -8.857 0.235 -2.076 1.00 0.00 H ATOM 285 HA GLU A 17 -11.499 -0.010 -3.377 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.297 -1.135 -4.106 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.555 -2.220 -2.736 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.900 -3.440 -4.077 1.00 0.00 H ATOM 289 HG3 GLU A 17 -12.040 -2.095 -4.016 1.00 0.00 H ATOM 290 N ALA A 18 -10.942 -0.692 -0.332 1.00 0.00 N ATOM 291 CA ALA A 18 -11.552 -1.129 0.940 1.00 0.00 C ATOM 292 C ALA A 18 -12.309 0.056 1.548 1.00 0.00 C ATOM 293 O ALA A 18 -13.190 -0.113 2.364 1.00 0.00 O ATOM 294 CB ALA A 18 -10.363 -1.538 1.812 1.00 0.00 C ATOM 295 H ALA A 18 -10.138 -0.151 -0.310 1.00 0.00 H ATOM 296 HA ALA A 18 -12.204 -1.964 0.776 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.738 -0.676 1.993 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.783 -2.295 1.298 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.715 -1.931 2.751 1.00 0.00 H ATOM 300 N PHE A 19 -11.951 1.253 1.127 1.00 0.00 N ATOM 301 CA PHE A 19 -12.603 2.512 1.631 1.00 0.00 C ATOM 302 C PHE A 19 -13.303 2.292 2.976 1.00 0.00 C ATOM 303 O PHE A 19 -14.451 2.654 3.149 1.00 0.00 O ATOM 304 CB PHE A 19 -13.616 2.904 0.551 1.00 0.00 C ATOM 305 CG PHE A 19 -14.528 1.739 0.266 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.175 0.798 -0.706 1.00 0.00 C ATOM 307 CD2 PHE A 19 -15.728 1.602 0.975 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.022 -0.283 -0.969 1.00 0.00 C ATOM 309 CE2 PHE A 19 -16.574 0.521 0.712 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.221 -0.422 -0.260 1.00 0.00 C ATOM 311 H PHE A 19 -11.237 1.325 0.457 1.00 0.00 H ATOM 312 HA PHE A 19 -11.866 3.294 1.728 1.00 0.00 H ATOM 313 HB2 PHE A 19 -14.202 3.744 0.893 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.091 3.176 -0.352 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.249 0.907 -1.252 1.00 0.00 H ATOM 316 HD2 PHE A 19 -15.999 2.331 1.724 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.751 -1.012 -1.720 1.00 0.00 H ATOM 318 HE2 PHE A 19 -17.499 0.414 1.259 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.874 -1.256 -0.461 1.00 0.00 H HETATM 320 N NH2 A 20 -12.650 1.717 3.949 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.085 1.578 4.815 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -11.725 1.425 3.812 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 61 HETATM 1 C ACE A 1 12.046 -0.596 0.047 1.00 0.00 C HETATM 2 O ACE A 1 10.963 -0.062 0.202 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.023 -0.758 1.201 1.00 0.00 C HETATM 4 H1 ACE A 1 13.196 -1.811 1.373 1.00 0.00 H HETATM 5 H2 ACE A 1 12.604 -0.313 2.089 1.00 0.00 H HETATM 6 H3 ACE A 1 13.953 -0.273 0.954 1.00 0.00 H ATOM 7 N ASP A 2 12.394 -1.096 -1.101 1.00 0.00 N ATOM 8 CA ASP A 2 11.460 -1.009 -2.235 1.00 0.00 C ATOM 9 C ASP A 2 10.245 -1.797 -1.816 1.00 0.00 C ATOM 10 O ASP A 2 9.124 -1.444 -2.101 1.00 0.00 O ATOM 11 CB ASP A 2 12.174 -1.674 -3.411 1.00 0.00 C ATOM 12 CG ASP A 2 12.901 -0.610 -4.238 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.560 0.553 -4.102 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.787 -0.978 -4.992 1.00 0.00 O ATOM 15 H ASP A 2 13.237 -1.560 -1.198 1.00 0.00 H ATOM 16 HA ASP A 2 11.211 0.009 -2.459 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.888 -2.390 -3.038 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.449 -2.175 -4.033 1.00 0.00 H ATOM 19 N TRP A 3 10.492 -2.852 -1.086 1.00 0.00 N ATOM 20 CA TRP A 3 9.394 -3.694 -0.573 1.00 0.00 C ATOM 21 C TRP A 3 8.540 -2.863 0.403 1.00 0.00 C ATOM 22 O TRP A 3 7.411 -3.191 0.687 1.00 0.00 O ATOM 23 CB TRP A 3 10.095 -4.843 0.173 1.00 0.00 C ATOM 24 CG TRP A 3 10.383 -4.366 1.547 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.081 -3.255 1.813 1.00 0.00 C ATOM 26 CD2 TRP A 3 9.964 -4.914 2.826 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.079 -3.038 3.163 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.433 -4.054 3.848 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.233 -6.054 3.200 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.181 -4.314 5.195 1.00 0.00 C ATOM 31 CZ3 TRP A 3 8.982 -6.324 4.555 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.456 -5.456 5.551 1.00 0.00 C ATOM 33 H TRP A 3 11.414 -3.070 -0.852 1.00 0.00 H ATOM 34 HA TRP A 3 8.810 -4.079 -1.374 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.446 -5.705 0.211 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.017 -5.096 -0.327 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.525 -2.605 1.076 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.493 -2.275 3.594 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.862 -6.727 2.441 1.00 0.00 H ATOM 40 HZ2 TRP A 3 10.549 -3.643 5.958 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.422 -7.205 4.832 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.259 -5.669 6.590 1.00 0.00 H ATOM 43 N PHE A 4 9.105 -1.797 0.930 1.00 0.00 N ATOM 44 CA PHE A 4 8.368 -0.943 1.903 1.00 0.00 C ATOM 45 C PHE A 4 7.376 -0.097 1.140 1.00 0.00 C ATOM 46 O PHE A 4 6.191 -0.127 1.391 1.00 0.00 O ATOM 47 CB PHE A 4 9.431 -0.069 2.570 1.00 0.00 C ATOM 48 CG PHE A 4 8.814 0.716 3.707 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.083 1.883 3.445 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.974 0.273 5.025 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.516 2.607 4.503 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.409 0.996 6.083 1.00 0.00 C ATOM 53 CZ PHE A 4 7.678 2.163 5.822 1.00 0.00 C ATOM 54 H PHE A 4 10.022 -1.566 0.688 1.00 0.00 H ATOM 55 HA PHE A 4 7.874 -1.549 2.636 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.220 -0.698 2.957 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.841 0.615 1.844 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.957 2.225 2.429 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.537 -0.625 5.228 1.00 0.00 H ATOM 60 HE1 PHE A 4 6.952 3.508 4.303 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.536 0.654 7.099 1.00 0.00 H ATOM 62 HZ PHE A 4 7.241 2.720 6.639 1.00 0.00 H ATOM 63 N LYS A 5 7.850 0.626 0.173 1.00 0.00 N ATOM 64 CA LYS A 5 6.924 1.428 -0.647 1.00 0.00 C ATOM 65 C LYS A 5 6.213 0.477 -1.607 1.00 0.00 C ATOM 66 O LYS A 5 5.268 0.837 -2.280 1.00 0.00 O ATOM 67 CB LYS A 5 7.801 2.420 -1.402 1.00 0.00 C ATOM 68 CG LYS A 5 8.222 3.542 -0.453 1.00 0.00 C ATOM 69 CD LYS A 5 9.552 4.131 -0.922 1.00 0.00 C ATOM 70 CE LYS A 5 9.336 4.888 -2.234 1.00 0.00 C ATOM 71 NZ LYS A 5 8.386 5.990 -1.903 1.00 0.00 N ATOM 72 H LYS A 5 8.808 0.608 -0.033 1.00 0.00 H ATOM 73 HA LYS A 5 6.221 1.946 -0.025 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.677 1.912 -1.775 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.244 2.839 -2.227 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.467 4.313 -0.451 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.337 3.146 0.545 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.929 4.809 -0.170 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.262 3.334 -1.080 1.00 0.00 H ATOM 80 HE2 LYS A 5 10.274 5.290 -2.590 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.900 4.235 -2.975 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.802 6.901 -2.181 1.00 0.00 H ATOM 83 HZ2 LYS A 5 8.194 5.992 -0.880 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.496 5.847 -2.422 1.00 0.00 H ATOM 85 N ALA A 6 6.673 -0.750 -1.663 1.00 0.00 N ATOM 86 CA ALA A 6 6.038 -1.741 -2.570 1.00 0.00 C ATOM 87 C ALA A 6 4.854 -2.418 -1.875 1.00 0.00 C ATOM 88 O ALA A 6 3.909 -2.837 -2.513 1.00 0.00 O ATOM 89 CB ALA A 6 7.139 -2.740 -2.869 1.00 0.00 C ATOM 90 H ALA A 6 7.439 -1.022 -1.102 1.00 0.00 H ATOM 91 HA ALA A 6 5.723 -1.267 -3.474 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.681 -2.940 -1.964 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.812 -2.321 -3.605 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.712 -3.653 -3.245 1.00 0.00 H ATOM 95 N PHE A 7 4.885 -2.506 -0.573 1.00 0.00 N ATOM 96 CA PHE A 7 3.752 -3.127 0.154 1.00 0.00 C ATOM 97 C PHE A 7 2.818 -2.011 0.614 1.00 0.00 C ATOM 98 O PHE A 7 1.627 -2.196 0.773 1.00 0.00 O ATOM 99 CB PHE A 7 4.382 -3.903 1.329 1.00 0.00 C ATOM 100 CG PHE A 7 4.459 -3.054 2.585 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.289 -2.719 3.277 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.701 -2.618 3.065 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.360 -1.946 4.443 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.773 -1.844 4.229 1.00 0.00 C ATOM 105 CZ PHE A 7 4.601 -1.508 4.918 1.00 0.00 C ATOM 106 H PHE A 7 5.636 -2.147 -0.077 1.00 0.00 H ATOM 107 HA PHE A 7 3.232 -3.803 -0.498 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.787 -4.778 1.533 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.378 -4.214 1.050 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.334 -3.052 2.911 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.605 -2.880 2.540 1.00 0.00 H ATOM 112 HE1 PHE A 7 2.458 -1.689 4.976 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.731 -1.507 4.595 1.00 0.00 H ATOM 114 HZ PHE A 7 4.655 -0.912 5.818 1.00 0.00 H ATOM 115 N TYR A 8 3.360 -0.836 0.779 1.00 0.00 N ATOM 116 CA TYR A 8 2.530 0.322 1.177 1.00 0.00 C ATOM 117 C TYR A 8 1.733 0.770 -0.045 1.00 0.00 C ATOM 118 O TYR A 8 0.631 1.269 0.063 1.00 0.00 O ATOM 119 CB TYR A 8 3.519 1.398 1.613 1.00 0.00 C ATOM 120 CG TYR A 8 2.914 2.215 2.730 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.566 1.601 3.940 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.703 3.587 2.557 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.007 2.361 4.975 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.144 4.346 3.592 1.00 0.00 C ATOM 125 CZ TYR A 8 1.796 3.733 4.801 1.00 0.00 C ATOM 126 OH TYR A 8 1.247 4.482 5.822 1.00 0.00 O ATOM 127 H TYR A 8 4.310 -0.713 0.609 1.00 0.00 H ATOM 128 HA TYR A 8 1.881 0.062 1.988 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.426 0.930 1.960 1.00 0.00 H ATOM 130 HB3 TYR A 8 3.741 2.042 0.778 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.728 0.541 4.075 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.970 4.061 1.623 1.00 0.00 H ATOM 133 HE1 TYR A 8 1.738 1.887 5.909 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.981 5.406 3.455 1.00 0.00 H ATOM 135 HH TYR A 8 1.450 5.406 5.656 1.00 0.00 H ATOM 136 N ASP A 9 2.283 0.560 -1.214 1.00 0.00 N ATOM 137 CA ASP A 9 1.563 0.925 -2.456 1.00 0.00 C ATOM 138 C ASP A 9 0.490 -0.132 -2.712 1.00 0.00 C ATOM 139 O ASP A 9 -0.665 0.176 -2.927 1.00 0.00 O ATOM 140 CB ASP A 9 2.618 0.908 -3.556 1.00 0.00 C ATOM 141 CG ASP A 9 3.100 2.335 -3.825 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.277 3.235 -3.787 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.285 2.503 -4.062 1.00 0.00 O ATOM 144 H ASP A 9 3.163 0.138 -1.273 1.00 0.00 H ATOM 145 HA ASP A 9 1.131 1.902 -2.368 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.451 0.298 -3.243 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.188 0.500 -4.458 1.00 0.00 H ATOM 148 N LYS A 10 0.869 -1.383 -2.654 1.00 0.00 N ATOM 149 CA LYS A 10 -0.119 -2.479 -2.853 1.00 0.00 C ATOM 150 C LYS A 10 -1.209 -2.362 -1.784 1.00 0.00 C ATOM 151 O LYS A 10 -2.369 -2.139 -2.079 1.00 0.00 O ATOM 152 CB LYS A 10 0.684 -3.770 -2.674 1.00 0.00 C ATOM 153 CG LYS A 10 -0.268 -4.951 -2.486 1.00 0.00 C ATOM 154 CD LYS A 10 0.477 -6.257 -2.773 1.00 0.00 C ATOM 155 CE LYS A 10 0.749 -6.999 -1.459 1.00 0.00 C ATOM 156 NZ LYS A 10 1.954 -6.341 -0.879 1.00 0.00 N ATOM 157 H LYS A 10 1.805 -1.601 -2.458 1.00 0.00 H ATOM 158 HA LYS A 10 -0.543 -2.434 -3.842 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.297 -3.938 -3.547 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.319 -3.681 -1.802 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.636 -4.960 -1.470 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.099 -4.856 -3.169 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.125 -6.879 -3.420 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.415 -6.037 -3.260 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.095 -6.900 -0.791 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.956 -8.041 -1.652 1.00 0.00 H ATOM 167 HZ1 LYS A 10 2.370 -5.691 -1.576 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.655 -7.068 -0.624 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.684 -5.808 -0.029 1.00 0.00 H ATOM 170 N VAL A 11 -0.838 -2.482 -0.539 1.00 0.00 N ATOM 171 CA VAL A 11 -1.849 -2.346 0.541 1.00 0.00 C ATOM 172 C VAL A 11 -2.649 -1.069 0.291 1.00 0.00 C ATOM 173 O VAL A 11 -3.855 -1.028 0.437 1.00 0.00 O ATOM 174 CB VAL A 11 -1.033 -2.244 1.833 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.466 -0.829 1.986 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.927 -2.571 3.031 1.00 0.00 C ATOM 177 H VAL A 11 0.103 -2.642 -0.316 1.00 0.00 H ATOM 178 HA VAL A 11 -2.497 -3.206 0.570 1.00 0.00 H ATOM 179 HB VAL A 11 -0.217 -2.947 1.789 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.200 -0.618 1.162 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.080 -0.759 2.915 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.276 -0.115 1.988 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.850 -2.013 2.957 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.416 -2.302 3.943 1.00 0.00 H ATOM 185 HG23 VAL A 11 -2.145 -3.628 3.039 1.00 0.00 H ATOM 186 N ALA A 12 -1.969 -0.029 -0.105 1.00 0.00 N ATOM 187 CA ALA A 12 -2.666 1.250 -0.392 1.00 0.00 C ATOM 188 C ALA A 12 -3.710 1.029 -1.476 1.00 0.00 C ATOM 189 O ALA A 12 -4.732 1.675 -1.494 1.00 0.00 O ATOM 190 CB ALA A 12 -1.584 2.213 -0.861 1.00 0.00 C ATOM 191 H ALA A 12 -1.002 -0.099 -0.226 1.00 0.00 H ATOM 192 HA ALA A 12 -3.133 1.632 0.496 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.032 2.991 -1.458 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.856 1.676 -1.450 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.102 2.653 -0.001 1.00 0.00 H ATOM 196 N GLU A 13 -3.486 0.098 -2.368 1.00 0.00 N ATOM 197 CA GLU A 13 -4.513 -0.157 -3.406 1.00 0.00 C ATOM 198 C GLU A 13 -5.761 -0.645 -2.687 1.00 0.00 C ATOM 199 O GLU A 13 -6.880 -0.354 -3.068 1.00 0.00 O ATOM 200 CB GLU A 13 -3.940 -1.243 -4.320 1.00 0.00 C ATOM 201 CG GLU A 13 -4.825 -1.379 -5.565 1.00 0.00 C ATOM 202 CD GLU A 13 -3.953 -1.623 -6.799 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.290 -2.646 -6.841 1.00 0.00 O ATOM 204 OE2 GLU A 13 -3.967 -0.783 -7.685 1.00 0.00 O ATOM 205 H GLU A 13 -2.670 -0.438 -2.334 1.00 0.00 H ATOM 206 HA GLU A 13 -4.715 0.738 -3.964 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.938 -0.973 -4.615 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.922 -2.182 -3.790 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.504 -2.209 -5.434 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.393 -0.472 -5.704 1.00 0.00 H ATOM 211 N LYS A 14 -5.563 -1.357 -1.610 1.00 0.00 N ATOM 212 CA LYS A 14 -6.709 -1.840 -0.816 1.00 0.00 C ATOM 213 C LYS A 14 -7.234 -0.685 0.029 1.00 0.00 C ATOM 214 O LYS A 14 -8.371 -0.659 0.428 1.00 0.00 O ATOM 215 CB LYS A 14 -6.150 -2.960 0.059 1.00 0.00 C ATOM 216 CG LYS A 14 -7.299 -3.824 0.573 1.00 0.00 C ATOM 217 CD LYS A 14 -6.980 -5.300 0.327 1.00 0.00 C ATOM 218 CE LYS A 14 -7.892 -5.841 -0.777 1.00 0.00 C ATOM 219 NZ LYS A 14 -9.226 -5.991 -0.133 1.00 0.00 N ATOM 220 H LYS A 14 -4.654 -1.550 -1.313 1.00 0.00 H ATOM 221 HA LYS A 14 -7.475 -2.217 -1.461 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.474 -3.568 -0.524 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.622 -2.532 0.897 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.432 -3.655 1.631 1.00 0.00 H ATOM 225 HG3 LYS A 14 -8.207 -3.562 0.050 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.946 -5.401 0.026 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.148 -5.860 1.233 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.944 -5.138 -1.598 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.539 -6.800 -1.123 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -9.114 -6.016 0.900 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -9.668 -6.875 -0.457 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -9.829 -5.185 -0.394 1.00 0.00 H ATOM 233 N PHE A 15 -6.418 0.290 0.291 1.00 0.00 N ATOM 234 CA PHE A 15 -6.903 1.443 1.087 1.00 0.00 C ATOM 235 C PHE A 15 -7.823 2.285 0.208 1.00 0.00 C ATOM 236 O PHE A 15 -8.776 2.888 0.665 1.00 0.00 O ATOM 237 CB PHE A 15 -5.649 2.222 1.475 1.00 0.00 C ATOM 238 CG PHE A 15 -5.761 2.693 2.905 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.017 1.771 3.925 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.605 4.051 3.209 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.120 2.205 5.250 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.707 4.486 4.537 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.963 3.563 5.558 1.00 0.00 C ATOM 244 H PHE A 15 -5.500 0.273 -0.045 1.00 0.00 H ATOM 245 HA PHE A 15 -7.420 1.101 1.957 1.00 0.00 H ATOM 246 HB2 PHE A 15 -4.788 1.581 1.375 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.542 3.075 0.824 1.00 0.00 H ATOM 248 HD1 PHE A 15 -6.137 0.724 3.688 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.404 4.762 2.421 1.00 0.00 H ATOM 250 HE1 PHE A 15 -6.316 1.492 6.037 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.587 5.533 4.773 1.00 0.00 H ATOM 252 HZ PHE A 15 -6.042 3.896 6.581 1.00 0.00 H ATOM 253 N LYS A 16 -7.542 2.307 -1.061 1.00 0.00 N ATOM 254 CA LYS A 16 -8.379 3.082 -2.006 1.00 0.00 C ATOM 255 C LYS A 16 -9.607 2.260 -2.386 1.00 0.00 C ATOM 256 O LYS A 16 -10.627 2.789 -2.782 1.00 0.00 O ATOM 257 CB LYS A 16 -7.479 3.314 -3.219 1.00 0.00 C ATOM 258 CG LYS A 16 -8.069 4.415 -4.101 1.00 0.00 C ATOM 259 CD LYS A 16 -7.113 4.708 -5.260 1.00 0.00 C ATOM 260 CE LYS A 16 -7.857 4.547 -6.588 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.777 5.883 -7.241 1.00 0.00 N ATOM 262 H LYS A 16 -6.782 1.799 -1.394 1.00 0.00 H ATOM 263 HA LYS A 16 -8.664 4.016 -1.569 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.494 3.611 -2.883 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.403 2.401 -3.789 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.023 4.089 -4.491 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.206 5.311 -3.515 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.740 5.720 -5.174 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.285 4.017 -5.228 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.376 3.794 -7.200 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.888 4.284 -6.409 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.781 6.133 -7.399 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.221 6.595 -6.625 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.275 5.854 -8.152 1.00 0.00 H ATOM 275 N GLU A 17 -9.518 0.966 -2.251 1.00 0.00 N ATOM 276 CA GLU A 17 -10.675 0.100 -2.585 1.00 0.00 C ATOM 277 C GLU A 17 -11.388 -0.295 -1.295 1.00 0.00 C ATOM 278 O GLU A 17 -12.565 -0.054 -1.114 1.00 0.00 O ATOM 279 CB GLU A 17 -10.075 -1.123 -3.279 1.00 0.00 C ATOM 280 CG GLU A 17 -11.194 -2.078 -3.693 1.00 0.00 C ATOM 281 CD GLU A 17 -11.051 -2.421 -5.176 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.960 -2.261 -5.700 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.034 -2.843 -5.763 1.00 0.00 O ATOM 284 H GLU A 17 -8.692 0.565 -1.917 1.00 0.00 H ATOM 285 HA GLU A 17 -11.341 0.614 -3.247 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.528 -0.806 -4.155 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.406 -1.629 -2.600 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.131 -2.982 -3.104 1.00 0.00 H ATOM 289 HG3 GLU A 17 -12.149 -1.605 -3.526 1.00 0.00 H ATOM 290 N ALA A 18 -10.667 -0.890 -0.391 1.00 0.00 N ATOM 291 CA ALA A 18 -11.263 -1.292 0.909 1.00 0.00 C ATOM 292 C ALA A 18 -11.745 -0.049 1.662 1.00 0.00 C ATOM 293 O ALA A 18 -12.599 -0.124 2.522 1.00 0.00 O ATOM 294 CB ALA A 18 -10.123 -1.965 1.673 1.00 0.00 C ATOM 295 H ALA A 18 -9.724 -1.062 -0.565 1.00 0.00 H ATOM 296 HA ALA A 18 -12.071 -1.987 0.758 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.527 -2.670 2.380 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.548 -1.214 2.196 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.479 -2.483 0.975 1.00 0.00 H ATOM 300 N PHE A 19 -11.201 1.098 1.343 1.00 0.00 N ATOM 301 CA PHE A 19 -11.626 2.340 2.037 1.00 0.00 C ATOM 302 C PHE A 19 -12.020 3.412 1.014 1.00 0.00 C ATOM 303 O PHE A 19 -13.178 3.555 0.678 1.00 0.00 O ATOM 304 CB PHE A 19 -10.414 2.780 2.847 1.00 0.00 C ATOM 305 CG PHE A 19 -10.639 2.471 4.308 1.00 0.00 C ATOM 306 CD1 PHE A 19 -10.957 1.168 4.707 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.518 3.487 5.263 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.160 0.881 6.061 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.719 3.200 6.617 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.039 1.896 7.018 1.00 0.00 C ATOM 311 H PHE A 19 -10.514 1.145 0.651 1.00 0.00 H ATOM 312 HA PHE A 19 -12.442 2.128 2.692 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.541 2.251 2.499 1.00 0.00 H ATOM 314 HB3 PHE A 19 -10.266 3.841 2.724 1.00 0.00 H ATOM 315 HD1 PHE A 19 -11.050 0.385 3.969 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.273 4.491 4.954 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.408 -0.124 6.369 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.626 3.983 7.355 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.193 1.674 8.064 1.00 0.00 H HETATM 320 N NH2 A 20 -11.096 4.175 0.494 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.339 4.856 -0.168 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -10.158 4.064 0.760 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 62 HETATM 1 C ACE A 1 12.094 -0.871 -0.993 1.00 0.00 C HETATM 2 O ACE A 1 11.116 -0.195 -1.246 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.095 -0.447 0.073 1.00 0.00 C HETATM 4 H1 ACE A 1 12.597 0.173 0.802 1.00 0.00 H HETATM 5 H2 ACE A 1 13.898 0.102 -0.386 1.00 0.00 H HETATM 6 H3 ACE A 1 13.489 -1.329 0.559 1.00 0.00 H ATOM 7 N ASP A 2 12.301 -2.010 -1.582 1.00 0.00 N ATOM 8 CA ASP A 2 11.336 -2.502 -2.579 1.00 0.00 C ATOM 9 C ASP A 2 10.157 -2.999 -1.779 1.00 0.00 C ATOM 10 O ASP A 2 9.020 -2.889 -2.173 1.00 0.00 O ATOM 11 CB ASP A 2 12.040 -3.645 -3.309 1.00 0.00 C ATOM 12 CG ASP A 2 11.990 -3.399 -4.821 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.860 -2.702 -5.316 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.085 -3.914 -5.457 1.00 0.00 O ATOM 15 H ASP A 2 13.055 -2.558 -1.330 1.00 0.00 H ATOM 16 HA ASP A 2 11.053 -1.726 -3.260 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.068 -3.692 -2.987 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.544 -4.574 -3.082 1.00 0.00 H ATOM 19 N TRP A 3 10.460 -3.504 -0.614 1.00 0.00 N ATOM 20 CA TRP A 3 9.421 -3.997 0.311 1.00 0.00 C ATOM 21 C TRP A 3 8.681 -2.799 0.922 1.00 0.00 C ATOM 22 O TRP A 3 7.580 -2.921 1.414 1.00 0.00 O ATOM 23 CB TRP A 3 10.211 -4.732 1.397 1.00 0.00 C ATOM 24 CG TRP A 3 11.157 -3.739 1.974 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.778 -2.667 2.688 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.609 -3.684 1.888 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.877 -1.907 2.972 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.044 -2.505 2.537 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.579 -4.522 1.309 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.393 -2.163 2.607 1.00 0.00 C ATOM 31 CZ3 TRP A 3 14.942 -4.186 1.384 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.347 -3.010 2.031 1.00 0.00 C ATOM 33 H TRP A 3 11.395 -3.535 -0.337 1.00 0.00 H ATOM 34 HA TRP A 3 8.759 -4.658 -0.187 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.540 -5.096 2.162 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.760 -5.553 0.962 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.759 -2.407 2.936 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.848 -1.058 3.438 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.277 -5.429 0.808 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.700 -1.256 3.105 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.680 -4.838 0.941 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.396 -2.756 2.086 1.00 0.00 H ATOM 43 N PHE A 4 9.308 -1.642 0.912 1.00 0.00 N ATOM 44 CA PHE A 4 8.683 -0.431 1.500 1.00 0.00 C ATOM 45 C PHE A 4 7.671 0.088 0.508 1.00 0.00 C ATOM 46 O PHE A 4 6.485 0.128 0.761 1.00 0.00 O ATOM 47 CB PHE A 4 9.829 0.565 1.680 1.00 0.00 C ATOM 48 CG PHE A 4 9.463 1.597 2.721 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.267 2.317 2.612 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.332 1.840 3.791 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.941 3.281 3.576 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.007 2.805 4.752 1.00 0.00 C ATOM 53 CZ PHE A 4 8.812 3.525 4.646 1.00 0.00 C ATOM 54 H PHE A 4 10.200 -1.576 0.524 1.00 0.00 H ATOM 55 HA PHE A 4 8.231 -0.655 2.445 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.716 0.036 1.996 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.021 1.059 0.740 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.596 2.128 1.789 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.255 1.284 3.876 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.018 3.836 3.495 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.679 2.991 5.577 1.00 0.00 H ATOM 62 HZ PHE A 4 8.563 4.269 5.388 1.00 0.00 H ATOM 63 N LYS A 5 8.139 0.432 -0.649 1.00 0.00 N ATOM 64 CA LYS A 5 7.216 0.889 -1.701 1.00 0.00 C ATOM 65 C LYS A 5 6.271 -0.270 -2.016 1.00 0.00 C ATOM 66 O LYS A 5 5.224 -0.102 -2.611 1.00 0.00 O ATOM 67 CB LYS A 5 8.115 1.199 -2.898 1.00 0.00 C ATOM 68 CG LYS A 5 7.254 1.540 -4.113 1.00 0.00 C ATOM 69 CD LYS A 5 8.158 1.935 -5.282 1.00 0.00 C ATOM 70 CE LYS A 5 7.370 2.803 -6.267 1.00 0.00 C ATOM 71 NZ LYS A 5 8.329 3.113 -7.366 1.00 0.00 N ATOM 72 H LYS A 5 9.098 0.345 -0.836 1.00 0.00 H ATOM 73 HA LYS A 5 6.679 1.765 -1.392 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.751 2.040 -2.663 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.725 0.337 -3.122 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.663 0.678 -4.387 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.600 2.365 -3.869 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.006 2.491 -4.909 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.505 1.044 -5.785 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.520 2.254 -6.650 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.047 3.716 -5.790 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.260 3.336 -6.962 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.980 3.929 -7.908 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.412 2.289 -7.995 1.00 0.00 H ATOM 85 N ALA A 6 6.655 -1.459 -1.614 1.00 0.00 N ATOM 86 CA ALA A 6 5.817 -2.655 -1.895 1.00 0.00 C ATOM 87 C ALA A 6 4.642 -2.778 -0.926 1.00 0.00 C ATOM 88 O ALA A 6 3.570 -3.219 -1.296 1.00 0.00 O ATOM 89 CB ALA A 6 6.772 -3.826 -1.717 1.00 0.00 C ATOM 90 H ALA A 6 7.512 -1.568 -1.131 1.00 0.00 H ATOM 91 HA ALA A 6 5.468 -2.634 -2.903 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.304 -3.997 -2.642 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.218 -4.710 -1.448 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.479 -3.588 -0.938 1.00 0.00 H ATOM 95 N PHE A 7 4.821 -2.419 0.310 1.00 0.00 N ATOM 96 CA PHE A 7 3.698 -2.561 1.267 1.00 0.00 C ATOM 97 C PHE A 7 2.791 -1.332 1.246 1.00 0.00 C ATOM 98 O PHE A 7 1.586 -1.457 1.245 1.00 0.00 O ATOM 99 CB PHE A 7 4.347 -2.774 2.644 1.00 0.00 C ATOM 100 CG PHE A 7 4.713 -1.449 3.269 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.714 -0.624 3.797 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.051 -1.048 3.321 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.054 0.604 4.373 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.392 0.179 3.899 1.00 0.00 C ATOM 105 CZ PHE A 7 5.394 1.006 4.424 1.00 0.00 C ATOM 106 H PHE A 7 5.684 -2.078 0.607 1.00 0.00 H ATOM 107 HA PHE A 7 3.128 -3.427 1.004 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.654 -3.291 3.289 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.239 -3.371 2.529 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.682 -0.934 3.757 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.822 -1.689 2.918 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.283 1.241 4.779 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.426 0.489 3.938 1.00 0.00 H ATOM 114 HZ PHE A 7 5.656 1.954 4.868 1.00 0.00 H ATOM 115 N TYR A 8 3.338 -0.151 1.232 1.00 0.00 N ATOM 116 CA TYR A 8 2.461 1.048 1.216 1.00 0.00 C ATOM 117 C TYR A 8 1.772 1.183 -0.151 1.00 0.00 C ATOM 118 O TYR A 8 0.729 1.795 -0.267 1.00 0.00 O ATOM 119 CB TYR A 8 3.384 2.244 1.518 1.00 0.00 C ATOM 120 CG TYR A 8 3.667 3.016 0.252 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.691 3.868 -0.280 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.886 2.855 -0.400 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.942 4.562 -1.466 1.00 0.00 C ATOM 124 CE2 TYR A 8 5.139 3.545 -1.591 1.00 0.00 C ATOM 125 CZ TYR A 8 4.167 4.399 -2.124 1.00 0.00 C ATOM 126 OH TYR A 8 4.412 5.074 -3.301 1.00 0.00 O ATOM 127 H TYR A 8 4.311 -0.054 1.236 1.00 0.00 H ATOM 128 HA TYR A 8 1.720 0.961 1.993 1.00 0.00 H ATOM 129 HB2 TYR A 8 2.904 2.896 2.232 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.314 1.882 1.932 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.746 3.994 0.229 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.636 2.200 0.018 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.191 5.220 -1.875 1.00 0.00 H ATOM 134 HE2 TYR A 8 6.083 3.420 -2.097 1.00 0.00 H ATOM 135 HH TYR A 8 4.261 4.464 -4.027 1.00 0.00 H ATOM 136 N ASP A 9 2.343 0.626 -1.189 1.00 0.00 N ATOM 137 CA ASP A 9 1.697 0.746 -2.525 1.00 0.00 C ATOM 138 C ASP A 9 0.508 -0.207 -2.614 1.00 0.00 C ATOM 139 O ASP A 9 -0.588 0.177 -2.968 1.00 0.00 O ATOM 140 CB ASP A 9 2.770 0.356 -3.540 1.00 0.00 C ATOM 141 CG ASP A 9 2.217 0.537 -4.955 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.080 0.155 -5.181 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.941 1.056 -5.791 1.00 0.00 O ATOM 144 H ASP A 9 3.189 0.134 -1.093 1.00 0.00 H ATOM 145 HA ASP A 9 1.385 1.758 -2.695 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.636 0.987 -3.406 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.046 -0.676 -3.393 1.00 0.00 H ATOM 148 N LYS A 10 0.722 -1.451 -2.296 1.00 0.00 N ATOM 149 CA LYS A 10 -0.389 -2.437 -2.364 1.00 0.00 C ATOM 150 C LYS A 10 -1.475 -2.111 -1.332 1.00 0.00 C ATOM 151 O LYS A 10 -2.650 -2.247 -1.593 1.00 0.00 O ATOM 152 CB LYS A 10 0.262 -3.776 -2.035 1.00 0.00 C ATOM 153 CG LYS A 10 -0.456 -4.902 -2.783 1.00 0.00 C ATOM 154 CD LYS A 10 0.548 -6.014 -3.093 1.00 0.00 C ATOM 155 CE LYS A 10 -0.159 -7.155 -3.827 1.00 0.00 C ATOM 156 NZ LYS A 10 0.264 -7.018 -5.249 1.00 0.00 N ATOM 157 H LYS A 10 1.619 -1.741 -2.018 1.00 0.00 H ATOM 158 HA LYS A 10 -0.802 -2.468 -3.354 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.299 -3.750 -2.333 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.195 -3.952 -0.974 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.252 -5.295 -2.165 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.867 -4.521 -3.705 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.339 -5.620 -3.716 1.00 0.00 H ATOM 164 HD3 LYS A 10 0.967 -6.388 -2.171 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.157 -8.110 -3.428 1.00 0.00 H ATOM 166 HE3 LYS A 10 -1.230 -7.051 -3.748 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.294 -6.884 -5.293 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.211 -6.195 -5.673 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.006 -7.877 -5.773 1.00 0.00 H ATOM 170 N VAL A 11 -1.095 -1.713 -0.148 1.00 0.00 N ATOM 171 CA VAL A 11 -2.116 -1.427 0.897 1.00 0.00 C ATOM 172 C VAL A 11 -2.835 -0.096 0.668 1.00 0.00 C ATOM 173 O VAL A 11 -4.041 -0.010 0.786 1.00 0.00 O ATOM 174 CB VAL A 11 -1.343 -1.398 2.215 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.517 -2.678 2.347 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.415 -0.180 2.253 1.00 0.00 C ATOM 177 H VAL A 11 -0.144 -1.632 0.061 1.00 0.00 H ATOM 178 HA VAL A 11 -2.832 -2.222 0.921 1.00 0.00 H ATOM 179 HB VAL A 11 -2.043 -1.337 3.031 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.998 -3.347 3.044 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.470 -2.435 2.707 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.441 -3.157 1.381 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.995 0.706 2.469 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.074 -0.064 1.298 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.331 -0.318 3.022 1.00 0.00 H ATOM 186 N ALA A 12 -2.121 0.945 0.379 1.00 0.00 N ATOM 187 CA ALA A 12 -2.787 2.260 0.181 1.00 0.00 C ATOM 188 C ALA A 12 -3.702 2.241 -1.041 1.00 0.00 C ATOM 189 O ALA A 12 -4.662 2.983 -1.117 1.00 0.00 O ATOM 190 CB ALA A 12 -1.657 3.263 0.001 1.00 0.00 C ATOM 191 H ALA A 12 -1.151 0.871 0.314 1.00 0.00 H ATOM 192 HA ALA A 12 -3.353 2.508 1.050 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.338 3.261 -1.028 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.830 2.987 0.639 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.009 4.247 0.271 1.00 0.00 H ATOM 196 N GLU A 13 -3.437 1.392 -1.986 1.00 0.00 N ATOM 197 CA GLU A 13 -4.322 1.335 -3.177 1.00 0.00 C ATOM 198 C GLU A 13 -5.502 0.417 -2.877 1.00 0.00 C ATOM 199 O GLU A 13 -6.594 0.582 -3.394 1.00 0.00 O ATOM 200 CB GLU A 13 -3.461 0.765 -4.302 1.00 0.00 C ATOM 201 CG GLU A 13 -2.529 1.852 -4.838 1.00 0.00 C ATOM 202 CD GLU A 13 -2.675 1.950 -6.357 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.613 2.590 -6.803 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.845 1.384 -7.052 1.00 0.00 O ATOM 205 H GLU A 13 -2.675 0.785 -1.906 1.00 0.00 H ATOM 206 HA GLU A 13 -4.660 2.318 -3.430 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.876 -0.058 -3.922 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.099 0.417 -5.098 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.786 2.800 -4.389 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.508 1.602 -4.592 1.00 0.00 H ATOM 211 N LYS A 14 -5.293 -0.537 -2.016 1.00 0.00 N ATOM 212 CA LYS A 14 -6.391 -1.461 -1.660 1.00 0.00 C ATOM 213 C LYS A 14 -7.148 -0.890 -0.476 1.00 0.00 C ATOM 214 O LYS A 14 -8.263 -1.260 -0.190 1.00 0.00 O ATOM 215 CB LYS A 14 -5.716 -2.783 -1.300 1.00 0.00 C ATOM 216 CG LYS A 14 -5.117 -3.410 -2.562 1.00 0.00 C ATOM 217 CD LYS A 14 -5.684 -4.817 -2.760 1.00 0.00 C ATOM 218 CE LYS A 14 -5.259 -5.340 -4.136 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.962 -6.790 -3.948 1.00 0.00 N ATOM 220 H LYS A 14 -4.421 -0.630 -1.589 1.00 0.00 H ATOM 221 HA LYS A 14 -7.044 -1.592 -2.495 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.933 -2.602 -0.577 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.448 -3.455 -0.879 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.364 -2.799 -3.418 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.045 -3.472 -2.460 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.305 -5.472 -1.988 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.762 -4.781 -2.708 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.064 -5.211 -4.847 1.00 0.00 H ATOM 229 HE3 LYS A 14 -4.374 -4.825 -4.476 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -4.005 -6.995 -4.296 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.654 -7.354 -4.483 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.019 -7.037 -2.940 1.00 0.00 H ATOM 233 N PHE A 15 -6.562 0.040 0.204 1.00 0.00 N ATOM 234 CA PHE A 15 -7.267 0.649 1.341 1.00 0.00 C ATOM 235 C PHE A 15 -8.155 1.754 0.803 1.00 0.00 C ATOM 236 O PHE A 15 -9.213 2.037 1.322 1.00 0.00 O ATOM 237 CB PHE A 15 -6.174 1.190 2.251 1.00 0.00 C ATOM 238 CG PHE A 15 -5.761 0.108 3.217 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.415 -1.163 2.739 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.731 0.371 4.589 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.037 -2.168 3.637 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.354 -0.634 5.487 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.007 -1.903 5.011 1.00 0.00 C ATOM 244 H PHE A 15 -5.674 0.353 -0.048 1.00 0.00 H ATOM 245 HA PHE A 15 -7.848 -0.088 1.853 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.325 1.489 1.655 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.551 2.039 2.800 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.438 -1.367 1.680 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.998 1.352 4.956 1.00 0.00 H ATOM 250 HE1 PHE A 15 -4.768 -3.149 3.269 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.331 -0.430 6.546 1.00 0.00 H ATOM 252 HZ PHE A 15 -4.718 -2.679 5.704 1.00 0.00 H ATOM 253 N LYS A 16 -7.751 2.361 -0.271 1.00 0.00 N ATOM 254 CA LYS A 16 -8.597 3.416 -0.857 1.00 0.00 C ATOM 255 C LYS A 16 -9.661 2.756 -1.723 1.00 0.00 C ATOM 256 O LYS A 16 -10.720 3.303 -1.954 1.00 0.00 O ATOM 257 CB LYS A 16 -7.656 4.282 -1.688 1.00 0.00 C ATOM 258 CG LYS A 16 -8.184 5.717 -1.723 1.00 0.00 C ATOM 259 CD LYS A 16 -7.554 6.524 -0.586 1.00 0.00 C ATOM 260 CE LYS A 16 -8.256 7.881 -0.476 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.452 8.098 0.985 1.00 0.00 N ATOM 262 H LYS A 16 -6.912 2.102 -0.702 1.00 0.00 H ATOM 263 HA LYS A 16 -9.049 3.994 -0.079 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.673 4.269 -1.243 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.606 3.896 -2.693 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.930 6.170 -2.670 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.257 5.709 -1.603 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.663 5.984 0.344 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.505 6.678 -0.791 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.632 8.658 -0.894 1.00 0.00 H ATOM 271 HE3 LYS A 16 -9.210 7.852 -0.977 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.697 7.197 1.440 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -9.222 8.784 1.131 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.575 8.468 1.401 1.00 0.00 H ATOM 275 N GLU A 17 -9.388 1.568 -2.192 1.00 0.00 N ATOM 276 CA GLU A 17 -10.385 0.862 -3.026 1.00 0.00 C ATOM 277 C GLU A 17 -11.133 -0.172 -2.188 1.00 0.00 C ATOM 278 O GLU A 17 -12.347 -0.181 -2.124 1.00 0.00 O ATOM 279 CB GLU A 17 -9.579 0.181 -4.129 1.00 0.00 C ATOM 280 CG GLU A 17 -10.499 -0.142 -5.306 1.00 0.00 C ATOM 281 CD GLU A 17 -10.708 1.117 -6.149 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.893 2.019 -6.042 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.677 1.157 -6.888 1.00 0.00 O ATOM 284 H GLU A 17 -8.533 1.138 -1.988 1.00 0.00 H ATOM 285 HA GLU A 17 -11.066 1.563 -3.449 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.791 0.842 -4.457 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.149 -0.733 -3.748 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.051 -0.916 -5.913 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.453 -0.485 -4.934 1.00 0.00 H ATOM 290 N ALA A 18 -10.414 -1.050 -1.552 1.00 0.00 N ATOM 291 CA ALA A 18 -11.069 -2.093 -0.725 1.00 0.00 C ATOM 292 C ALA A 18 -11.628 -1.493 0.574 1.00 0.00 C ATOM 293 O ALA A 18 -12.449 -2.098 1.235 1.00 0.00 O ATOM 294 CB ALA A 18 -9.960 -3.098 -0.438 1.00 0.00 C ATOM 295 H ALA A 18 -9.442 -1.027 -1.625 1.00 0.00 H ATOM 296 HA ALA A 18 -11.853 -2.569 -1.287 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.324 -4.097 -0.608 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.641 -2.999 0.585 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.125 -2.903 -1.095 1.00 0.00 H ATOM 300 N PHE A 19 -11.209 -0.308 0.941 1.00 0.00 N ATOM 301 CA PHE A 19 -11.751 0.308 2.191 1.00 0.00 C ATOM 302 C PHE A 19 -12.211 1.744 1.919 1.00 0.00 C ATOM 303 O PHE A 19 -12.036 2.620 2.742 1.00 0.00 O ATOM 304 CB PHE A 19 -10.612 0.306 3.217 1.00 0.00 C ATOM 305 CG PHE A 19 -10.200 -1.105 3.542 1.00 0.00 C ATOM 306 CD1 PHE A 19 -9.557 -1.877 2.574 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.452 -1.638 4.811 1.00 0.00 C ATOM 308 CE1 PHE A 19 -9.165 -3.187 2.869 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.060 -2.947 5.109 1.00 0.00 C ATOM 310 CZ PHE A 19 -9.417 -3.723 4.138 1.00 0.00 C ATOM 311 H PHE A 19 -10.557 0.178 0.393 1.00 0.00 H ATOM 312 HA PHE A 19 -12.568 -0.277 2.555 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.768 0.835 2.819 1.00 0.00 H ATOM 314 HB3 PHE A 19 -10.946 0.794 4.120 1.00 0.00 H ATOM 315 HD1 PHE A 19 -9.363 -1.462 1.597 1.00 0.00 H ATOM 316 HD2 PHE A 19 -10.948 -1.040 5.559 1.00 0.00 H ATOM 317 HE1 PHE A 19 -8.670 -3.784 2.118 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.252 -3.359 6.088 1.00 0.00 H ATOM 319 HZ PHE A 19 -9.114 -4.732 4.366 1.00 0.00 H HETATM 320 N NH2 A 20 -12.800 2.025 0.790 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.102 2.939 0.608 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.942 1.320 0.124 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 63 HETATM 1 C ACE A 1 11.489 -1.841 -0.245 1.00 0.00 C HETATM 2 O ACE A 1 10.685 -0.950 -0.429 1.00 0.00 O HETATM 3 CH3 ACE A 1 12.693 -1.646 0.661 1.00 0.00 C HETATM 4 H1 ACE A 1 13.296 -0.838 0.287 1.00 0.00 H HETATM 5 H2 ACE A 1 13.270 -2.558 0.685 1.00 0.00 H HETATM 6 H3 ACE A 1 12.348 -1.413 1.659 1.00 0.00 H ATOM 7 N ASP A 2 11.331 -3.017 -0.779 1.00 0.00 N ATOM 8 CA ASP A 2 10.149 -3.282 -1.629 1.00 0.00 C ATOM 9 C ASP A 2 8.919 -3.308 -0.724 1.00 0.00 C ATOM 10 O ASP A 2 7.802 -3.432 -1.165 1.00 0.00 O ATOM 11 CB ASP A 2 10.394 -4.654 -2.254 1.00 0.00 C ATOM 12 CG ASP A 2 11.408 -4.523 -3.391 1.00 0.00 C ATOM 13 OD1 ASP A 2 11.309 -3.567 -4.141 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.266 -5.385 -3.494 1.00 0.00 O ATOM 15 H ASP A 2 11.967 -3.730 -0.592 1.00 0.00 H ATOM 16 HA ASP A 2 10.053 -2.532 -2.390 1.00 0.00 H ATOM 17 HB2 ASP A 2 10.777 -5.327 -1.503 1.00 0.00 H ATOM 18 HB3 ASP A 2 9.464 -5.038 -2.646 1.00 0.00 H ATOM 19 N TRP A 3 9.130 -3.205 0.555 1.00 0.00 N ATOM 20 CA TRP A 3 8.004 -3.227 1.508 1.00 0.00 C ATOM 21 C TRP A 3 7.598 -1.788 1.740 1.00 0.00 C ATOM 22 O TRP A 3 6.451 -1.462 1.972 1.00 0.00 O ATOM 23 CB TRP A 3 8.558 -3.923 2.757 1.00 0.00 C ATOM 24 CG TRP A 3 9.509 -4.960 2.268 1.00 0.00 C ATOM 25 CD1 TRP A 3 9.323 -5.674 1.140 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.780 -5.375 2.814 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.415 -6.465 0.924 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.342 -6.343 1.948 1.00 0.00 C ATOM 29 CE3 TRP A 3 11.490 -5.009 3.959 1.00 0.00 C ATOM 30 CZ2 TRP A 3 12.581 -6.922 2.215 1.00 0.00 C ATOM 31 CZ3 TRP A 3 12.734 -5.593 4.239 1.00 0.00 C ATOM 32 CH2 TRP A 3 13.280 -6.549 3.368 1.00 0.00 C ATOM 33 H TRP A 3 10.035 -3.124 0.897 1.00 0.00 H ATOM 34 HA TRP A 3 7.208 -3.792 1.100 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.075 -3.207 3.382 1.00 0.00 H ATOM 36 HB3 TRP A 3 7.757 -4.389 3.310 1.00 0.00 H ATOM 37 HD1 TRP A 3 8.469 -5.596 0.484 1.00 0.00 H ATOM 38 HE1 TRP A 3 10.525 -7.053 0.157 1.00 0.00 H ATOM 39 HE3 TRP A 3 11.069 -4.274 4.629 1.00 0.00 H ATOM 40 HZ2 TRP A 3 12.998 -7.650 1.538 1.00 0.00 H ATOM 41 HZ3 TRP A 3 13.272 -5.305 5.128 1.00 0.00 H ATOM 42 HH2 TRP A 3 14.239 -6.995 3.588 1.00 0.00 H ATOM 43 N PHE A 4 8.535 -0.909 1.591 1.00 0.00 N ATOM 44 CA PHE A 4 8.214 0.516 1.713 1.00 0.00 C ATOM 45 C PHE A 4 7.571 0.941 0.394 1.00 0.00 C ATOM 46 O PHE A 4 6.582 1.644 0.357 1.00 0.00 O ATOM 47 CB PHE A 4 9.555 1.215 1.921 1.00 0.00 C ATOM 48 CG PHE A 4 9.334 2.558 2.575 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.357 3.429 2.080 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.112 2.931 3.678 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.157 4.673 2.688 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.911 4.176 4.285 1.00 0.00 C ATOM 53 CZ PHE A 4 8.934 5.046 3.791 1.00 0.00 C ATOM 54 H PHE A 4 9.440 -1.189 1.344 1.00 0.00 H ATOM 55 HA PHE A 4 7.565 0.689 2.543 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.179 0.605 2.556 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.038 1.355 0.967 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.757 3.141 1.230 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.865 2.258 4.058 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.402 5.345 2.307 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.512 4.464 5.136 1.00 0.00 H ATOM 62 HZ PHE A 4 8.780 6.007 4.260 1.00 0.00 H ATOM 63 N LYS A 5 8.140 0.491 -0.695 1.00 0.00 N ATOM 64 CA LYS A 5 7.609 0.842 -2.033 1.00 0.00 C ATOM 65 C LYS A 5 6.576 -0.174 -2.544 1.00 0.00 C ATOM 66 O LYS A 5 5.508 0.209 -2.982 1.00 0.00 O ATOM 67 CB LYS A 5 8.833 0.850 -2.946 1.00 0.00 C ATOM 68 CG LYS A 5 8.456 1.449 -4.303 1.00 0.00 C ATOM 69 CD LYS A 5 9.502 2.487 -4.712 1.00 0.00 C ATOM 70 CE LYS A 5 10.557 1.823 -5.600 1.00 0.00 C ATOM 71 NZ LYS A 5 10.006 1.909 -6.981 1.00 0.00 N ATOM 72 H LYS A 5 8.928 -0.077 -0.627 1.00 0.00 H ATOM 73 HA LYS A 5 7.181 1.824 -2.006 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.615 1.442 -2.493 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.181 -0.161 -3.086 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.418 0.664 -5.045 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.489 1.925 -4.231 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.023 3.287 -5.258 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.978 2.887 -3.830 1.00 0.00 H ATOM 80 HE2 LYS A 5 11.495 2.358 -5.532 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.690 0.790 -5.319 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.089 1.421 -7.019 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.668 1.460 -7.646 1.00 0.00 H ATOM 84 HZ3 LYS A 5 9.876 2.907 -7.241 1.00 0.00 H ATOM 85 N ALA A 6 6.863 -1.458 -2.530 1.00 0.00 N ATOM 86 CA ALA A 6 5.852 -2.411 -3.068 1.00 0.00 C ATOM 87 C ALA A 6 4.713 -2.624 -2.074 1.00 0.00 C ATOM 88 O ALA A 6 3.615 -2.980 -2.453 1.00 0.00 O ATOM 89 CB ALA A 6 6.597 -3.712 -3.332 1.00 0.00 C ATOM 90 H ALA A 6 7.730 -1.791 -2.192 1.00 0.00 H ATOM 91 HA ALA A 6 5.464 -2.036 -3.994 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.305 -4.448 -2.599 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.659 -3.537 -3.268 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.349 -4.070 -4.321 1.00 0.00 H ATOM 95 N PHE A 7 4.948 -2.417 -0.807 1.00 0.00 N ATOM 96 CA PHE A 7 3.853 -2.627 0.171 1.00 0.00 C ATOM 97 C PHE A 7 3.133 -1.313 0.484 1.00 0.00 C ATOM 98 O PHE A 7 1.924 -1.285 0.602 1.00 0.00 O ATOM 99 CB PHE A 7 4.524 -3.201 1.413 1.00 0.00 C ATOM 100 CG PHE A 7 4.203 -4.671 1.536 1.00 0.00 C ATOM 101 CD1 PHE A 7 4.931 -5.608 0.793 1.00 0.00 C ATOM 102 CD2 PHE A 7 3.185 -5.098 2.396 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.642 -6.973 0.909 1.00 0.00 C ATOM 104 CE2 PHE A 7 2.897 -6.464 2.514 1.00 0.00 C ATOM 105 CZ PHE A 7 3.624 -7.400 1.770 1.00 0.00 C ATOM 106 H PHE A 7 5.833 -2.131 -0.500 1.00 0.00 H ATOM 107 HA PHE A 7 3.159 -3.337 -0.220 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.584 -3.084 1.320 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.172 -2.680 2.287 1.00 0.00 H ATOM 110 HD1 PHE A 7 5.714 -5.277 0.127 1.00 0.00 H ATOM 111 HD2 PHE A 7 2.624 -4.376 2.970 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.205 -7.694 0.335 1.00 0.00 H ATOM 113 HE2 PHE A 7 2.114 -6.795 3.178 1.00 0.00 H ATOM 114 HZ PHE A 7 3.401 -8.453 1.862 1.00 0.00 H ATOM 115 N TYR A 8 3.838 -0.218 0.612 1.00 0.00 N ATOM 116 CA TYR A 8 3.130 1.054 0.905 1.00 0.00 C ATOM 117 C TYR A 8 2.330 1.494 -0.323 1.00 0.00 C ATOM 118 O TYR A 8 1.341 2.194 -0.215 1.00 0.00 O ATOM 119 CB TYR A 8 4.223 2.066 1.234 1.00 0.00 C ATOM 120 CG TYR A 8 3.650 3.152 2.112 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.622 2.989 3.503 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.145 4.323 1.535 1.00 0.00 C ATOM 123 CE1 TYR A 8 3.088 3.996 4.315 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.612 5.330 2.347 1.00 0.00 C ATOM 125 CZ TYR A 8 2.585 5.167 3.737 1.00 0.00 C ATOM 126 OH TYR A 8 2.059 6.161 4.537 1.00 0.00 O ATOM 127 H TYR A 8 4.816 -0.227 0.512 1.00 0.00 H ATOM 128 HA TYR A 8 2.483 0.929 1.752 1.00 0.00 H ATOM 129 HB2 TYR A 8 5.026 1.567 1.756 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.597 2.501 0.321 1.00 0.00 H ATOM 131 HD1 TYR A 8 4.011 2.084 3.948 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.166 4.449 0.462 1.00 0.00 H ATOM 133 HE1 TYR A 8 3.067 3.870 5.387 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.222 6.233 1.901 1.00 0.00 H ATOM 135 HH TYR A 8 2.482 6.989 4.296 1.00 0.00 H ATOM 136 N ASP A 9 2.747 1.082 -1.491 1.00 0.00 N ATOM 137 CA ASP A 9 2.014 1.474 -2.724 1.00 0.00 C ATOM 138 C ASP A 9 0.834 0.530 -2.967 1.00 0.00 C ATOM 139 O ASP A 9 -0.290 0.958 -3.152 1.00 0.00 O ATOM 140 CB ASP A 9 3.035 1.355 -3.851 1.00 0.00 C ATOM 141 CG ASP A 9 4.017 2.526 -3.773 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.814 2.545 -2.851 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.951 3.385 -4.637 1.00 0.00 O ATOM 144 H ASP A 9 3.542 0.513 -1.557 1.00 0.00 H ATOM 145 HA ASP A 9 1.675 2.487 -2.645 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.573 0.425 -3.751 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.525 1.379 -4.802 1.00 0.00 H ATOM 148 N LYS A 10 1.079 -0.751 -2.974 1.00 0.00 N ATOM 149 CA LYS A 10 -0.025 -1.718 -3.212 1.00 0.00 C ATOM 150 C LYS A 10 -1.037 -1.681 -2.060 1.00 0.00 C ATOM 151 O LYS A 10 -2.230 -1.793 -2.267 1.00 0.00 O ATOM 152 CB LYS A 10 0.652 -3.082 -3.288 1.00 0.00 C ATOM 153 CG LYS A 10 0.064 -3.880 -4.455 1.00 0.00 C ATOM 154 CD LYS A 10 1.198 -4.500 -5.273 1.00 0.00 C ATOM 155 CE LYS A 10 1.131 -6.025 -5.165 1.00 0.00 C ATOM 156 NZ LYS A 10 1.869 -6.354 -3.914 1.00 0.00 N ATOM 157 H LYS A 10 1.991 -1.077 -2.828 1.00 0.00 H ATOM 158 HA LYS A 10 -0.510 -1.504 -4.144 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.712 -2.948 -3.442 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.484 -3.619 -2.368 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.574 -4.662 -4.069 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.514 -3.222 -5.084 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.096 -4.207 -6.309 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.147 -4.156 -4.893 1.00 0.00 H ATOM 165 HE2 LYS A 10 0.102 -6.351 -5.096 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.616 -6.484 -6.013 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.233 -6.250 -3.099 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.678 -5.708 -3.809 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.211 -7.335 -3.961 1.00 0.00 H ATOM 170 N VAL A 11 -0.575 -1.534 -0.845 1.00 0.00 N ATOM 171 CA VAL A 11 -1.518 -1.506 0.307 1.00 0.00 C ATOM 172 C VAL A 11 -2.366 -0.230 0.288 1.00 0.00 C ATOM 173 O VAL A 11 -3.575 -0.283 0.411 1.00 0.00 O ATOM 174 CB VAL A 11 -0.632 -1.576 1.558 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.122 -0.185 1.942 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.442 -2.156 2.719 1.00 0.00 C ATOM 177 H VAL A 11 0.387 -1.454 -0.692 1.00 0.00 H ATOM 178 HA VAL A 11 -2.157 -2.369 0.270 1.00 0.00 H ATOM 179 HB VAL A 11 0.210 -2.217 1.356 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.468 -0.257 2.844 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.961 0.472 2.115 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.489 0.208 1.144 1.00 0.00 H ATOM 183 HG21 VAL A 11 -1.235 -3.211 2.813 1.00 0.00 H ATOM 184 HG22 VAL A 11 -2.496 -2.011 2.530 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.169 -1.653 3.635 1.00 0.00 H ATOM 186 N ALA A 12 -1.759 0.914 0.131 1.00 0.00 N ATOM 187 CA ALA A 12 -2.563 2.167 0.104 1.00 0.00 C ATOM 188 C ALA A 12 -3.597 2.098 -1.008 1.00 0.00 C ATOM 189 O ALA A 12 -4.655 2.689 -0.922 1.00 0.00 O ATOM 190 CB ALA A 12 -1.563 3.287 -0.149 1.00 0.00 C ATOM 191 H ALA A 12 -0.783 0.949 0.027 1.00 0.00 H ATOM 192 HA ALA A 12 -3.051 2.318 1.045 1.00 0.00 H ATOM 193 HB1 ALA A 12 -0.586 2.975 0.186 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.869 4.167 0.397 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.533 3.506 -1.204 1.00 0.00 H ATOM 196 N GLU A 13 -3.315 1.369 -2.046 1.00 0.00 N ATOM 197 CA GLU A 13 -4.301 1.254 -3.142 1.00 0.00 C ATOM 198 C GLU A 13 -5.428 0.326 -2.699 1.00 0.00 C ATOM 199 O GLU A 13 -6.561 0.453 -3.123 1.00 0.00 O ATOM 200 CB GLU A 13 -3.532 0.662 -4.319 1.00 0.00 C ATOM 201 CG GLU A 13 -2.712 1.762 -4.995 1.00 0.00 C ATOM 202 CD GLU A 13 -3.361 2.135 -6.327 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.562 1.959 -6.450 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.646 2.591 -7.205 1.00 0.00 O ATOM 205 H GLU A 13 -2.465 0.887 -2.096 1.00 0.00 H ATOM 206 HA GLU A 13 -4.685 2.220 -3.398 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.871 -0.113 -3.962 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.228 0.247 -5.030 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.680 2.631 -4.353 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.708 1.407 -5.171 1.00 0.00 H ATOM 211 N LYS A 14 -5.126 -0.594 -1.825 1.00 0.00 N ATOM 212 CA LYS A 14 -6.173 -1.512 -1.337 1.00 0.00 C ATOM 213 C LYS A 14 -6.897 -0.867 -0.168 1.00 0.00 C ATOM 214 O LYS A 14 -8.004 -1.223 0.163 1.00 0.00 O ATOM 215 CB LYS A 14 -5.438 -2.777 -0.900 1.00 0.00 C ATOM 216 CG LYS A 14 -5.043 -3.593 -2.134 1.00 0.00 C ATOM 217 CD LYS A 14 -6.210 -4.496 -2.545 1.00 0.00 C ATOM 218 CE LYS A 14 -6.085 -4.855 -4.028 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.070 -6.344 -4.064 1.00 0.00 N ATOM 220 H LYS A 14 -4.220 -0.668 -1.480 1.00 0.00 H ATOM 221 HA LYS A 14 -6.861 -1.735 -2.123 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.551 -2.503 -0.350 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.086 -3.368 -0.272 1.00 0.00 H ATOM 224 HG2 LYS A 14 -4.803 -2.922 -2.946 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.184 -4.203 -1.902 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.190 -5.399 -1.952 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.142 -3.977 -2.380 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.932 -4.471 -4.579 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.163 -4.466 -4.433 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.042 -6.698 -4.170 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -5.662 -6.708 -3.179 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.496 -6.666 -4.869 1.00 0.00 H ATOM 233 N PHE A 15 -6.298 0.102 0.452 1.00 0.00 N ATOM 234 CA PHE A 15 -6.999 0.764 1.568 1.00 0.00 C ATOM 235 C PHE A 15 -8.035 1.703 0.977 1.00 0.00 C ATOM 236 O PHE A 15 -9.116 1.878 1.504 1.00 0.00 O ATOM 237 CB PHE A 15 -5.932 1.522 2.349 1.00 0.00 C ATOM 238 CG PHE A 15 -5.795 0.907 3.722 1.00 0.00 C ATOM 239 CD1 PHE A 15 -5.784 -0.486 3.861 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.684 1.725 4.852 1.00 0.00 C ATOM 241 CE1 PHE A 15 -5.659 -1.062 5.131 1.00 0.00 C ATOM 242 CE2 PHE A 15 -5.560 1.148 6.123 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.548 -0.244 6.262 1.00 0.00 C ATOM 244 H PHE A 15 -5.413 0.404 0.170 1.00 0.00 H ATOM 245 HA PHE A 15 -7.469 0.033 2.188 1.00 0.00 H ATOM 246 HB2 PHE A 15 -4.991 1.455 1.826 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.224 2.555 2.446 1.00 0.00 H ATOM 248 HD1 PHE A 15 -5.870 -1.117 2.989 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.693 2.800 4.745 1.00 0.00 H ATOM 250 HE1 PHE A 15 -5.651 -2.137 5.239 1.00 0.00 H ATOM 251 HE2 PHE A 15 -5.473 1.778 6.995 1.00 0.00 H ATOM 252 HZ PHE A 15 -5.451 -0.689 7.242 1.00 0.00 H ATOM 253 N LYS A 16 -7.720 2.280 -0.149 1.00 0.00 N ATOM 254 CA LYS A 16 -8.694 3.182 -0.810 1.00 0.00 C ATOM 255 C LYS A 16 -9.697 2.339 -1.592 1.00 0.00 C ATOM 256 O LYS A 16 -10.807 2.756 -1.860 1.00 0.00 O ATOM 257 CB LYS A 16 -7.873 4.064 -1.749 1.00 0.00 C ATOM 258 CG LYS A 16 -8.664 5.334 -2.068 1.00 0.00 C ATOM 259 CD LYS A 16 -8.366 5.782 -3.500 1.00 0.00 C ATOM 260 CE LYS A 16 -6.952 6.365 -3.569 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.052 5.179 -3.626 1.00 0.00 N ATOM 262 H LYS A 16 -6.853 2.096 -0.569 1.00 0.00 H ATOM 263 HA LYS A 16 -9.194 3.782 -0.080 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.942 4.329 -1.269 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.670 3.528 -2.662 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.722 5.135 -1.968 1.00 0.00 H ATOM 267 HG3 LYS A 16 -8.381 6.117 -1.381 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.441 4.935 -4.165 1.00 0.00 H ATOM 269 HD3 LYS A 16 -9.079 6.537 -3.796 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.840 6.969 -4.459 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.741 6.947 -2.687 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -6.573 4.366 -4.012 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.716 4.953 -2.667 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.239 5.390 -4.239 1.00 0.00 H ATOM 275 N GLU A 17 -9.315 1.141 -1.942 1.00 0.00 N ATOM 276 CA GLU A 17 -10.239 0.253 -2.686 1.00 0.00 C ATOM 277 C GLU A 17 -10.919 -0.699 -1.704 1.00 0.00 C ATOM 278 O GLU A 17 -12.124 -0.692 -1.546 1.00 0.00 O ATOM 279 CB GLU A 17 -9.356 -0.520 -3.666 1.00 0.00 C ATOM 280 CG GLU A 17 -10.146 -1.690 -4.255 1.00 0.00 C ATOM 281 CD GLU A 17 -9.191 -2.633 -4.992 1.00 0.00 C ATOM 282 OE1 GLU A 17 -7.999 -2.543 -4.751 1.00 0.00 O ATOM 283 OE2 GLU A 17 -9.669 -3.427 -5.785 1.00 0.00 O ATOM 284 H GLU A 17 -8.421 0.823 -1.704 1.00 0.00 H ATOM 285 HA GLU A 17 -10.964 0.834 -3.216 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.041 0.140 -4.462 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.488 -0.898 -3.147 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.640 -2.228 -3.458 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.884 -1.315 -4.947 1.00 0.00 H ATOM 290 N ALA A 18 -10.151 -1.510 -1.035 1.00 0.00 N ATOM 291 CA ALA A 18 -10.740 -2.454 -0.049 1.00 0.00 C ATOM 292 C ALA A 18 -11.519 -1.673 1.012 1.00 0.00 C ATOM 293 O ALA A 18 -12.418 -2.193 1.643 1.00 0.00 O ATOM 294 CB ALA A 18 -9.545 -3.173 0.577 1.00 0.00 C ATOM 295 H ALA A 18 -9.183 -1.491 -1.173 1.00 0.00 H ATOM 296 HA ALA A 18 -11.381 -3.164 -0.545 1.00 0.00 H ATOM 297 HB1 ALA A 18 -8.748 -3.245 -0.150 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.840 -4.164 0.885 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.198 -2.615 1.435 1.00 0.00 H ATOM 300 N PHE A 19 -11.187 -0.423 1.210 1.00 0.00 N ATOM 301 CA PHE A 19 -11.914 0.381 2.222 1.00 0.00 C ATOM 302 C PHE A 19 -12.289 1.748 1.648 1.00 0.00 C ATOM 303 O PHE A 19 -11.704 2.201 0.685 1.00 0.00 O ATOM 304 CB PHE A 19 -10.944 0.533 3.389 1.00 0.00 C ATOM 305 CG PHE A 19 -11.237 -0.525 4.426 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.551 -0.730 4.866 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.195 -1.299 4.949 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.822 -1.710 5.829 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.466 -2.279 5.912 1.00 0.00 C ATOM 310 CZ PHE A 19 -11.779 -2.485 6.352 1.00 0.00 C ATOM 311 H PHE A 19 -10.465 -0.014 0.693 1.00 0.00 H ATOM 312 HA PHE A 19 -12.789 -0.142 2.544 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.934 0.419 3.031 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.066 1.510 3.829 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.355 -0.133 4.463 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.183 -1.140 4.609 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.835 -1.869 6.168 1.00 0.00 H ATOM 318 HE2 PHE A 19 -9.662 -2.876 6.316 1.00 0.00 H ATOM 319 HZ PHE A 19 -11.988 -3.241 7.095 1.00 0.00 H HETATM 320 N NH2 A 20 -13.253 2.430 2.203 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -13.503 3.306 1.843 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.726 2.066 2.980 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 64 HETATM 1 C ACE A 1 12.380 -1.160 -0.268 1.00 0.00 C HETATM 2 O ACE A 1 11.398 -0.497 0.004 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.452 -1.448 0.772 1.00 0.00 C HETATM 4 H1 ACE A 1 14.155 -2.162 0.369 1.00 0.00 H HETATM 5 H2 ACE A 1 12.986 -1.861 1.656 1.00 0.00 H HETATM 6 H3 ACE A 1 13.962 -0.534 1.024 1.00 0.00 H ATOM 7 N ASP A 2 12.531 -1.691 -1.443 1.00 0.00 N ATOM 8 CA ASP A 2 11.497 -1.484 -2.465 1.00 0.00 C ATOM 9 C ASP A 2 10.291 -2.260 -1.992 1.00 0.00 C ATOM 10 O ASP A 2 9.167 -1.887 -2.218 1.00 0.00 O ATOM 11 CB ASP A 2 12.065 -2.071 -3.755 1.00 0.00 C ATOM 12 CG ASP A 2 11.108 -1.782 -4.913 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.635 -0.660 -4.999 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.864 -2.687 -5.693 1.00 0.00 O ATOM 15 H ASP A 2 13.294 -2.254 -1.635 1.00 0.00 H ATOM 16 HA ASP A 2 11.273 -0.439 -2.581 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.026 -1.622 -3.961 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.180 -3.137 -3.644 1.00 0.00 H ATOM 19 N TRP A 3 10.553 -3.335 -1.293 1.00 0.00 N ATOM 20 CA TRP A 3 9.469 -4.174 -0.739 1.00 0.00 C ATOM 21 C TRP A 3 8.700 -3.377 0.331 1.00 0.00 C ATOM 22 O TRP A 3 7.564 -3.671 0.649 1.00 0.00 O ATOM 23 CB TRP A 3 10.193 -5.382 -0.114 1.00 0.00 C ATOM 24 CG TRP A 3 10.687 -4.987 1.236 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.398 -3.872 1.478 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.512 -5.652 2.519 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.630 -3.771 2.821 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.127 -4.856 3.514 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.883 -6.845 2.916 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.119 -5.230 4.858 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.877 -7.228 4.267 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.494 -6.423 5.236 1.00 0.00 C ATOM 33 H TRP A 3 11.482 -3.578 -1.118 1.00 0.00 H ATOM 34 HA TRP A 3 8.821 -4.497 -1.519 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.507 -6.211 -0.024 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.027 -5.667 -0.737 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.702 -3.150 0.741 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.101 -3.033 3.242 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.406 -7.472 2.177 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.595 -4.607 5.600 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.396 -8.149 4.562 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.486 -6.722 6.273 1.00 0.00 H ATOM 43 N PHE A 4 9.322 -2.360 0.877 1.00 0.00 N ATOM 44 CA PHE A 4 8.651 -1.535 1.911 1.00 0.00 C ATOM 45 C PHE A 4 7.767 -0.538 1.201 1.00 0.00 C ATOM 46 O PHE A 4 6.560 -0.561 1.322 1.00 0.00 O ATOM 47 CB PHE A 4 9.775 -0.830 2.664 1.00 0.00 C ATOM 48 CG PHE A 4 9.413 -0.726 4.126 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.466 -1.862 4.941 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.022 0.505 4.663 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.127 -1.766 6.296 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.683 0.601 6.019 1.00 0.00 C ATOM 53 CZ PHE A 4 8.736 -0.535 6.835 1.00 0.00 C ATOM 54 H PHE A 4 10.224 -2.130 0.593 1.00 0.00 H ATOM 55 HA PHE A 4 8.085 -2.153 2.577 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.687 -1.397 2.559 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.912 0.159 2.257 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.768 -2.811 4.525 1.00 0.00 H ATOM 59 HD2 PHE A 4 8.982 1.382 4.034 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.168 -2.643 6.925 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.381 1.551 6.434 1.00 0.00 H ATOM 62 HZ PHE A 4 8.474 -0.462 7.881 1.00 0.00 H ATOM 63 N LYS A 5 8.356 0.297 0.398 1.00 0.00 N ATOM 64 CA LYS A 5 7.534 1.242 -0.383 1.00 0.00 C ATOM 65 C LYS A 5 6.625 0.405 -1.274 1.00 0.00 C ATOM 66 O LYS A 5 5.622 0.869 -1.778 1.00 0.00 O ATOM 67 CB LYS A 5 8.519 2.059 -1.212 1.00 0.00 C ATOM 68 CG LYS A 5 8.642 3.465 -0.619 1.00 0.00 C ATOM 69 CD LYS A 5 8.867 4.475 -1.745 1.00 0.00 C ATOM 70 CE LYS A 5 7.572 5.248 -2.004 1.00 0.00 C ATOM 71 NZ LYS A 5 7.703 5.758 -3.397 1.00 0.00 N ATOM 72 H LYS A 5 9.327 0.263 0.274 1.00 0.00 H ATOM 73 HA LYS A 5 6.961 1.878 0.263 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.484 1.577 -1.200 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.160 2.130 -2.225 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.734 3.712 -0.088 1.00 0.00 H ATOM 77 HG3 LYS A 5 9.479 3.497 0.062 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.648 5.165 -1.459 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.158 3.954 -2.644 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.719 4.588 -1.922 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.481 6.072 -1.315 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.133 6.705 -3.381 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.761 5.812 -3.836 1.00 0.00 H ATOM 84 HZ3 LYS A 5 8.306 5.116 -3.947 1.00 0.00 H ATOM 85 N ALA A 6 6.963 -0.855 -1.440 1.00 0.00 N ATOM 86 CA ALA A 6 6.111 -1.746 -2.264 1.00 0.00 C ATOM 87 C ALA A 6 4.892 -2.143 -1.441 1.00 0.00 C ATOM 88 O ALA A 6 3.847 -2.475 -1.965 1.00 0.00 O ATOM 89 CB ALA A 6 6.982 -2.957 -2.571 1.00 0.00 C ATOM 90 H ALA A 6 7.769 -1.217 -1.000 1.00 0.00 H ATOM 91 HA ALA A 6 5.823 -1.260 -3.172 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.621 -2.733 -3.415 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.359 -3.803 -2.804 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.592 -3.179 -1.712 1.00 0.00 H ATOM 95 N PHE A 7 5.026 -2.094 -0.142 1.00 0.00 N ATOM 96 CA PHE A 7 3.892 -2.444 0.745 1.00 0.00 C ATOM 97 C PHE A 7 2.958 -1.242 0.878 1.00 0.00 C ATOM 98 O PHE A 7 1.765 -1.340 0.670 1.00 0.00 O ATOM 99 CB PHE A 7 4.536 -2.781 2.092 1.00 0.00 C ATOM 100 CG PHE A 7 5.191 -4.146 2.038 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.212 -4.879 0.842 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.776 -4.683 3.192 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.813 -6.142 0.803 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.379 -5.946 3.152 1.00 0.00 C ATOM 105 CZ PHE A 7 6.396 -6.676 1.958 1.00 0.00 C ATOM 106 H PHE A 7 5.875 -1.816 0.249 1.00 0.00 H ATOM 107 HA PHE A 7 3.367 -3.295 0.364 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.281 -2.036 2.325 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.776 -2.780 2.858 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.765 -4.467 -0.050 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.765 -4.119 4.115 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.828 -6.704 -0.120 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.829 -6.358 4.043 1.00 0.00 H ATOM 114 HZ PHE A 7 6.860 -7.652 1.927 1.00 0.00 H ATOM 115 N TYR A 8 3.497 -0.101 1.215 1.00 0.00 N ATOM 116 CA TYR A 8 2.648 1.114 1.351 1.00 0.00 C ATOM 117 C TYR A 8 1.913 1.373 0.037 1.00 0.00 C ATOM 118 O TYR A 8 0.836 1.937 0.013 1.00 0.00 O ATOM 119 CB TYR A 8 3.625 2.251 1.658 1.00 0.00 C ATOM 120 CG TYR A 8 2.870 3.557 1.752 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.627 3.603 2.394 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.414 4.721 1.196 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.928 4.814 2.481 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.715 5.931 1.283 1.00 0.00 C ATOM 125 CZ TYR A 8 1.472 5.977 1.925 1.00 0.00 C ATOM 126 OH TYR A 8 0.785 7.170 2.012 1.00 0.00 O ATOM 127 H TYR A 8 4.460 -0.042 1.369 1.00 0.00 H ATOM 128 HA TYR A 8 1.950 0.997 2.160 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.120 2.054 2.597 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.359 2.317 0.869 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.206 2.705 2.823 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.373 4.686 0.700 1.00 0.00 H ATOM 133 HE1 TYR A 8 -0.031 4.850 2.976 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.136 6.829 0.854 1.00 0.00 H ATOM 135 HH TYR A 8 0.093 7.163 1.347 1.00 0.00 H ATOM 136 N ASP A 9 2.490 0.961 -1.058 1.00 0.00 N ATOM 137 CA ASP A 9 1.830 1.173 -2.374 1.00 0.00 C ATOM 138 C ASP A 9 0.672 0.189 -2.550 1.00 0.00 C ATOM 139 O ASP A 9 -0.468 0.576 -2.717 1.00 0.00 O ATOM 140 CB ASP A 9 2.918 0.913 -3.411 1.00 0.00 C ATOM 141 CG ASP A 9 3.658 2.217 -3.713 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.783 3.027 -2.810 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.087 2.384 -4.843 1.00 0.00 O ATOM 144 H ASP A 9 3.357 0.508 -1.015 1.00 0.00 H ATOM 145 HA ASP A 9 1.483 2.184 -2.457 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.612 0.184 -3.025 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.466 0.540 -4.317 1.00 0.00 H ATOM 148 N LYS A 10 0.956 -1.083 -2.515 1.00 0.00 N ATOM 149 CA LYS A 10 -0.129 -2.091 -2.683 1.00 0.00 C ATOM 150 C LYS A 10 -1.263 -1.830 -1.688 1.00 0.00 C ATOM 151 O LYS A 10 -2.424 -1.794 -2.050 1.00 0.00 O ATOM 152 CB LYS A 10 0.530 -3.437 -2.402 1.00 0.00 C ATOM 153 CG LYS A 10 0.088 -4.451 -3.459 1.00 0.00 C ATOM 154 CD LYS A 10 0.522 -3.964 -4.844 1.00 0.00 C ATOM 155 CE LYS A 10 1.329 -5.062 -5.543 1.00 0.00 C ATOM 156 NZ LYS A 10 2.038 -4.370 -6.655 1.00 0.00 N ATOM 157 H LYS A 10 1.883 -1.375 -2.381 1.00 0.00 H ATOM 158 HA LYS A 10 -0.500 -2.075 -3.690 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.604 -3.324 -2.435 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.232 -3.785 -1.426 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.544 -5.408 -3.253 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.986 -4.549 -3.436 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.352 -3.729 -5.433 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.136 -3.082 -4.740 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.039 -5.502 -4.855 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.670 -5.819 -5.940 1.00 0.00 H ATOM 167 HZ1 LYS A 10 2.991 -4.772 -6.761 1.00 0.00 H ATOM 168 HZ2 LYS A 10 2.111 -3.354 -6.441 1.00 0.00 H ATOM 169 HZ3 LYS A 10 1.508 -4.502 -7.539 1.00 0.00 H ATOM 170 N VAL A 11 -0.943 -1.650 -0.435 1.00 0.00 N ATOM 171 CA VAL A 11 -2.015 -1.398 0.568 1.00 0.00 C ATOM 172 C VAL A 11 -2.861 -0.196 0.147 1.00 0.00 C ATOM 173 O VAL A 11 -4.073 -0.228 0.216 1.00 0.00 O ATOM 174 CB VAL A 11 -1.291 -1.118 1.884 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.618 -2.398 2.381 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.228 -0.040 1.670 1.00 0.00 C ATOM 177 H VAL A 11 -0.004 -1.683 -0.154 1.00 0.00 H ATOM 178 HA VAL A 11 -2.638 -2.270 0.668 1.00 0.00 H ATOM 179 HB VAL A 11 -2.005 -0.779 2.621 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.111 -2.738 3.281 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.421 -2.200 2.593 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.692 -3.162 1.622 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.623 0.920 1.968 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.052 -0.007 0.629 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.640 -0.273 2.267 1.00 0.00 H ATOM 186 N ALA A 12 -2.238 0.862 -0.291 1.00 0.00 N ATOM 187 CA ALA A 12 -3.025 2.051 -0.714 1.00 0.00 C ATOM 188 C ALA A 12 -4.046 1.647 -1.771 1.00 0.00 C ATOM 189 O ALA A 12 -5.131 2.188 -1.834 1.00 0.00 O ATOM 190 CB ALA A 12 -2.009 3.030 -1.283 1.00 0.00 C ATOM 191 H ALA A 12 -1.262 0.874 -0.344 1.00 0.00 H ATOM 192 HA ALA A 12 -3.522 2.488 0.127 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.296 4.037 -1.015 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.983 2.935 -2.357 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.034 2.813 -0.874 1.00 0.00 H ATOM 196 N GLU A 13 -3.722 0.687 -2.588 1.00 0.00 N ATOM 197 CA GLU A 13 -4.699 0.246 -3.611 1.00 0.00 C ATOM 198 C GLU A 13 -5.884 -0.401 -2.899 1.00 0.00 C ATOM 199 O GLU A 13 -7.023 -0.294 -3.317 1.00 0.00 O ATOM 200 CB GLU A 13 -3.955 -0.774 -4.471 1.00 0.00 C ATOM 201 CG GLU A 13 -4.738 -1.022 -5.763 1.00 0.00 C ATOM 202 CD GLU A 13 -4.723 -2.516 -6.094 1.00 0.00 C ATOM 203 OE1 GLU A 13 -3.646 -3.091 -6.107 1.00 0.00 O ATOM 204 OE2 GLU A 13 -5.789 -3.060 -6.332 1.00 0.00 O ATOM 205 H GLU A 13 -2.850 0.246 -2.514 1.00 0.00 H ATOM 206 HA GLU A 13 -5.017 1.078 -4.212 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.973 -0.392 -4.711 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.859 -1.701 -3.926 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.758 -0.693 -5.634 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.282 -0.472 -6.572 1.00 0.00 H ATOM 211 N LYS A 14 -5.617 -1.054 -1.800 1.00 0.00 N ATOM 212 CA LYS A 14 -6.712 -1.694 -1.036 1.00 0.00 C ATOM 213 C LYS A 14 -7.316 -0.680 -0.077 1.00 0.00 C ATOM 214 O LYS A 14 -8.384 -0.873 0.456 1.00 0.00 O ATOM 215 CB LYS A 14 -6.065 -2.849 -0.280 1.00 0.00 C ATOM 216 CG LYS A 14 -6.597 -4.177 -0.827 1.00 0.00 C ATOM 217 CD LYS A 14 -5.424 -5.118 -1.109 1.00 0.00 C ATOM 218 CE LYS A 14 -5.959 -6.509 -1.461 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.173 -6.478 -2.935 1.00 0.00 N ATOM 220 H LYS A 14 -4.702 -1.105 -1.471 1.00 0.00 H ATOM 221 HA LYS A 14 -7.456 -2.063 -1.706 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.995 -2.808 -0.410 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.308 -2.771 0.767 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.254 -4.628 -0.097 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.141 -3.998 -1.741 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.847 -4.734 -1.938 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.798 -5.187 -0.233 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.234 -7.266 -1.198 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.895 -6.690 -0.955 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -6.347 -5.498 -3.239 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.994 -7.069 -3.178 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.326 -6.842 -3.415 1.00 0.00 H ATOM 233 N PHE A 15 -6.654 0.415 0.132 1.00 0.00 N ATOM 234 CA PHE A 15 -7.227 1.435 1.031 1.00 0.00 C ATOM 235 C PHE A 15 -8.305 2.180 0.265 1.00 0.00 C ATOM 236 O PHE A 15 -9.330 2.554 0.799 1.00 0.00 O ATOM 237 CB PHE A 15 -6.069 2.357 1.400 1.00 0.00 C ATOM 238 CG PHE A 15 -5.833 2.308 2.889 1.00 0.00 C ATOM 239 CD1 PHE A 15 -4.955 1.361 3.429 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.491 3.213 3.731 1.00 0.00 C ATOM 241 CE1 PHE A 15 -4.733 1.320 4.811 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.270 3.171 5.113 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.392 2.224 5.653 1.00 0.00 C ATOM 244 H PHE A 15 -5.801 0.573 -0.313 1.00 0.00 H ATOM 245 HA PHE A 15 -7.635 0.971 1.899 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.178 2.035 0.884 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.311 3.367 1.108 1.00 0.00 H ATOM 248 HD1 PHE A 15 -4.447 0.664 2.780 1.00 0.00 H ATOM 249 HD2 PHE A 15 -7.168 3.944 3.314 1.00 0.00 H ATOM 250 HE1 PHE A 15 -4.056 0.589 5.228 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.778 3.868 5.762 1.00 0.00 H ATOM 252 HZ PHE A 15 -5.222 2.191 6.719 1.00 0.00 H ATOM 253 N LYS A 16 -8.087 2.361 -1.005 1.00 0.00 N ATOM 254 CA LYS A 16 -9.098 3.046 -1.839 1.00 0.00 C ATOM 255 C LYS A 16 -10.155 2.032 -2.264 1.00 0.00 C ATOM 256 O LYS A 16 -11.280 2.375 -2.567 1.00 0.00 O ATOM 257 CB LYS A 16 -8.335 3.578 -3.049 1.00 0.00 C ATOM 258 CG LYS A 16 -7.533 4.815 -2.638 1.00 0.00 C ATOM 259 CD LYS A 16 -7.219 5.653 -3.878 1.00 0.00 C ATOM 260 CE LYS A 16 -6.420 6.893 -3.469 1.00 0.00 C ATOM 261 NZ LYS A 16 -7.440 7.857 -2.964 1.00 0.00 N ATOM 262 H LYS A 16 -7.264 2.021 -1.411 1.00 0.00 H ATOM 263 HA LYS A 16 -9.544 3.854 -1.296 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.663 2.816 -3.413 1.00 0.00 H ATOM 265 HB3 LYS A 16 -9.034 3.847 -3.825 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.112 5.404 -1.941 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.611 4.507 -2.170 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.637 5.063 -4.573 1.00 0.00 H ATOM 269 HD3 LYS A 16 -8.140 5.960 -4.348 1.00 0.00 H ATOM 270 HE2 LYS A 16 -5.716 6.644 -2.688 1.00 0.00 H ATOM 271 HE3 LYS A 16 -5.908 7.310 -4.321 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -8.003 8.215 -3.762 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -6.960 8.652 -2.494 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.065 7.378 -2.288 1.00 0.00 H ATOM 275 N GLU A 17 -9.796 0.776 -2.273 1.00 0.00 N ATOM 276 CA GLU A 17 -10.772 -0.272 -2.657 1.00 0.00 C ATOM 277 C GLU A 17 -11.410 -0.860 -1.399 1.00 0.00 C ATOM 278 O GLU A 17 -12.608 -0.801 -1.209 1.00 0.00 O ATOM 279 CB GLU A 17 -9.955 -1.329 -3.400 1.00 0.00 C ATOM 280 CG GLU A 17 -10.852 -2.517 -3.753 1.00 0.00 C ATOM 281 CD GLU A 17 -10.054 -3.532 -4.573 1.00 0.00 C ATOM 282 OE1 GLU A 17 -8.854 -3.352 -4.697 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.656 -4.473 -5.063 1.00 0.00 O ATOM 284 H GLU A 17 -8.886 0.523 -2.014 1.00 0.00 H ATOM 285 HA GLU A 17 -11.520 0.140 -3.303 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.551 -0.901 -4.306 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.146 -1.667 -2.770 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.204 -2.985 -2.844 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.696 -2.173 -4.331 1.00 0.00 H ATOM 290 N ALA A 18 -10.611 -1.413 -0.532 1.00 0.00 N ATOM 291 CA ALA A 18 -11.158 -1.992 0.723 1.00 0.00 C ATOM 292 C ALA A 18 -11.760 -0.878 1.581 1.00 0.00 C ATOM 293 O ALA A 18 -12.579 -1.117 2.446 1.00 0.00 O ATOM 294 CB ALA A 18 -9.954 -2.620 1.422 1.00 0.00 C ATOM 295 H ALA A 18 -9.650 -1.440 -0.702 1.00 0.00 H ATOM 296 HA ALA A 18 -11.895 -2.744 0.501 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.471 -1.877 2.040 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.256 -2.979 0.678 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.282 -3.444 2.036 1.00 0.00 H ATOM 300 N PHE A 19 -11.357 0.342 1.343 1.00 0.00 N ATOM 301 CA PHE A 19 -11.900 1.475 2.135 1.00 0.00 C ATOM 302 C PHE A 19 -12.044 2.717 1.251 1.00 0.00 C ATOM 303 O PHE A 19 -11.646 2.714 0.103 1.00 0.00 O ATOM 304 CB PHE A 19 -10.876 1.715 3.240 1.00 0.00 C ATOM 305 CG PHE A 19 -11.336 1.047 4.513 1.00 0.00 C ATOM 306 CD1 PHE A 19 -12.541 1.432 5.112 1.00 0.00 C ATOM 307 CD2 PHE A 19 -10.556 0.041 5.096 1.00 0.00 C ATOM 308 CE1 PHE A 19 -12.966 0.812 6.292 1.00 0.00 C ATOM 309 CE2 PHE A 19 -10.980 -0.579 6.277 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.185 -0.194 6.875 1.00 0.00 C ATOM 311 H PHE A 19 -10.701 0.513 0.641 1.00 0.00 H ATOM 312 HA PHE A 19 -12.842 1.207 2.563 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.926 1.302 2.941 1.00 0.00 H ATOM 314 HB3 PHE A 19 -10.774 2.776 3.407 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.144 2.208 4.663 1.00 0.00 H ATOM 316 HD2 PHE A 19 -9.625 -0.256 4.635 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.897 1.108 6.755 1.00 0.00 H ATOM 318 HE2 PHE A 19 -10.377 -1.354 6.726 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.513 -0.672 7.786 1.00 0.00 H HETATM 320 N NH2 A 20 -12.605 3.788 1.742 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.706 4.587 1.184 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.926 3.793 2.667 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 65 HETATM 1 C ACE A 1 12.121 -0.569 -0.543 1.00 0.00 C HETATM 2 O ACE A 1 11.124 0.117 -0.639 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.070 -0.425 0.633 1.00 0.00 C HETATM 4 H1 ACE A 1 14.087 -0.501 0.284 1.00 0.00 H HETATM 5 H2 ACE A 1 12.872 -1.212 1.343 1.00 0.00 H HETATM 6 H3 ACE A 1 12.915 0.531 1.105 1.00 0.00 H ATOM 7 N ASP A 2 12.393 -1.492 -1.413 1.00 0.00 N ATOM 8 CA ASP A 2 11.482 -1.721 -2.542 1.00 0.00 C ATOM 9 C ASP A 2 10.344 -2.532 -1.972 1.00 0.00 C ATOM 10 O ASP A 2 9.208 -2.396 -2.354 1.00 0.00 O ATOM 11 CB ASP A 2 12.281 -2.524 -3.568 1.00 0.00 C ATOM 12 CG ASP A 2 12.888 -3.757 -2.893 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.606 -3.585 -1.922 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.623 -4.853 -3.360 1.00 0.00 O ATOM 15 H ASP A 2 13.164 -2.062 -1.295 1.00 0.00 H ATOM 16 HA ASP A 2 11.139 -0.791 -2.955 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.625 -2.837 -4.370 1.00 0.00 H ATOM 18 HB3 ASP A 2 13.076 -1.910 -3.970 1.00 0.00 H ATOM 19 N TRP A 3 10.676 -3.352 -1.011 1.00 0.00 N ATOM 20 CA TRP A 3 9.666 -4.183 -0.323 1.00 0.00 C ATOM 21 C TRP A 3 8.830 -3.292 0.605 1.00 0.00 C ATOM 22 O TRP A 3 7.701 -3.601 0.931 1.00 0.00 O ATOM 23 CB TRP A 3 10.490 -5.177 0.494 1.00 0.00 C ATOM 24 CG TRP A 3 11.388 -4.372 1.362 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.968 -3.621 2.393 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.830 -4.193 1.278 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.040 -2.945 2.917 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.222 -3.285 2.287 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.825 -4.717 0.433 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.554 -2.904 2.454 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.169 -4.340 0.601 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.533 -3.436 1.610 1.00 0.00 C ATOM 33 H TRP A 3 11.607 -3.401 -0.724 1.00 0.00 H ATOM 34 HA TRP A 3 9.059 -4.688 -1.031 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.838 -5.790 1.099 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.078 -5.798 -0.163 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.945 -3.523 2.723 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.986 -2.313 3.651 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.556 -5.415 -0.347 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.826 -2.207 3.232 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.927 -4.750 -0.051 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.566 -3.151 1.733 1.00 0.00 H ATOM 43 N PHE A 4 9.388 -2.181 1.024 1.00 0.00 N ATOM 44 CA PHE A 4 8.650 -1.255 1.920 1.00 0.00 C ATOM 45 C PHE A 4 7.742 -0.408 1.055 1.00 0.00 C ATOM 46 O PHE A 4 6.535 -0.452 1.167 1.00 0.00 O ATOM 47 CB PHE A 4 9.717 -0.399 2.595 1.00 0.00 C ATOM 48 CG PHE A 4 9.323 -0.136 4.029 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.357 0.833 4.324 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.926 -0.862 5.063 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.995 1.077 5.653 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.563 -0.618 6.393 1.00 0.00 C ATOM 53 CZ PHE A 4 8.596 0.351 6.688 1.00 0.00 C ATOM 54 H PHE A 4 10.294 -1.955 0.742 1.00 0.00 H ATOM 55 HA PHE A 4 8.092 -1.802 2.650 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.662 -0.919 2.571 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.807 0.540 2.070 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.892 1.393 3.526 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.671 -1.610 4.833 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.249 1.825 5.881 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.027 -1.179 7.190 1.00 0.00 H ATOM 62 HZ PHE A 4 8.316 0.540 7.713 1.00 0.00 H ATOM 63 N LYS A 5 8.316 0.316 0.140 1.00 0.00 N ATOM 64 CA LYS A 5 7.477 1.104 -0.786 1.00 0.00 C ATOM 65 C LYS A 5 6.563 0.113 -1.504 1.00 0.00 C ATOM 66 O LYS A 5 5.547 0.472 -2.067 1.00 0.00 O ATOM 67 CB LYS A 5 8.464 1.769 -1.759 1.00 0.00 C ATOM 68 CG LYS A 5 7.793 2.007 -3.118 1.00 0.00 C ATOM 69 CD LYS A 5 8.839 2.495 -4.126 1.00 0.00 C ATOM 70 CE LYS A 5 9.439 1.295 -4.867 1.00 0.00 C ATOM 71 NZ LYS A 5 10.431 1.875 -5.820 1.00 0.00 N ATOM 72 H LYS A 5 9.286 0.296 0.032 1.00 0.00 H ATOM 73 HA LYS A 5 6.904 1.846 -0.252 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.786 2.716 -1.350 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.320 1.126 -1.893 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.356 1.085 -3.471 1.00 0.00 H ATOM 77 HG3 LYS A 5 7.021 2.755 -3.015 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.369 3.159 -4.838 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.623 3.024 -3.604 1.00 0.00 H ATOM 80 HE2 LYS A 5 9.929 0.630 -4.169 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.670 0.767 -5.411 1.00 0.00 H ATOM 82 HZ1 LYS A 5 10.474 2.906 -5.698 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.144 1.652 -6.795 1.00 0.00 H ATOM 84 HZ3 LYS A 5 11.370 1.467 -5.635 1.00 0.00 H ATOM 85 N ALA A 6 6.926 -1.150 -1.473 1.00 0.00 N ATOM 86 CA ALA A 6 6.090 -2.184 -2.138 1.00 0.00 C ATOM 87 C ALA A 6 4.835 -2.453 -1.313 1.00 0.00 C ATOM 88 O ALA A 6 3.784 -2.755 -1.842 1.00 0.00 O ATOM 89 CB ALA A 6 6.973 -3.423 -2.201 1.00 0.00 C ATOM 90 H ALA A 6 7.754 -1.420 -1.003 1.00 0.00 H ATOM 91 HA ALA A 6 5.825 -1.875 -3.127 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.531 -3.416 -3.127 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.363 -4.308 -2.152 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.661 -3.412 -1.373 1.00 0.00 H ATOM 95 N PHE A 7 4.931 -2.337 -0.020 1.00 0.00 N ATOM 96 CA PHE A 7 3.742 -2.575 0.827 1.00 0.00 C ATOM 97 C PHE A 7 2.858 -1.330 0.835 1.00 0.00 C ATOM 98 O PHE A 7 1.661 -1.410 0.666 1.00 0.00 O ATOM 99 CB PHE A 7 4.291 -2.862 2.225 1.00 0.00 C ATOM 100 CG PHE A 7 5.272 -4.017 2.173 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.361 -4.821 1.028 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.095 -4.280 3.276 1.00 0.00 C ATOM 103 CE1 PHE A 7 6.269 -5.886 0.989 1.00 0.00 C ATOM 104 CE2 PHE A 7 7.003 -5.346 3.235 1.00 0.00 C ATOM 105 CZ PHE A 7 7.091 -6.146 2.093 1.00 0.00 C ATOM 106 H PHE A 7 5.781 -2.088 0.391 1.00 0.00 H ATOM 107 HA PHE A 7 3.195 -3.418 0.463 1.00 0.00 H ATOM 108 HB2 PHE A 7 4.794 -1.984 2.598 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.475 -3.115 2.886 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.728 -4.620 0.177 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.029 -3.663 4.160 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.335 -6.505 0.107 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.635 -5.549 4.087 1.00 0.00 H ATOM 114 HZ PHE A 7 7.791 -6.967 2.062 1.00 0.00 H ATOM 115 N TYR A 8 3.441 -0.180 1.020 1.00 0.00 N ATOM 116 CA TYR A 8 2.635 1.072 1.025 1.00 0.00 C ATOM 117 C TYR A 8 1.864 1.195 -0.286 1.00 0.00 C ATOM 118 O TYR A 8 0.770 1.722 -0.331 1.00 0.00 O ATOM 119 CB TYR A 8 3.660 2.198 1.139 1.00 0.00 C ATOM 120 CG TYR A 8 2.957 3.514 1.373 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.139 4.065 0.378 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.127 4.185 2.588 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.494 5.289 0.601 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.483 5.407 2.811 1.00 0.00 C ATOM 125 CZ TYR A 8 1.665 5.960 1.819 1.00 0.00 C ATOM 126 OH TYR A 8 1.029 7.165 2.041 1.00 0.00 O ATOM 127 H TYR A 8 4.408 -0.136 1.149 1.00 0.00 H ATOM 128 HA TYR A 8 1.966 1.091 1.867 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.325 1.995 1.965 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.230 2.255 0.224 1.00 0.00 H ATOM 131 HD1 TYR A 8 2.008 3.548 -0.562 1.00 0.00 H ATOM 132 HD2 TYR A 8 3.758 3.760 3.354 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.861 5.715 -0.164 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.618 5.923 3.750 1.00 0.00 H ATOM 135 HH TYR A 8 0.889 7.256 2.987 1.00 0.00 H ATOM 136 N ASP A 9 2.431 0.712 -1.354 1.00 0.00 N ATOM 137 CA ASP A 9 1.741 0.801 -2.668 1.00 0.00 C ATOM 138 C ASP A 9 0.555 -0.165 -2.706 1.00 0.00 C ATOM 139 O ASP A 9 -0.587 0.236 -2.821 1.00 0.00 O ATOM 140 CB ASP A 9 2.798 0.400 -3.696 1.00 0.00 C ATOM 141 CG ASP A 9 2.213 0.527 -5.103 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.084 0.108 -5.293 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.905 1.042 -5.966 1.00 0.00 O ATOM 144 H ASP A 9 3.313 0.290 -1.292 1.00 0.00 H ATOM 145 HA ASP A 9 1.417 1.807 -2.850 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.656 1.050 -3.600 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.099 -0.624 -3.524 1.00 0.00 H ATOM 148 N LYS A 10 0.823 -1.434 -2.611 1.00 0.00 N ATOM 149 CA LYS A 10 -0.280 -2.438 -2.642 1.00 0.00 C ATOM 150 C LYS A 10 -1.344 -2.127 -1.580 1.00 0.00 C ATOM 151 O LYS A 10 -2.531 -2.193 -1.840 1.00 0.00 O ATOM 152 CB LYS A 10 0.395 -3.767 -2.321 1.00 0.00 C ATOM 153 CG LYS A 10 0.393 -4.660 -3.562 1.00 0.00 C ATOM 154 CD LYS A 10 1.754 -5.345 -3.691 1.00 0.00 C ATOM 155 CE LYS A 10 1.868 -6.454 -2.643 1.00 0.00 C ATOM 156 NZ LYS A 10 3.321 -6.543 -2.332 1.00 0.00 N ATOM 157 H LYS A 10 1.758 -1.732 -2.524 1.00 0.00 H ATOM 158 HA LYS A 10 -0.721 -2.485 -3.618 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.411 -3.584 -2.011 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.143 -4.258 -1.527 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.381 -5.407 -3.466 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.210 -4.059 -4.441 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.851 -5.771 -4.680 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.538 -4.620 -3.532 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.307 -6.189 -1.757 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.517 -7.392 -3.046 1.00 0.00 H ATOM 167 HZ1 LYS A 10 3.871 -6.135 -3.115 1.00 0.00 H ATOM 168 HZ2 LYS A 10 3.588 -7.541 -2.203 1.00 0.00 H ATOM 169 HZ3 LYS A 10 3.522 -6.015 -1.459 1.00 0.00 H ATOM 170 N VAL A 11 -0.933 -1.820 -0.381 1.00 0.00 N ATOM 171 CA VAL A 11 -1.925 -1.546 0.699 1.00 0.00 C ATOM 172 C VAL A 11 -2.784 -0.315 0.393 1.00 0.00 C ATOM 173 O VAL A 11 -3.994 -0.362 0.494 1.00 0.00 O ATOM 174 CB VAL A 11 -1.096 -1.336 1.969 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.205 -2.558 2.205 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.219 -0.090 1.824 1.00 0.00 C ATOM 177 H VAL A 11 0.025 -1.792 -0.182 1.00 0.00 H ATOM 178 HA VAL A 11 -2.559 -2.404 0.827 1.00 0.00 H ATOM 179 HB VAL A 11 -1.761 -1.211 2.810 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.797 -2.233 2.439 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.187 -3.166 1.312 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.598 -3.136 3.027 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.155 -0.024 0.815 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.612 -0.153 2.513 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.806 0.788 2.049 1.00 0.00 H ATOM 186 N ALA A 12 -2.191 0.785 0.031 1.00 0.00 N ATOM 187 CA ALA A 12 -3.011 1.991 -0.259 1.00 0.00 C ATOM 188 C ALA A 12 -3.993 1.712 -1.389 1.00 0.00 C ATOM 189 O ALA A 12 -5.044 2.317 -1.471 1.00 0.00 O ATOM 190 CB ALA A 12 -2.019 3.076 -0.656 1.00 0.00 C ATOM 191 H ALA A 12 -1.220 0.824 -0.042 1.00 0.00 H ATOM 192 HA ALA A 12 -3.543 2.290 0.619 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.050 2.841 -0.246 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.358 4.026 -0.267 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.957 3.127 -1.730 1.00 0.00 H ATOM 196 N GLU A 13 -3.678 0.796 -2.256 1.00 0.00 N ATOM 197 CA GLU A 13 -4.619 0.489 -3.360 1.00 0.00 C ATOM 198 C GLU A 13 -5.818 -0.270 -2.796 1.00 0.00 C ATOM 199 O GLU A 13 -6.937 -0.130 -3.255 1.00 0.00 O ATOM 200 CB GLU A 13 -3.833 -0.388 -4.332 1.00 0.00 C ATOM 201 CG GLU A 13 -4.769 -0.894 -5.431 1.00 0.00 C ATOM 202 CD GLU A 13 -5.248 -2.304 -5.084 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.405 -3.152 -4.841 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.450 -2.512 -5.064 1.00 0.00 O ATOM 205 H GLU A 13 -2.836 0.307 -2.177 1.00 0.00 H ATOM 206 HA GLU A 13 -4.935 1.393 -3.845 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.035 0.191 -4.772 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.417 -1.232 -3.801 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.620 -0.232 -5.511 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.240 -0.915 -6.372 1.00 0.00 H ATOM 211 N LYS A 14 -5.591 -1.062 -1.785 1.00 0.00 N ATOM 212 CA LYS A 14 -6.702 -1.820 -1.177 1.00 0.00 C ATOM 213 C LYS A 14 -7.382 -0.958 -0.127 1.00 0.00 C ATOM 214 O LYS A 14 -8.483 -1.226 0.296 1.00 0.00 O ATOM 215 CB LYS A 14 -6.060 -3.052 -0.548 1.00 0.00 C ATOM 216 CG LYS A 14 -6.579 -4.311 -1.246 1.00 0.00 C ATOM 217 CD LYS A 14 -5.405 -5.230 -1.588 1.00 0.00 C ATOM 218 CE LYS A 14 -5.219 -5.277 -3.106 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.573 -6.671 -3.494 1.00 0.00 N ATOM 220 H LYS A 14 -4.692 -1.143 -1.418 1.00 0.00 H ATOM 221 HA LYS A 14 -7.401 -2.114 -1.929 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.987 -2.992 -0.660 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.315 -3.091 0.498 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.263 -4.829 -0.589 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.093 -4.033 -2.154 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.506 -4.854 -1.124 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.609 -6.225 -1.222 1.00 0.00 H ATOM 228 HE2 LYS A 14 -5.881 -4.571 -3.587 1.00 0.00 H ATOM 229 HE3 LYS A 14 -4.193 -5.069 -3.367 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.780 -6.707 -4.511 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.409 -6.979 -2.957 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.774 -7.304 -3.285 1.00 0.00 H ATOM 233 N PHE A 15 -6.747 0.098 0.286 1.00 0.00 N ATOM 234 CA PHE A 15 -7.389 0.973 1.284 1.00 0.00 C ATOM 235 C PHE A 15 -8.238 2.008 0.559 1.00 0.00 C ATOM 236 O PHE A 15 -9.202 2.514 1.084 1.00 0.00 O ATOM 237 CB PHE A 15 -6.257 1.620 2.070 1.00 0.00 C ATOM 238 CG PHE A 15 -6.482 1.356 3.538 1.00 0.00 C ATOM 239 CD1 PHE A 15 -6.852 0.075 3.969 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.332 2.389 4.469 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.071 -0.172 5.329 1.00 0.00 C ATOM 242 CE2 PHE A 15 -6.550 2.142 5.830 1.00 0.00 C ATOM 243 CZ PHE A 15 -6.921 0.862 6.260 1.00 0.00 C ATOM 244 H PHE A 15 -5.867 0.318 -0.071 1.00 0.00 H ATOM 245 HA PHE A 15 -7.998 0.389 1.937 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.315 1.193 1.762 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.254 2.682 1.891 1.00 0.00 H ATOM 248 HD1 PHE A 15 -6.969 -0.724 3.250 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.047 3.376 4.137 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.358 -1.160 5.660 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.433 2.939 6.548 1.00 0.00 H ATOM 252 HZ PHE A 15 -7.091 0.673 7.310 1.00 0.00 H ATOM 253 N LYS A 16 -7.909 2.297 -0.666 1.00 0.00 N ATOM 254 CA LYS A 16 -8.727 3.264 -1.431 1.00 0.00 C ATOM 255 C LYS A 16 -9.847 2.502 -2.132 1.00 0.00 C ATOM 256 O LYS A 16 -10.879 3.051 -2.458 1.00 0.00 O ATOM 257 CB LYS A 16 -7.780 3.899 -2.444 1.00 0.00 C ATOM 258 CG LYS A 16 -8.438 5.150 -3.029 1.00 0.00 C ATOM 259 CD LYS A 16 -7.643 6.387 -2.614 1.00 0.00 C ATOM 260 CE LYS A 16 -6.907 6.956 -3.830 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.577 6.286 -3.828 1.00 0.00 N ATOM 262 H LYS A 16 -7.147 1.858 -1.088 1.00 0.00 H ATOM 263 HA LYS A 16 -9.128 4.010 -0.774 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.856 4.172 -1.955 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.579 3.197 -3.236 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.458 5.076 -4.107 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.448 5.231 -2.655 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.319 7.133 -2.219 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.924 6.116 -1.855 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.449 6.721 -4.736 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.784 8.023 -3.729 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -4.870 6.919 -3.402 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.299 6.067 -4.807 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.629 5.407 -3.276 1.00 0.00 H ATOM 275 N GLU A 17 -9.648 1.230 -2.346 1.00 0.00 N ATOM 276 CA GLU A 17 -10.697 0.411 -3.002 1.00 0.00 C ATOM 277 C GLU A 17 -11.460 -0.377 -1.934 1.00 0.00 C ATOM 278 O GLU A 17 -12.673 -0.429 -1.930 1.00 0.00 O ATOM 279 CB GLU A 17 -9.934 -0.520 -3.954 1.00 0.00 C ATOM 280 CG GLU A 17 -10.776 -1.760 -4.269 1.00 0.00 C ATOM 281 CD GLU A 17 -11.953 -1.366 -5.161 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.836 -0.372 -5.859 1.00 0.00 O ATOM 283 OE2 GLU A 17 -12.953 -2.066 -5.132 1.00 0.00 O ATOM 284 H GLU A 17 -8.811 0.809 -2.061 1.00 0.00 H ATOM 285 HA GLU A 17 -11.362 1.043 -3.552 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.720 0.007 -4.873 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.008 -0.825 -3.492 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.165 -2.488 -4.779 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.151 -2.186 -3.350 1.00 0.00 H ATOM 290 N ALA A 18 -10.752 -0.982 -1.024 1.00 0.00 N ATOM 291 CA ALA A 18 -11.417 -1.757 0.054 1.00 0.00 C ATOM 292 C ALA A 18 -11.705 -0.855 1.253 1.00 0.00 C ATOM 293 O ALA A 18 -12.343 -1.254 2.204 1.00 0.00 O ATOM 294 CB ALA A 18 -10.408 -2.822 0.439 1.00 0.00 C ATOM 295 H ALA A 18 -9.780 -0.921 -1.044 1.00 0.00 H ATOM 296 HA ALA A 18 -12.316 -2.211 -0.311 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.917 -3.753 0.616 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.891 -2.512 1.336 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.694 -2.943 -0.362 1.00 0.00 H ATOM 300 N PHE A 19 -11.213 0.350 1.218 1.00 0.00 N ATOM 301 CA PHE A 19 -11.435 1.301 2.353 1.00 0.00 C ATOM 302 C PHE A 19 -11.148 0.628 3.704 1.00 0.00 C ATOM 303 O PHE A 19 -11.524 1.128 4.744 1.00 0.00 O ATOM 304 CB PHE A 19 -12.904 1.758 2.213 1.00 0.00 C ATOM 305 CG PHE A 19 -13.848 0.887 3.021 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.009 1.111 4.393 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.570 -0.137 2.394 1.00 0.00 C ATOM 308 CE1 PHE A 19 -14.883 0.315 5.138 1.00 0.00 C ATOM 309 CE2 PHE A 19 -15.446 -0.936 3.140 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.600 -0.712 4.513 1.00 0.00 C ATOM 311 H PHE A 19 -10.680 0.628 0.443 1.00 0.00 H ATOM 312 HA PHE A 19 -10.794 2.156 2.242 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.988 2.778 2.555 1.00 0.00 H ATOM 314 HB3 PHE A 19 -13.186 1.712 1.169 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.455 1.902 4.878 1.00 0.00 H ATOM 316 HD2 PHE A 19 -14.452 -0.311 1.335 1.00 0.00 H ATOM 317 HE1 PHE A 19 -15.003 0.491 6.196 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.998 -1.729 2.655 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.275 -1.329 5.090 1.00 0.00 H HETATM 320 N NH2 A 20 -10.453 -0.479 3.739 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -10.240 -0.893 4.601 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -10.142 -0.892 2.910 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 66 HETATM 1 C ACE A 1 12.443 -1.518 -0.731 1.00 0.00 C HETATM 2 O ACE A 1 11.545 -0.867 -0.231 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.550 -2.124 0.119 1.00 0.00 C HETATM 4 H1 ACE A 1 13.803 -3.099 -0.273 1.00 0.00 H HETATM 5 H2 ACE A 1 13.204 -2.224 1.136 1.00 0.00 H HETATM 6 H3 ACE A 1 14.417 -1.485 0.090 1.00 0.00 H ATOM 7 N ASP A 2 12.471 -1.764 -2.007 1.00 0.00 N ATOM 8 CA ASP A 2 11.394 -1.245 -2.862 1.00 0.00 C ATOM 9 C ASP A 2 10.160 -2.028 -2.484 1.00 0.00 C ATOM 10 O ASP A 2 9.060 -1.541 -2.542 1.00 0.00 O ATOM 11 CB ASP A 2 11.819 -1.532 -4.306 1.00 0.00 C ATOM 12 CG ASP A 2 12.035 -3.034 -4.491 1.00 0.00 C ATOM 13 OD1 ASP A 2 12.338 -3.694 -3.511 1.00 0.00 O ATOM 14 OD2 ASP A 2 11.893 -3.500 -5.610 1.00 0.00 O ATOM 15 H ASP A 2 13.165 -2.322 -2.383 1.00 0.00 H ATOM 16 HA ASP A 2 11.254 -0.189 -2.703 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.046 -1.195 -4.981 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.738 -1.008 -4.523 1.00 0.00 H ATOM 19 N TRP A 3 10.373 -3.248 -2.053 1.00 0.00 N ATOM 20 CA TRP A 3 9.253 -4.109 -1.616 1.00 0.00 C ATOM 21 C TRP A 3 8.620 -3.510 -0.343 1.00 0.00 C ATOM 22 O TRP A 3 7.471 -3.759 -0.022 1.00 0.00 O ATOM 23 CB TRP A 3 9.898 -5.477 -1.330 1.00 0.00 C ATOM 24 CG TRP A 3 10.498 -5.441 0.030 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.319 -4.471 0.466 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.336 -6.374 1.135 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.633 -4.703 1.775 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.073 -5.882 2.238 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.626 -7.579 1.292 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.104 -6.561 3.457 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.659 -8.268 2.515 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.397 -7.760 3.596 1.00 0.00 C ATOM 33 H TRP A 3 11.285 -3.588 -2.000 1.00 0.00 H ATOM 34 HA TRP A 3 8.536 -4.200 -2.397 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.146 -6.252 -1.377 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.669 -5.674 -2.060 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.645 -3.621 -0.108 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.192 -4.120 2.315 1.00 0.00 H ATOM 39 HE3 TRP A 3 9.055 -7.977 0.466 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.673 -6.166 4.286 1.00 0.00 H ATOM 41 HZ3 TRP A 3 9.115 -9.195 2.624 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.418 -8.296 4.534 1.00 0.00 H ATOM 43 N PHE A 4 9.367 -2.700 0.369 1.00 0.00 N ATOM 44 CA PHE A 4 8.833 -2.068 1.599 1.00 0.00 C ATOM 45 C PHE A 4 7.979 -0.895 1.170 1.00 0.00 C ATOM 46 O PHE A 4 6.782 -0.872 1.371 1.00 0.00 O ATOM 47 CB PHE A 4 10.060 -1.597 2.380 1.00 0.00 C ATOM 48 CG PHE A 4 9.622 -0.899 3.647 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.421 -1.263 4.270 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.419 0.112 4.200 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.018 -0.615 5.445 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.014 0.758 5.375 1.00 0.00 C ATOM 53 CZ PHE A 4 8.814 0.396 5.997 1.00 0.00 C ATOM 54 H PHE A 4 10.270 -2.490 0.079 1.00 0.00 H ATOM 55 HA PHE A 4 8.265 -2.774 2.174 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.673 -2.450 2.632 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.631 -0.912 1.772 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.807 -2.041 3.844 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.344 0.393 3.721 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.092 -0.896 5.925 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.629 1.538 5.801 1.00 0.00 H ATOM 62 HZ PHE A 4 8.504 0.894 6.903 1.00 0.00 H ATOM 63 N LYS A 5 8.579 0.052 0.512 1.00 0.00 N ATOM 64 CA LYS A 5 7.778 1.184 0.002 1.00 0.00 C ATOM 65 C LYS A 5 6.757 0.606 -0.968 1.00 0.00 C ATOM 66 O LYS A 5 5.756 1.220 -1.284 1.00 0.00 O ATOM 67 CB LYS A 5 8.761 2.099 -0.728 1.00 0.00 C ATOM 68 CG LYS A 5 9.711 2.746 0.280 1.00 0.00 C ATOM 69 CD LYS A 5 9.554 4.268 0.224 1.00 0.00 C ATOM 70 CE LYS A 5 10.502 4.918 1.233 1.00 0.00 C ATOM 71 NZ LYS A 5 10.247 4.206 2.517 1.00 0.00 N ATOM 72 H LYS A 5 9.537 -0.013 0.313 1.00 0.00 H ATOM 73 HA LYS A 5 7.293 1.706 0.806 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.328 1.520 -1.440 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.211 2.871 -1.246 1.00 0.00 H ATOM 76 HG2 LYS A 5 9.478 2.394 1.275 1.00 0.00 H ATOM 77 HG3 LYS A 5 10.729 2.484 0.034 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.793 4.617 -0.770 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.536 4.534 0.465 1.00 0.00 H ATOM 80 HE2 LYS A 5 11.529 4.781 0.923 1.00 0.00 H ATOM 81 HE3 LYS A 5 10.276 5.967 1.341 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.236 3.978 2.593 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.527 4.814 3.313 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.800 3.326 2.542 1.00 0.00 H ATOM 85 N ALA A 6 6.997 -0.601 -1.422 1.00 0.00 N ATOM 86 CA ALA A 6 6.036 -1.245 -2.351 1.00 0.00 C ATOM 87 C ALA A 6 4.841 -1.739 -1.549 1.00 0.00 C ATOM 88 O ALA A 6 3.774 -1.975 -2.078 1.00 0.00 O ATOM 89 CB ALA A 6 6.793 -2.408 -2.965 1.00 0.00 C ATOM 90 H ALA A 6 7.805 -1.093 -1.132 1.00 0.00 H ATOM 91 HA ALA A 6 5.734 -0.559 -3.113 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.419 -2.847 -2.213 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.408 -2.045 -3.778 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.098 -3.142 -3.334 1.00 0.00 H ATOM 95 N PHE A 7 5.019 -1.889 -0.264 1.00 0.00 N ATOM 96 CA PHE A 7 3.908 -2.352 0.596 1.00 0.00 C ATOM 97 C PHE A 7 3.072 -1.156 1.042 1.00 0.00 C ATOM 98 O PHE A 7 1.877 -1.121 0.852 1.00 0.00 O ATOM 99 CB PHE A 7 4.580 -3.027 1.791 1.00 0.00 C ATOM 100 CG PHE A 7 5.199 -4.341 1.365 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.088 -4.785 0.038 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.883 -5.120 2.304 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.660 -6.001 -0.343 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.456 -6.337 1.922 1.00 0.00 C ATOM 105 CZ PHE A 7 6.344 -6.778 0.597 1.00 0.00 C ATOM 106 H PHE A 7 5.889 -1.695 0.134 1.00 0.00 H ATOM 107 HA PHE A 7 3.301 -3.054 0.069 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.351 -2.380 2.179 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.844 -3.211 2.558 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.562 -4.188 -0.690 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.969 -4.781 3.327 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.571 -6.340 -1.363 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.982 -6.935 2.649 1.00 0.00 H ATOM 114 HZ PHE A 7 6.786 -7.718 0.302 1.00 0.00 H ATOM 115 N TYR A 8 3.684 -0.162 1.624 1.00 0.00 N ATOM 116 CA TYR A 8 2.891 1.023 2.050 1.00 0.00 C ATOM 117 C TYR A 8 2.051 1.509 0.868 1.00 0.00 C ATOM 118 O TYR A 8 0.938 1.976 1.026 1.00 0.00 O ATOM 119 CB TYR A 8 3.912 2.079 2.461 1.00 0.00 C ATOM 120 CG TYR A 8 3.264 3.039 3.430 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.132 2.686 4.777 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.790 4.278 2.982 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.525 3.570 5.677 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.185 5.164 3.881 1.00 0.00 C ATOM 125 CZ TYR A 8 2.051 4.809 5.230 1.00 0.00 C ATOM 126 OH TYR A 8 1.453 5.681 6.117 1.00 0.00 O ATOM 127 H TYR A 8 4.654 -0.191 1.764 1.00 0.00 H ATOM 128 HA TYR A 8 2.262 0.773 2.885 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.755 1.600 2.936 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.243 2.618 1.589 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.498 1.730 5.124 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.892 4.551 1.942 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.424 3.296 6.717 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.820 6.120 3.536 1.00 0.00 H ATOM 135 HH TYR A 8 2.026 6.445 6.213 1.00 0.00 H ATOM 136 N ASP A 9 2.579 1.389 -0.321 1.00 0.00 N ATOM 137 CA ASP A 9 1.818 1.827 -1.521 1.00 0.00 C ATOM 138 C ASP A 9 0.762 0.778 -1.876 1.00 0.00 C ATOM 139 O ASP A 9 -0.371 1.094 -2.179 1.00 0.00 O ATOM 140 CB ASP A 9 2.865 1.940 -2.631 1.00 0.00 C ATOM 141 CG ASP A 9 2.170 1.952 -3.995 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.173 2.644 -4.123 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.648 1.271 -4.887 1.00 0.00 O ATOM 144 H ASP A 9 3.475 1.001 -0.424 1.00 0.00 H ATOM 145 HA ASP A 9 1.362 2.784 -1.344 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.426 2.854 -2.504 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.535 1.095 -2.579 1.00 0.00 H ATOM 148 N LYS A 10 1.133 -0.470 -1.828 1.00 0.00 N ATOM 149 CA LYS A 10 0.172 -1.560 -2.148 1.00 0.00 C ATOM 150 C LYS A 10 -1.009 -1.500 -1.182 1.00 0.00 C ATOM 151 O LYS A 10 -2.154 -1.435 -1.578 1.00 0.00 O ATOM 152 CB LYS A 10 0.974 -2.846 -1.946 1.00 0.00 C ATOM 153 CG LYS A 10 0.126 -4.052 -2.347 1.00 0.00 C ATOM 154 CD LYS A 10 0.874 -4.870 -3.400 1.00 0.00 C ATOM 155 CE LYS A 10 -0.115 -5.771 -4.143 1.00 0.00 C ATOM 156 NZ LYS A 10 0.710 -6.881 -4.691 1.00 0.00 N ATOM 157 H LYS A 10 2.048 -0.691 -1.574 1.00 0.00 H ATOM 158 HA LYS A 10 -0.161 -1.487 -3.168 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.864 -2.811 -2.558 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.254 -2.933 -0.909 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.060 -4.666 -1.477 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.814 -3.713 -2.756 1.00 0.00 H ATOM 163 HD2 LYS A 10 1.353 -4.201 -4.102 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.623 -5.481 -2.918 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.858 -6.154 -3.458 1.00 0.00 H ATOM 166 HE3 LYS A 10 -0.587 -5.228 -4.947 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.154 -7.404 -3.910 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.449 -6.491 -5.312 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.105 -7.527 -5.236 1.00 0.00 H ATOM 170 N VAL A 11 -0.737 -1.510 0.087 1.00 0.00 N ATOM 171 CA VAL A 11 -1.834 -1.438 1.084 1.00 0.00 C ATOM 172 C VAL A 11 -2.770 -0.273 0.735 1.00 0.00 C ATOM 173 O VAL A 11 -3.977 -0.422 0.714 1.00 0.00 O ATOM 174 CB VAL A 11 -1.132 -1.222 2.427 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.432 -2.520 2.841 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.086 -0.109 2.301 1.00 0.00 C ATOM 177 H VAL A 11 0.190 -1.557 0.387 1.00 0.00 H ATOM 178 HA VAL A 11 -2.384 -2.364 1.099 1.00 0.00 H ATOM 179 HB VAL A 11 -1.861 -0.952 3.178 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.451 -3.218 2.016 1.00 0.00 H ATOM 181 HG12 VAL A 11 -0.942 -2.951 3.689 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.594 -2.308 3.107 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.119 0.081 1.260 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.825 -0.416 2.794 1.00 0.00 H ATOM 185 HG23 VAL A 11 -0.460 0.791 2.765 1.00 0.00 H ATOM 186 N ALA A 12 -2.230 0.882 0.434 1.00 0.00 N ATOM 187 CA ALA A 12 -3.107 2.027 0.060 1.00 0.00 C ATOM 188 C ALA A 12 -3.983 1.627 -1.113 1.00 0.00 C ATOM 189 O ALA A 12 -5.109 2.061 -1.224 1.00 0.00 O ATOM 190 CB ALA A 12 -2.163 3.159 -0.316 1.00 0.00 C ATOM 191 H ALA A 12 -1.256 0.990 0.437 1.00 0.00 H ATOM 192 HA ALA A 12 -3.726 2.321 0.884 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.354 2.767 -0.911 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.768 3.607 0.584 1.00 0.00 H ATOM 195 HB3 ALA A 12 -2.702 3.902 -0.882 1.00 0.00 H ATOM 196 N GLU A 13 -3.503 0.773 -1.971 1.00 0.00 N ATOM 197 CA GLU A 13 -4.364 0.337 -3.088 1.00 0.00 C ATOM 198 C GLU A 13 -5.479 -0.507 -2.485 1.00 0.00 C ATOM 199 O GLU A 13 -6.565 -0.621 -3.023 1.00 0.00 O ATOM 200 CB GLU A 13 -3.474 -0.473 -4.027 1.00 0.00 C ATOM 201 CG GLU A 13 -2.977 0.431 -5.157 1.00 0.00 C ATOM 202 CD GLU A 13 -2.083 -0.373 -6.102 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.487 -1.456 -6.490 1.00 0.00 O ATOM 204 OE2 GLU A 13 -1.008 0.110 -6.421 1.00 0.00 O ATOM 205 H GLU A 13 -2.607 0.402 -1.857 1.00 0.00 H ATOM 206 HA GLU A 13 -4.771 1.188 -3.596 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.632 -0.860 -3.480 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.043 -1.288 -4.446 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.823 0.820 -5.706 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.411 1.251 -4.740 1.00 0.00 H ATOM 211 N LYS A 14 -5.226 -1.053 -1.324 1.00 0.00 N ATOM 212 CA LYS A 14 -6.259 -1.833 -0.633 1.00 0.00 C ATOM 213 C LYS A 14 -7.274 -0.843 -0.095 1.00 0.00 C ATOM 214 O LYS A 14 -8.452 -1.096 -0.091 1.00 0.00 O ATOM 215 CB LYS A 14 -5.540 -2.557 0.502 1.00 0.00 C ATOM 216 CG LYS A 14 -5.977 -4.022 0.538 1.00 0.00 C ATOM 217 CD LYS A 14 -6.881 -4.255 1.750 1.00 0.00 C ATOM 218 CE LYS A 14 -7.321 -5.721 1.785 1.00 0.00 C ATOM 219 NZ LYS A 14 -8.804 -5.672 1.920 1.00 0.00 N ATOM 220 H LYS A 14 -4.368 -0.912 -0.889 1.00 0.00 H ATOM 221 HA LYS A 14 -6.716 -2.532 -1.299 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.475 -2.501 0.342 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.790 -2.086 1.439 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.517 -4.259 -0.366 1.00 0.00 H ATOM 225 HG3 LYS A 14 -5.106 -4.656 0.615 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.339 -4.020 2.654 1.00 0.00 H ATOM 227 HD3 LYS A 14 -7.752 -3.621 1.677 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.041 -6.218 0.866 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.889 -6.225 2.634 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -9.082 -4.776 2.369 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -9.125 -6.470 2.506 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -9.240 -5.734 0.978 1.00 0.00 H ATOM 233 N PHE A 15 -6.814 0.310 0.322 1.00 0.00 N ATOM 234 CA PHE A 15 -7.757 1.343 0.822 1.00 0.00 C ATOM 235 C PHE A 15 -8.633 1.778 -0.338 1.00 0.00 C ATOM 236 O PHE A 15 -9.792 2.095 -0.181 1.00 0.00 O ATOM 237 CB PHE A 15 -6.899 2.519 1.288 1.00 0.00 C ATOM 238 CG PHE A 15 -6.406 2.332 2.710 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.077 1.487 3.609 1.00 0.00 C ATOM 240 CD2 PHE A 15 -5.268 3.031 3.132 1.00 0.00 C ATOM 241 CE1 PHE A 15 -6.606 1.347 4.921 1.00 0.00 C ATOM 242 CE2 PHE A 15 -4.799 2.889 4.442 1.00 0.00 C ATOM 243 CZ PHE A 15 -5.468 2.048 5.337 1.00 0.00 C ATOM 244 H PHE A 15 -5.855 0.502 0.275 1.00 0.00 H ATOM 245 HA PHE A 15 -8.353 0.961 1.616 1.00 0.00 H ATOM 246 HB2 PHE A 15 -6.048 2.614 0.631 1.00 0.00 H ATOM 247 HB3 PHE A 15 -7.487 3.424 1.234 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.954 0.945 3.297 1.00 0.00 H ATOM 249 HD2 PHE A 15 -4.749 3.682 2.443 1.00 0.00 H ATOM 250 HE1 PHE A 15 -7.122 0.698 5.613 1.00 0.00 H ATOM 251 HE2 PHE A 15 -3.921 3.430 4.764 1.00 0.00 H ATOM 252 HZ PHE A 15 -5.107 1.939 6.349 1.00 0.00 H ATOM 253 N LYS A 16 -8.076 1.790 -1.509 1.00 0.00 N ATOM 254 CA LYS A 16 -8.870 2.193 -2.696 1.00 0.00 C ATOM 255 C LYS A 16 -9.960 1.153 -2.954 1.00 0.00 C ATOM 256 O LYS A 16 -11.046 1.467 -3.400 1.00 0.00 O ATOM 257 CB LYS A 16 -7.878 2.225 -3.854 1.00 0.00 C ATOM 258 CG LYS A 16 -7.581 3.675 -4.240 1.00 0.00 C ATOM 259 CD LYS A 16 -8.364 4.037 -5.503 1.00 0.00 C ATOM 260 CE LYS A 16 -7.404 4.159 -6.689 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.595 2.908 -6.664 1.00 0.00 N ATOM 262 H LYS A 16 -7.132 1.527 -1.605 1.00 0.00 H ATOM 263 HA LYS A 16 -9.299 3.164 -2.549 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.964 1.737 -3.553 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.303 1.710 -4.701 1.00 0.00 H ATOM 266 HG2 LYS A 16 -7.874 4.331 -3.433 1.00 0.00 H ATOM 267 HG3 LYS A 16 -6.524 3.787 -4.431 1.00 0.00 H ATOM 268 HD2 LYS A 16 -9.093 3.265 -5.707 1.00 0.00 H ATOM 269 HD3 LYS A 16 -8.870 4.979 -5.355 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.960 4.231 -7.614 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.762 5.016 -6.566 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -7.154 2.141 -6.241 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.734 3.063 -6.101 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -6.333 2.646 -7.636 1.00 0.00 H ATOM 275 N GLU A 17 -9.672 -0.088 -2.671 1.00 0.00 N ATOM 276 CA GLU A 17 -10.678 -1.163 -2.891 1.00 0.00 C ATOM 277 C GLU A 17 -11.324 -1.562 -1.563 1.00 0.00 C ATOM 278 O GLU A 17 -12.251 -2.346 -1.516 1.00 0.00 O ATOM 279 CB GLU A 17 -9.882 -2.332 -3.478 1.00 0.00 C ATOM 280 CG GLU A 17 -10.717 -3.611 -3.405 1.00 0.00 C ATOM 281 CD GLU A 17 -10.222 -4.608 -4.456 1.00 0.00 C ATOM 282 OE1 GLU A 17 -9.085 -4.480 -4.877 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.990 -5.483 -4.822 1.00 0.00 O ATOM 284 H GLU A 17 -8.793 -0.312 -2.307 1.00 0.00 H ATOM 285 HA GLU A 17 -11.419 -0.835 -3.591 1.00 0.00 H ATOM 286 HB2 GLU A 17 -9.636 -2.118 -4.508 1.00 0.00 H ATOM 287 HB3 GLU A 17 -8.972 -2.467 -2.912 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.623 -4.046 -2.422 1.00 0.00 H ATOM 289 HG3 GLU A 17 -11.753 -3.375 -3.597 1.00 0.00 H ATOM 290 N ALA A 18 -10.822 -1.033 -0.482 1.00 0.00 N ATOM 291 CA ALA A 18 -11.367 -1.369 0.857 1.00 0.00 C ATOM 292 C ALA A 18 -12.292 -0.256 1.349 1.00 0.00 C ATOM 293 O ALA A 18 -13.046 -0.436 2.283 1.00 0.00 O ATOM 294 CB ALA A 18 -10.130 -1.470 1.748 1.00 0.00 C ATOM 295 H ALA A 18 -10.078 -0.416 -0.552 1.00 0.00 H ATOM 296 HA ALA A 18 -11.880 -2.310 0.826 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.617 -0.518 1.758 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.467 -2.228 1.356 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.425 -1.731 2.750 1.00 0.00 H ATOM 300 N PHE A 19 -12.209 0.887 0.714 1.00 0.00 N ATOM 301 CA PHE A 19 -13.046 2.076 1.088 1.00 0.00 C ATOM 302 C PHE A 19 -14.222 1.692 1.994 1.00 0.00 C ATOM 303 O PHE A 19 -15.302 1.394 1.526 1.00 0.00 O ATOM 304 CB PHE A 19 -13.552 2.616 -0.250 1.00 0.00 C ATOM 305 CG PHE A 19 -14.178 1.492 -1.040 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.368 0.622 -1.783 1.00 0.00 C ATOM 307 CD2 PHE A 19 -15.565 1.317 -1.028 1.00 0.00 C ATOM 308 CE1 PHE A 19 -13.948 -0.422 -2.511 1.00 0.00 C ATOM 309 CE2 PHE A 19 -16.145 0.273 -1.757 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.338 -0.597 -2.499 1.00 0.00 C ATOM 311 H PHE A 19 -11.574 0.967 -0.025 1.00 0.00 H ATOM 312 HA PHE A 19 -12.435 2.822 1.570 1.00 0.00 H ATOM 313 HB2 PHE A 19 -14.288 3.387 -0.074 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.724 3.029 -0.807 1.00 0.00 H ATOM 315 HD1 PHE A 19 -12.297 0.756 -1.793 1.00 0.00 H ATOM 316 HD2 PHE A 19 -16.189 1.988 -0.456 1.00 0.00 H ATOM 317 HE1 PHE A 19 -13.323 -1.093 -3.082 1.00 0.00 H ATOM 318 HE2 PHE A 19 -17.215 0.137 -1.747 1.00 0.00 H ATOM 319 HZ PHE A 19 -15.785 -1.402 -3.061 1.00 0.00 H HETATM 320 N NH2 A 20 -14.053 1.689 3.289 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -14.796 1.450 3.882 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.181 1.929 3.670 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 67 HETATM 1 C ACE A 1 12.105 -0.552 -0.718 1.00 0.00 C HETATM 2 O ACE A 1 11.143 0.172 -0.884 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.026 -0.388 0.478 1.00 0.00 C HETATM 4 H1 ACE A 1 12.645 -0.982 1.299 1.00 0.00 H HETATM 5 H2 ACE A 1 13.060 0.649 0.765 1.00 0.00 H HETATM 6 H3 ACE A 1 14.016 -0.728 0.215 1.00 0.00 H ATOM 7 N ASP A 2 12.357 -1.538 -1.521 1.00 0.00 N ATOM 8 CA ASP A 2 11.466 -1.794 -2.659 1.00 0.00 C ATOM 9 C ASP A 2 10.289 -2.525 -2.066 1.00 0.00 C ATOM 10 O ASP A 2 9.155 -2.338 -2.440 1.00 0.00 O ATOM 11 CB ASP A 2 12.254 -2.678 -3.619 1.00 0.00 C ATOM 12 CG ASP A 2 11.990 -2.233 -5.058 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.892 -2.461 -5.537 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.892 -1.670 -5.657 1.00 0.00 O ATOM 15 H ASP A 2 13.095 -2.138 -1.339 1.00 0.00 H ATOM 16 HA ASP A 2 11.170 -0.879 -3.131 1.00 0.00 H ATOM 17 HB2 ASP A 2 13.307 -2.590 -3.400 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.943 -3.703 -3.498 1.00 0.00 H ATOM 19 N TRP A 3 10.589 -3.325 -1.080 1.00 0.00 N ATOM 20 CA TRP A 3 9.551 -4.072 -0.351 1.00 0.00 C ATOM 21 C TRP A 3 8.768 -3.086 0.525 1.00 0.00 C ATOM 22 O TRP A 3 7.650 -3.334 0.929 1.00 0.00 O ATOM 23 CB TRP A 3 10.346 -5.042 0.523 1.00 0.00 C ATOM 24 CG TRP A 3 11.220 -4.210 1.393 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.765 -3.422 2.381 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.667 -4.046 1.369 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.811 -2.725 2.917 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.018 -3.096 2.358 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.697 -4.609 0.594 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.343 -2.716 2.569 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.034 -4.234 0.808 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.355 -3.290 1.795 1.00 0.00 C ATOM 33 H TRP A 3 11.520 -3.405 -0.794 1.00 0.00 H ATOM 34 HA TRP A 3 8.920 -4.596 -1.024 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.672 -5.631 1.130 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.950 -5.689 -0.094 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.729 -3.305 2.659 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.725 -2.064 3.617 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.458 -5.337 -0.170 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.585 -1.989 3.330 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.818 -4.675 0.211 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.385 -3.006 1.956 1.00 0.00 H ATOM 43 N PHE A 4 9.382 -1.964 0.830 1.00 0.00 N ATOM 44 CA PHE A 4 8.729 -0.944 1.687 1.00 0.00 C ATOM 45 C PHE A 4 7.736 -0.186 0.838 1.00 0.00 C ATOM 46 O PHE A 4 6.557 -0.171 1.104 1.00 0.00 O ATOM 47 CB PHE A 4 9.866 -0.034 2.156 1.00 0.00 C ATOM 48 CG PHE A 4 9.329 1.069 3.048 1.00 0.00 C ATOM 49 CD1 PHE A 4 7.972 1.103 3.401 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.197 2.058 3.523 1.00 0.00 C ATOM 51 CE1 PHE A 4 7.487 2.125 4.225 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.711 3.079 4.348 1.00 0.00 C ATOM 53 CZ PHE A 4 8.357 3.113 4.698 1.00 0.00 C ATOM 54 H PHE A 4 10.284 -1.799 0.496 1.00 0.00 H ATOM 55 HA PHE A 4 8.247 -1.408 2.527 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.587 -0.619 2.708 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.347 0.408 1.296 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.301 0.344 3.037 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.243 2.032 3.253 1.00 0.00 H ATOM 60 HE1 PHE A 4 6.442 2.150 4.495 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.382 3.842 4.714 1.00 0.00 H ATOM 62 HZ PHE A 4 7.981 3.902 5.334 1.00 0.00 H ATOM 63 N LYS A 5 8.201 0.401 -0.216 1.00 0.00 N ATOM 64 CA LYS A 5 7.265 1.102 -1.113 1.00 0.00 C ATOM 65 C LYS A 5 6.386 0.039 -1.773 1.00 0.00 C ATOM 66 O LYS A 5 5.378 0.334 -2.386 1.00 0.00 O ATOM 67 CB LYS A 5 8.143 1.807 -2.147 1.00 0.00 C ATOM 68 CG LYS A 5 7.255 2.459 -3.208 1.00 0.00 C ATOM 69 CD LYS A 5 8.085 3.443 -4.034 1.00 0.00 C ATOM 70 CE LYS A 5 7.169 4.526 -4.608 1.00 0.00 C ATOM 71 NZ LYS A 5 6.691 3.976 -5.906 1.00 0.00 N ATOM 72 H LYS A 5 9.152 0.344 -0.436 1.00 0.00 H ATOM 73 HA LYS A 5 6.673 1.813 -0.566 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.736 2.567 -1.656 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.795 1.088 -2.617 1.00 0.00 H ATOM 76 HG2 LYS A 5 6.850 1.696 -3.857 1.00 0.00 H ATOM 77 HG3 LYS A 5 6.447 2.989 -2.726 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.834 3.901 -3.403 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.567 2.916 -4.843 1.00 0.00 H ATOM 80 HE2 LYS A 5 6.335 4.702 -3.941 1.00 0.00 H ATOM 81 HE3 LYS A 5 7.720 5.439 -4.772 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.087 3.148 -5.731 1.00 0.00 H ATOM 83 HZ2 LYS A 5 7.509 3.694 -6.484 1.00 0.00 H ATOM 84 HZ3 LYS A 5 6.145 4.702 -6.410 1.00 0.00 H ATOM 85 N ALA A 6 6.774 -1.211 -1.640 1.00 0.00 N ATOM 86 CA ALA A 6 5.983 -2.311 -2.255 1.00 0.00 C ATOM 87 C ALA A 6 4.766 -2.660 -1.398 1.00 0.00 C ATOM 88 O ALA A 6 3.726 -3.027 -1.906 1.00 0.00 O ATOM 89 CB ALA A 6 6.948 -3.485 -2.313 1.00 0.00 C ATOM 90 H ALA A 6 7.596 -1.426 -1.133 1.00 0.00 H ATOM 91 HA ALA A 6 5.685 -2.044 -3.246 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.536 -3.421 -3.219 1.00 0.00 H ATOM 93 HB2 ALA A 6 6.395 -4.409 -2.305 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.601 -3.445 -1.459 1.00 0.00 H ATOM 95 N PHE A 7 4.883 -2.561 -0.102 1.00 0.00 N ATOM 96 CA PHE A 7 3.728 -2.904 0.765 1.00 0.00 C ATOM 97 C PHE A 7 2.892 -1.655 1.054 1.00 0.00 C ATOM 98 O PHE A 7 1.678 -1.703 1.080 1.00 0.00 O ATOM 99 CB PHE A 7 4.343 -3.514 2.036 1.00 0.00 C ATOM 100 CG PHE A 7 4.609 -2.458 3.090 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.540 -1.854 3.763 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.928 -2.099 3.409 1.00 0.00 C ATOM 103 CE1 PHE A 7 3.785 -0.895 4.752 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.170 -1.137 4.397 1.00 0.00 C ATOM 105 CZ PHE A 7 5.100 -0.536 5.068 1.00 0.00 C ATOM 106 H PHE A 7 5.723 -2.275 0.295 1.00 0.00 H ATOM 107 HA PHE A 7 3.122 -3.635 0.270 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.662 -4.248 2.439 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.273 -4.000 1.780 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.527 -2.130 3.519 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.756 -2.562 2.891 1.00 0.00 H ATOM 112 HE1 PHE A 7 2.959 -0.431 5.272 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.184 -0.860 4.641 1.00 0.00 H ATOM 114 HZ PHE A 7 5.289 0.206 5.831 1.00 0.00 H ATOM 115 N TYR A 8 3.527 -0.538 1.257 1.00 0.00 N ATOM 116 CA TYR A 8 2.765 0.708 1.523 1.00 0.00 C ATOM 117 C TYR A 8 2.041 1.146 0.250 1.00 0.00 C ATOM 118 O TYR A 8 1.019 1.802 0.298 1.00 0.00 O ATOM 119 CB TYR A 8 3.817 1.741 1.929 1.00 0.00 C ATOM 120 CG TYR A 8 3.175 3.105 2.029 1.00 0.00 C ATOM 121 CD1 TYR A 8 3.090 3.924 0.896 1.00 0.00 C ATOM 122 CD2 TYR A 8 2.666 3.551 3.254 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.498 5.190 0.990 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.072 4.816 3.348 1.00 0.00 C ATOM 125 CZ TYR A 8 1.989 5.636 2.215 1.00 0.00 C ATOM 126 OH TYR A 8 1.406 6.884 2.307 1.00 0.00 O ATOM 127 H TYR A 8 4.497 -0.515 1.222 1.00 0.00 H ATOM 128 HA TYR A 8 2.066 0.554 2.327 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.237 1.470 2.886 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.601 1.767 1.186 1.00 0.00 H ATOM 131 HD1 TYR A 8 3.482 3.580 -0.050 1.00 0.00 H ATOM 132 HD2 TYR A 8 2.730 2.920 4.128 1.00 0.00 H ATOM 133 HE1 TYR A 8 2.433 5.821 0.116 1.00 0.00 H ATOM 134 HE2 TYR A 8 1.680 5.161 4.293 1.00 0.00 H ATOM 135 HH TYR A 8 0.490 6.766 2.566 1.00 0.00 H ATOM 136 N ASP A 9 2.561 0.782 -0.894 1.00 0.00 N ATOM 137 CA ASP A 9 1.901 1.173 -2.167 1.00 0.00 C ATOM 138 C ASP A 9 0.758 0.206 -2.484 1.00 0.00 C ATOM 139 O ASP A 9 -0.357 0.610 -2.746 1.00 0.00 O ATOM 140 CB ASP A 9 2.996 1.084 -3.229 1.00 0.00 C ATOM 141 CG ASP A 9 2.450 1.585 -4.568 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.253 1.475 -4.776 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.238 2.073 -5.361 1.00 0.00 O ATOM 144 H ASP A 9 3.383 0.251 -0.915 1.00 0.00 H ATOM 145 HA ASP A 9 1.538 2.180 -2.100 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.836 1.694 -2.930 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.314 0.059 -3.333 1.00 0.00 H ATOM 148 N LYS A 10 1.027 -1.071 -2.456 1.00 0.00 N ATOM 149 CA LYS A 10 -0.042 -2.063 -2.749 1.00 0.00 C ATOM 150 C LYS A 10 -1.136 -1.990 -1.680 1.00 0.00 C ATOM 151 O LYS A 10 -2.315 -1.994 -1.978 1.00 0.00 O ATOM 152 CB LYS A 10 0.659 -3.419 -2.715 1.00 0.00 C ATOM 153 CG LYS A 10 -0.270 -4.486 -3.295 1.00 0.00 C ATOM 154 CD LYS A 10 -0.276 -5.714 -2.383 1.00 0.00 C ATOM 155 CE LYS A 10 0.074 -6.959 -3.201 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.442 -8.103 -2.401 1.00 0.00 N ATOM 157 H LYS A 10 1.931 -1.377 -2.240 1.00 0.00 H ATOM 158 HA LYS A 10 -0.454 -1.888 -3.727 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.564 -3.369 -3.303 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.904 -3.672 -1.695 1.00 0.00 H ATOM 161 HG2 LYS A 10 -1.272 -4.088 -3.370 1.00 0.00 H ATOM 162 HG3 LYS A 10 0.079 -4.772 -4.276 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.453 -5.582 -1.595 1.00 0.00 H ATOM 164 HD3 LYS A 10 -1.258 -5.835 -1.949 1.00 0.00 H ATOM 165 HE2 LYS A 10 -0.413 -6.920 -4.166 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.143 -7.042 -3.319 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.259 -8.367 -1.679 1.00 0.00 H ATOM 168 HZ2 LYS A 10 -0.616 -8.913 -3.030 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -1.329 -7.827 -1.934 1.00 0.00 H ATOM 170 N VAL A 11 -0.753 -1.923 -0.433 1.00 0.00 N ATOM 171 CA VAL A 11 -1.765 -1.849 0.659 1.00 0.00 C ATOM 172 C VAL A 11 -2.618 -0.588 0.504 1.00 0.00 C ATOM 173 O VAL A 11 -3.828 -0.629 0.608 1.00 0.00 O ATOM 174 CB VAL A 11 -0.947 -1.807 1.954 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.407 -0.395 2.200 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.833 -2.226 3.129 1.00 0.00 C ATOM 177 H VAL A 11 0.200 -1.920 -0.213 1.00 0.00 H ATOM 178 HA VAL A 11 -2.389 -2.727 0.647 1.00 0.00 H ATOM 179 HB VAL A 11 -0.118 -2.489 1.867 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.173 -0.386 3.111 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.233 0.295 2.293 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.218 -0.099 1.372 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.869 -2.051 2.878 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.570 -1.646 4.001 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.683 -3.275 3.337 1.00 0.00 H ATOM 186 N ALA A 12 -2.000 0.529 0.249 1.00 0.00 N ATOM 187 CA ALA A 12 -2.780 1.784 0.081 1.00 0.00 C ATOM 188 C ALA A 12 -3.776 1.627 -1.059 1.00 0.00 C ATOM 189 O ALA A 12 -4.820 2.246 -1.072 1.00 0.00 O ATOM 190 CB ALA A 12 -1.751 2.858 -0.240 1.00 0.00 C ATOM 191 H ALA A 12 -1.025 0.540 0.164 1.00 0.00 H ATOM 192 HA ALA A 12 -3.295 2.031 0.986 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.259 3.753 -0.564 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.099 2.507 -1.025 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.170 3.073 0.645 1.00 0.00 H ATOM 196 N GLU A 13 -3.472 0.794 -2.012 1.00 0.00 N ATOM 197 CA GLU A 13 -4.419 0.595 -3.135 1.00 0.00 C ATOM 198 C GLU A 13 -5.584 -0.268 -2.663 1.00 0.00 C ATOM 199 O GLU A 13 -6.690 -0.169 -3.161 1.00 0.00 O ATOM 200 CB GLU A 13 -3.616 -0.117 -4.222 1.00 0.00 C ATOM 201 CG GLU A 13 -4.535 -0.445 -5.400 1.00 0.00 C ATOM 202 CD GLU A 13 -3.753 -0.314 -6.708 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.537 -0.232 -6.644 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.384 -0.296 -7.752 1.00 0.00 O ATOM 205 H GLU A 13 -2.632 0.297 -1.983 1.00 0.00 H ATOM 206 HA GLU A 13 -4.773 1.540 -3.488 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.815 0.528 -4.558 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.201 -1.030 -3.825 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.903 -1.455 -5.298 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.366 0.243 -5.410 1.00 0.00 H ATOM 211 N LYS A 14 -5.356 -1.094 -1.681 1.00 0.00 N ATOM 212 CA LYS A 14 -6.447 -1.927 -1.165 1.00 0.00 C ATOM 213 C LYS A 14 -7.257 -1.084 -0.207 1.00 0.00 C ATOM 214 O LYS A 14 -8.429 -1.277 -0.049 1.00 0.00 O ATOM 215 CB LYS A 14 -5.771 -3.088 -0.439 1.00 0.00 C ATOM 216 CG LYS A 14 -6.838 -3.992 0.182 1.00 0.00 C ATOM 217 CD LYS A 14 -6.218 -4.804 1.321 1.00 0.00 C ATOM 218 CE LYS A 14 -6.428 -4.064 2.643 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.173 -3.293 2.854 1.00 0.00 N ATOM 220 H LYS A 14 -4.482 -1.143 -1.267 1.00 0.00 H ATOM 221 HA LYS A 14 -7.058 -2.286 -1.970 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.180 -3.657 -1.143 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.132 -2.702 0.340 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.644 -3.385 0.568 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.222 -4.665 -0.570 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.693 -5.774 1.371 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.161 -4.928 1.143 1.00 0.00 H ATOM 228 HE2 LYS A 14 -7.276 -3.397 2.567 1.00 0.00 H ATOM 229 HE3 LYS A 14 -6.571 -4.767 3.448 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.214 -2.407 2.312 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -4.360 -3.859 2.533 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.067 -3.073 3.865 1.00 0.00 H ATOM 233 N PHE A 15 -6.636 -0.123 0.411 1.00 0.00 N ATOM 234 CA PHE A 15 -7.388 0.749 1.341 1.00 0.00 C ATOM 235 C PHE A 15 -8.214 1.736 0.526 1.00 0.00 C ATOM 236 O PHE A 15 -9.259 2.190 0.947 1.00 0.00 O ATOM 237 CB PHE A 15 -6.323 1.465 2.180 1.00 0.00 C ATOM 238 CG PHE A 15 -6.881 2.760 2.722 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.693 2.752 3.862 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.590 3.969 2.078 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.213 3.954 4.359 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.111 5.170 2.574 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.923 5.162 3.715 1.00 0.00 C ATOM 244 H PHE A 15 -5.685 0.035 0.247 1.00 0.00 H ATOM 245 HA PHE A 15 -8.023 0.157 1.967 1.00 0.00 H ATOM 246 HB2 PHE A 15 -6.029 0.829 3.002 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.462 1.675 1.564 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.917 1.820 4.359 1.00 0.00 H ATOM 249 HD2 PHE A 15 -5.963 3.975 1.198 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.841 3.948 5.239 1.00 0.00 H ATOM 251 HE2 PHE A 15 -6.886 6.101 2.077 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.325 6.088 4.097 1.00 0.00 H ATOM 253 N LYS A 16 -7.755 2.058 -0.647 1.00 0.00 N ATOM 254 CA LYS A 16 -8.516 3.002 -1.500 1.00 0.00 C ATOM 255 C LYS A 16 -9.660 2.255 -2.187 1.00 0.00 C ATOM 256 O LYS A 16 -10.672 2.832 -2.537 1.00 0.00 O ATOM 257 CB LYS A 16 -7.509 3.523 -2.525 1.00 0.00 C ATOM 258 CG LYS A 16 -8.182 4.571 -3.414 1.00 0.00 C ATOM 259 CD LYS A 16 -7.240 5.763 -3.605 1.00 0.00 C ATOM 260 CE LYS A 16 -7.618 6.874 -2.624 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.900 7.425 -3.143 1.00 0.00 N ATOM 262 H LYS A 16 -6.913 1.673 -0.967 1.00 0.00 H ATOM 263 HA LYS A 16 -8.895 3.813 -0.904 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.672 3.970 -2.010 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.162 2.705 -3.137 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.410 4.134 -4.377 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.094 4.909 -2.947 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.223 5.450 -3.422 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.328 6.133 -4.616 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.754 6.467 -1.631 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.861 7.643 -2.616 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -9.104 8.331 -2.676 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -9.671 6.752 -2.948 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -8.823 7.576 -4.169 1.00 0.00 H ATOM 275 N GLU A 17 -9.512 0.969 -2.371 1.00 0.00 N ATOM 276 CA GLU A 17 -10.592 0.179 -3.020 1.00 0.00 C ATOM 277 C GLU A 17 -11.404 -0.554 -1.951 1.00 0.00 C ATOM 278 O GLU A 17 -12.543 -0.922 -2.155 1.00 0.00 O ATOM 279 CB GLU A 17 -9.875 -0.815 -3.930 1.00 0.00 C ATOM 280 CG GLU A 17 -9.523 -0.134 -5.255 1.00 0.00 C ATOM 281 CD GLU A 17 -10.796 0.411 -5.904 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.162 1.532 -5.596 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.384 -0.304 -6.700 1.00 0.00 O ATOM 284 H GLU A 17 -8.694 0.523 -2.072 1.00 0.00 H ATOM 285 HA GLU A 17 -11.221 0.820 -3.600 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.973 -1.155 -3.447 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.523 -1.656 -4.123 1.00 0.00 H ATOM 288 HG2 GLU A 17 -8.836 0.679 -5.069 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.062 -0.851 -5.916 1.00 0.00 H ATOM 290 N ALA A 18 -10.816 -0.755 -0.806 1.00 0.00 N ATOM 291 CA ALA A 18 -11.522 -1.446 0.302 1.00 0.00 C ATOM 292 C ALA A 18 -12.286 -0.413 1.128 1.00 0.00 C ATOM 293 O ALA A 18 -13.193 -0.731 1.871 1.00 0.00 O ATOM 294 CB ALA A 18 -10.409 -2.089 1.131 1.00 0.00 C ATOM 295 H ALA A 18 -9.907 -0.438 -0.671 1.00 0.00 H ATOM 296 HA ALA A 18 -12.185 -2.197 -0.085 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.776 -1.315 1.545 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.813 -2.731 0.493 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.835 -2.671 1.929 1.00 0.00 H ATOM 300 N PHE A 19 -11.914 0.830 0.992 1.00 0.00 N ATOM 301 CA PHE A 19 -12.594 1.909 1.749 1.00 0.00 C ATOM 302 C PHE A 19 -12.407 3.253 1.042 1.00 0.00 C ATOM 303 O PHE A 19 -11.681 4.107 1.511 1.00 0.00 O ATOM 304 CB PHE A 19 -11.915 1.925 3.110 1.00 0.00 C ATOM 305 CG PHE A 19 -12.759 1.158 4.099 1.00 0.00 C ATOM 306 CD1 PHE A 19 -13.962 1.702 4.561 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.343 -0.101 4.548 1.00 0.00 C ATOM 308 CE1 PHE A 19 -14.748 0.990 5.475 1.00 0.00 C ATOM 309 CE2 PHE A 19 -13.130 -0.814 5.461 1.00 0.00 C ATOM 310 CZ PHE A 19 -14.333 -0.269 5.924 1.00 0.00 C ATOM 311 H PHE A 19 -11.183 1.051 0.388 1.00 0.00 H ATOM 312 HA PHE A 19 -13.634 1.684 1.863 1.00 0.00 H ATOM 313 HB2 PHE A 19 -10.942 1.464 3.026 1.00 0.00 H ATOM 314 HB3 PHE A 19 -11.806 2.945 3.442 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.284 2.674 4.215 1.00 0.00 H ATOM 316 HD2 PHE A 19 -11.414 -0.522 4.191 1.00 0.00 H ATOM 317 HE1 PHE A 19 -15.676 1.411 5.833 1.00 0.00 H ATOM 318 HE2 PHE A 19 -12.808 -1.786 5.807 1.00 0.00 H ATOM 319 HZ PHE A 19 -14.940 -0.819 6.627 1.00 0.00 H HETATM 320 N NH2 A 20 -13.034 3.477 -0.079 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.921 4.335 -0.540 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.620 2.789 -0.459 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 68 HETATM 1 C ACE A 1 12.315 -0.804 -0.697 1.00 0.00 C HETATM 2 O ACE A 1 11.373 -0.047 -0.570 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.391 -0.915 0.370 1.00 0.00 C HETATM 4 H1 ACE A 1 12.965 -0.673 1.334 1.00 0.00 H HETATM 5 H2 ACE A 1 14.193 -0.233 0.144 1.00 0.00 H HETATM 6 H3 ACE A 1 13.770 -1.927 0.389 1.00 0.00 H ATOM 7 N ASP A 2 12.415 -1.593 -1.723 1.00 0.00 N ATOM 8 CA ASP A 2 11.373 -1.577 -2.761 1.00 0.00 C ATOM 9 C ASP A 2 10.213 -2.345 -2.176 1.00 0.00 C ATOM 10 O ASP A 2 9.065 -2.081 -2.446 1.00 0.00 O ATOM 11 CB ASP A 2 11.973 -2.296 -3.966 1.00 0.00 C ATOM 12 CG ASP A 2 12.842 -1.323 -4.764 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.504 -0.503 -4.147 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.833 -1.414 -5.981 1.00 0.00 O ATOM 15 H ASP A 2 13.141 -2.229 -1.779 1.00 0.00 H ATOM 16 HA ASP A 2 11.094 -0.572 -3.011 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.576 -3.123 -3.624 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.178 -2.663 -4.596 1.00 0.00 H ATOM 19 N TRP A 3 10.542 -3.282 -1.324 1.00 0.00 N ATOM 20 CA TRP A 3 9.514 -4.083 -0.639 1.00 0.00 C ATOM 21 C TRP A 3 8.765 -3.175 0.345 1.00 0.00 C ATOM 22 O TRP A 3 7.644 -3.440 0.731 1.00 0.00 O ATOM 23 CB TRP A 3 10.308 -5.159 0.107 1.00 0.00 C ATOM 24 CG TRP A 3 11.293 -4.462 0.975 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.957 -3.667 2.003 1.00 0.00 C ATOM 26 CD2 TRP A 3 12.750 -4.467 0.920 1.00 0.00 C ATOM 27 NE1 TRP A 3 12.089 -3.119 2.536 1.00 0.00 N ATOM 28 CE2 TRP A 3 13.230 -3.601 1.931 1.00 0.00 C ATOM 29 CE3 TRP A 3 13.690 -5.112 0.097 1.00 0.00 C ATOM 30 CZ2 TRP A 3 14.595 -3.386 2.126 1.00 0.00 C ATOM 31 CZ3 TRP A 3 15.066 -4.902 0.294 1.00 0.00 C ATOM 32 CH2 TRP A 3 15.517 -4.041 1.306 1.00 0.00 C ATOM 33 H TRP A 3 11.483 -3.435 -1.114 1.00 0.00 H ATOM 34 HA TRP A 3 8.857 -4.524 -1.347 1.00 0.00 H ATOM 35 HB2 TRP A 3 9.640 -5.756 0.712 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.827 -5.787 -0.602 1.00 0.00 H ATOM 37 HD1 TRP A 3 9.950 -3.447 2.321 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.099 -2.480 3.260 1.00 0.00 H ATOM 39 HE3 TRP A 3 13.354 -5.776 -0.684 1.00 0.00 H ATOM 40 HZ2 TRP A 3 14.935 -2.722 2.906 1.00 0.00 H ATOM 41 HZ3 TRP A 3 15.781 -5.408 -0.338 1.00 0.00 H ATOM 42 HH2 TRP A 3 16.576 -3.885 1.452 1.00 0.00 H ATOM 43 N PHE A 4 9.395 -2.094 0.752 1.00 0.00 N ATOM 44 CA PHE A 4 8.750 -1.157 1.704 1.00 0.00 C ATOM 45 C PHE A 4 7.797 -0.294 0.914 1.00 0.00 C ATOM 46 O PHE A 4 6.605 -0.291 1.136 1.00 0.00 O ATOM 47 CB PHE A 4 9.893 -0.327 2.293 1.00 0.00 C ATOM 48 CG PHE A 4 9.356 0.592 3.366 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.232 0.131 4.684 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.985 1.903 3.045 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.739 0.983 5.678 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.492 2.755 4.040 1.00 0.00 C ATOM 53 CZ PHE A 4 8.367 2.295 5.357 1.00 0.00 C ATOM 54 H PHE A 4 10.293 -1.904 0.424 1.00 0.00 H ATOM 55 HA PHE A 4 8.238 -1.697 2.476 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.631 -0.987 2.722 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.348 0.263 1.512 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.518 -0.880 4.930 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.082 2.257 2.030 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.643 0.629 6.694 1.00 0.00 H ATOM 61 HE2 PHE A 4 8.207 3.766 3.791 1.00 0.00 H ATOM 62 HZ PHE A 4 7.987 2.952 6.124 1.00 0.00 H ATOM 63 N LYS A 5 8.310 0.389 -0.063 1.00 0.00 N ATOM 64 CA LYS A 5 7.423 1.191 -0.921 1.00 0.00 C ATOM 65 C LYS A 5 6.468 0.219 -1.603 1.00 0.00 C ATOM 66 O LYS A 5 5.431 0.592 -2.120 1.00 0.00 O ATOM 67 CB LYS A 5 8.340 1.858 -1.943 1.00 0.00 C ATOM 68 CG LYS A 5 9.400 2.684 -1.215 1.00 0.00 C ATOM 69 CD LYS A 5 10.138 3.569 -2.221 1.00 0.00 C ATOM 70 CE LYS A 5 9.126 4.428 -2.983 1.00 0.00 C ATOM 71 NZ LYS A 5 9.838 5.706 -3.269 1.00 0.00 N ATOM 72 H LYS A 5 9.268 0.331 -0.257 1.00 0.00 H ATOM 73 HA LYS A 5 6.891 1.926 -0.345 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.822 1.099 -2.543 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.757 2.505 -2.581 1.00 0.00 H ATOM 76 HG2 LYS A 5 8.923 3.305 -0.470 1.00 0.00 H ATOM 77 HG3 LYS A 5 10.105 2.023 -0.736 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.831 4.209 -1.694 1.00 0.00 H ATOM 79 HD3 LYS A 5 10.678 2.948 -2.918 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.841 3.939 -3.906 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.257 4.618 -2.373 1.00 0.00 H ATOM 82 HZ1 LYS A 5 9.177 6.501 -3.168 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.212 5.684 -4.240 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.622 5.826 -2.597 1.00 0.00 H ATOM 85 N ALA A 6 6.818 -1.048 -1.592 1.00 0.00 N ATOM 86 CA ALA A 6 5.946 -2.069 -2.223 1.00 0.00 C ATOM 87 C ALA A 6 4.796 -2.423 -1.282 1.00 0.00 C ATOM 88 O ALA A 6 3.718 -2.787 -1.706 1.00 0.00 O ATOM 89 CB ALA A 6 6.857 -3.267 -2.448 1.00 0.00 C ATOM 90 H ALA A 6 7.661 -1.329 -1.156 1.00 0.00 H ATOM 91 HA ALA A 6 5.572 -1.716 -3.160 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.497 -3.387 -1.592 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.464 -3.094 -3.327 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.264 -4.155 -2.586 1.00 0.00 H ATOM 95 N PHE A 7 5.016 -2.302 -0.002 1.00 0.00 N ATOM 96 CA PHE A 7 3.941 -2.614 0.970 1.00 0.00 C ATOM 97 C PHE A 7 2.985 -1.430 1.061 1.00 0.00 C ATOM 98 O PHE A 7 1.791 -1.560 0.881 1.00 0.00 O ATOM 99 CB PHE A 7 4.661 -2.826 2.301 1.00 0.00 C ATOM 100 CG PHE A 7 5.325 -4.186 2.325 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.561 -4.884 1.133 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.708 -4.749 3.550 1.00 0.00 C ATOM 103 CE1 PHE A 7 6.176 -6.141 1.167 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.324 -6.005 3.582 1.00 0.00 C ATOM 105 CZ PHE A 7 6.558 -6.700 2.390 1.00 0.00 C ATOM 106 H PHE A 7 5.886 -1.998 0.319 1.00 0.00 H ATOM 107 HA PHE A 7 3.422 -3.503 0.682 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.410 -2.061 2.424 1.00 0.00 H ATOM 109 HB3 PHE A 7 3.946 -2.762 3.107 1.00 0.00 H ATOM 110 HD1 PHE A 7 5.268 -4.455 0.187 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.530 -4.213 4.470 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.356 -6.677 0.248 1.00 0.00 H ATOM 113 HE2 PHE A 7 6.618 -6.438 4.526 1.00 0.00 H ATOM 114 HZ PHE A 7 7.033 -7.669 2.415 1.00 0.00 H ATOM 115 N TYR A 8 3.513 -0.271 1.328 1.00 0.00 N ATOM 116 CA TYR A 8 2.657 0.940 1.421 1.00 0.00 C ATOM 117 C TYR A 8 1.901 1.138 0.110 1.00 0.00 C ATOM 118 O TYR A 8 0.821 1.693 0.076 1.00 0.00 O ATOM 119 CB TYR A 8 3.638 2.084 1.649 1.00 0.00 C ATOM 120 CG TYR A 8 3.090 3.035 2.684 1.00 0.00 C ATOM 121 CD1 TYR A 8 1.778 3.510 2.574 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.896 3.448 3.750 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.272 4.397 3.529 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.391 4.336 4.707 1.00 0.00 C ATOM 125 CZ TYR A 8 2.079 4.810 4.596 1.00 0.00 C ATOM 126 OH TYR A 8 1.579 5.688 5.537 1.00 0.00 O ATOM 127 H TYR A 8 4.478 -0.195 1.456 1.00 0.00 H ATOM 128 HA TYR A 8 1.978 0.864 2.249 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.579 1.682 1.993 1.00 0.00 H ATOM 130 HB3 TYR A 8 3.789 2.612 0.721 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.155 3.189 1.751 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.909 3.080 3.834 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.261 4.764 3.444 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.014 4.654 5.530 1.00 0.00 H ATOM 135 HH TYR A 8 0.857 6.176 5.132 1.00 0.00 H ATOM 136 N ASP A 9 2.467 0.684 -0.974 1.00 0.00 N ATOM 137 CA ASP A 9 1.795 0.838 -2.288 1.00 0.00 C ATOM 138 C ASP A 9 0.576 -0.084 -2.366 1.00 0.00 C ATOM 139 O ASP A 9 -0.532 0.352 -2.604 1.00 0.00 O ATOM 140 CB ASP A 9 2.852 0.431 -3.316 1.00 0.00 C ATOM 141 CG ASP A 9 2.182 0.143 -4.660 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.942 1.087 -5.394 1.00 0.00 O ATOM 143 OD2 ASP A 9 1.920 -1.017 -4.932 1.00 0.00 O ATOM 144 H ASP A 9 3.337 0.238 -0.920 1.00 0.00 H ATOM 145 HA ASP A 9 1.507 1.863 -2.444 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.567 1.232 -3.431 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.361 -0.458 -2.971 1.00 0.00 H ATOM 148 N LYS A 10 0.774 -1.357 -2.170 1.00 0.00 N ATOM 149 CA LYS A 10 -0.372 -2.307 -2.236 1.00 0.00 C ATOM 150 C LYS A 10 -1.445 -1.945 -1.200 1.00 0.00 C ATOM 151 O LYS A 10 -2.606 -1.798 -1.525 1.00 0.00 O ATOM 152 CB LYS A 10 0.229 -3.674 -1.921 1.00 0.00 C ATOM 153 CG LYS A 10 1.169 -4.086 -3.053 1.00 0.00 C ATOM 154 CD LYS A 10 0.950 -5.562 -3.389 1.00 0.00 C ATOM 155 CE LYS A 10 1.159 -6.417 -2.134 1.00 0.00 C ATOM 156 NZ LYS A 10 1.336 -7.805 -2.644 1.00 0.00 N ATOM 157 H LYS A 10 1.679 -1.692 -1.984 1.00 0.00 H ATOM 158 HA LYS A 10 -0.794 -2.316 -3.226 1.00 0.00 H ATOM 159 HB2 LYS A 10 0.781 -3.619 -0.995 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.561 -4.402 -1.830 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.963 -3.485 -3.927 1.00 0.00 H ATOM 162 HG3 LYS A 10 2.193 -3.937 -2.745 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.057 -5.701 -3.755 1.00 0.00 H ATOM 164 HD3 LYS A 10 1.653 -5.865 -4.148 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.043 -6.091 -1.601 1.00 0.00 H ATOM 166 HE3 LYS A 10 0.293 -6.366 -1.493 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.735 -8.405 -1.895 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.982 -7.794 -3.459 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.415 -8.189 -2.937 1.00 0.00 H ATOM 170 N VAL A 11 -1.070 -1.814 0.045 1.00 0.00 N ATOM 171 CA VAL A 11 -2.078 -1.481 1.095 1.00 0.00 C ATOM 172 C VAL A 11 -2.897 -0.248 0.702 1.00 0.00 C ATOM 173 O VAL A 11 -4.112 -0.285 0.677 1.00 0.00 O ATOM 174 CB VAL A 11 -1.274 -1.208 2.372 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.749 -2.527 2.940 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.089 -0.283 2.069 1.00 0.00 C ATOM 177 H VAL A 11 -0.131 -1.945 0.292 1.00 0.00 H ATOM 178 HA VAL A 11 -2.733 -2.321 1.254 1.00 0.00 H ATOM 179 HB VAL A 11 -1.919 -0.739 3.102 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.847 -2.520 4.016 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.290 -2.645 2.675 1.00 0.00 H ATOM 182 HG13 VAL A 11 -1.321 -3.347 2.534 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.305 0.709 2.439 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.079 -0.241 1.004 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.795 -0.662 2.558 1.00 0.00 H ATOM 186 N ALA A 12 -2.253 0.844 0.403 1.00 0.00 N ATOM 187 CA ALA A 12 -3.011 2.068 0.023 1.00 0.00 C ATOM 188 C ALA A 12 -3.941 1.776 -1.149 1.00 0.00 C ATOM 189 O ALA A 12 -4.961 2.415 -1.316 1.00 0.00 O ATOM 190 CB ALA A 12 -1.952 3.090 -0.361 1.00 0.00 C ATOM 191 H ALA A 12 -1.274 0.862 0.432 1.00 0.00 H ATOM 192 HA ALA A 12 -3.577 2.428 0.858 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.368 4.083 -0.282 1.00 0.00 H ATOM 194 HB2 ALA A 12 -1.633 2.910 -1.375 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.109 2.995 0.305 1.00 0.00 H ATOM 196 N GLU A 13 -3.611 0.810 -1.955 1.00 0.00 N ATOM 197 CA GLU A 13 -4.494 0.480 -3.096 1.00 0.00 C ATOM 198 C GLU A 13 -5.698 -0.297 -2.579 1.00 0.00 C ATOM 199 O GLU A 13 -6.783 -0.234 -3.126 1.00 0.00 O ATOM 200 CB GLU A 13 -3.647 -0.387 -4.027 1.00 0.00 C ATOM 201 CG GLU A 13 -4.529 -0.958 -5.139 1.00 0.00 C ATOM 202 CD GLU A 13 -4.604 0.040 -6.295 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.054 1.151 -6.065 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.207 -0.321 -7.391 1.00 0.00 O ATOM 205 H GLU A 13 -2.795 0.297 -1.803 1.00 0.00 H ATOM 206 HA GLU A 13 -4.806 1.376 -3.595 1.00 0.00 H ATOM 207 HB2 GLU A 13 -2.860 0.211 -4.461 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.213 -1.199 -3.463 1.00 0.00 H ATOM 209 HG2 GLU A 13 -4.107 -1.888 -5.492 1.00 0.00 H ATOM 210 HG3 GLU A 13 -5.524 -1.135 -4.756 1.00 0.00 H ATOM 211 N LYS A 14 -5.513 -1.016 -1.510 1.00 0.00 N ATOM 212 CA LYS A 14 -6.633 -1.788 -0.934 1.00 0.00 C ATOM 213 C LYS A 14 -7.461 -0.879 -0.045 1.00 0.00 C ATOM 214 O LYS A 14 -8.621 -1.120 0.201 1.00 0.00 O ATOM 215 CB LYS A 14 -5.983 -2.900 -0.114 1.00 0.00 C ATOM 216 CG LYS A 14 -5.341 -3.921 -1.054 1.00 0.00 C ATOM 217 CD LYS A 14 -5.857 -5.322 -0.715 1.00 0.00 C ATOM 218 CE LYS A 14 -4.915 -5.984 0.295 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.392 -7.195 -0.398 1.00 0.00 N ATOM 220 H LYS A 14 -4.639 -1.034 -1.077 1.00 0.00 H ATOM 221 HA LYS A 14 -7.235 -2.203 -1.711 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.227 -2.475 0.529 1.00 0.00 H ATOM 223 HB3 LYS A 14 -6.733 -3.389 0.486 1.00 0.00 H ATOM 224 HG2 LYS A 14 -5.596 -3.679 -2.076 1.00 0.00 H ATOM 225 HG3 LYS A 14 -4.268 -3.896 -0.936 1.00 0.00 H ATOM 226 HD2 LYS A 14 -6.847 -5.244 -0.289 1.00 0.00 H ATOM 227 HD3 LYS A 14 -5.896 -5.920 -1.613 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.106 -5.314 0.548 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.458 -6.272 1.182 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -5.157 -7.891 -0.507 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -3.622 -7.611 0.166 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -4.032 -6.931 -1.337 1.00 0.00 H ATOM 233 N PHE A 15 -6.881 0.180 0.427 1.00 0.00 N ATOM 234 CA PHE A 15 -7.654 1.099 1.281 1.00 0.00 C ATOM 235 C PHE A 15 -8.424 2.067 0.399 1.00 0.00 C ATOM 236 O PHE A 15 -9.459 2.578 0.768 1.00 0.00 O ATOM 237 CB PHE A 15 -6.630 1.831 2.141 1.00 0.00 C ATOM 238 CG PHE A 15 -7.317 2.396 3.357 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.453 1.613 4.510 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.824 3.700 3.332 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.096 2.135 5.638 1.00 0.00 C ATOM 242 CE2 PHE A 15 -8.469 4.221 4.460 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.605 3.438 5.612 1.00 0.00 C ATOM 244 H PHE A 15 -5.947 0.372 0.209 1.00 0.00 H ATOM 245 HA PHE A 15 -8.327 0.543 1.895 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.861 1.140 2.449 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.189 2.634 1.571 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.059 0.607 4.529 1.00 0.00 H ATOM 249 HD2 PHE A 15 -7.719 4.303 2.442 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.201 1.530 6.526 1.00 0.00 H ATOM 251 HE2 PHE A 15 -8.861 5.228 4.440 1.00 0.00 H ATOM 252 HZ PHE A 15 -9.103 3.840 6.482 1.00 0.00 H ATOM 253 N LYS A 16 -7.936 2.304 -0.778 1.00 0.00 N ATOM 254 CA LYS A 16 -8.654 3.218 -1.689 1.00 0.00 C ATOM 255 C LYS A 16 -9.734 2.439 -2.427 1.00 0.00 C ATOM 256 O LYS A 16 -10.742 2.982 -2.836 1.00 0.00 O ATOM 257 CB LYS A 16 -7.596 3.733 -2.662 1.00 0.00 C ATOM 258 CG LYS A 16 -8.251 4.656 -3.691 1.00 0.00 C ATOM 259 CD LYS A 16 -7.445 5.952 -3.796 1.00 0.00 C ATOM 260 CE LYS A 16 -7.345 6.602 -2.414 1.00 0.00 C ATOM 261 NZ LYS A 16 -8.253 7.781 -2.476 1.00 0.00 N ATOM 262 H LYS A 16 -7.109 1.867 -1.067 1.00 0.00 H ATOM 263 HA LYS A 16 -9.082 4.029 -1.136 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.840 4.280 -2.116 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.139 2.898 -3.171 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.274 4.163 -4.653 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.259 4.886 -3.379 1.00 0.00 H ATOM 268 HD2 LYS A 16 -6.453 5.727 -4.163 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.937 6.628 -4.478 1.00 0.00 H ATOM 270 HE2 LYS A 16 -7.673 5.911 -1.650 1.00 0.00 H ATOM 271 HE3 LYS A 16 -6.333 6.925 -2.221 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -9.204 7.504 -2.159 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.300 8.132 -3.454 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -7.889 8.531 -1.856 1.00 0.00 H ATOM 275 N GLU A 17 -9.535 1.161 -2.591 1.00 0.00 N ATOM 276 CA GLU A 17 -10.550 0.340 -3.292 1.00 0.00 C ATOM 277 C GLU A 17 -11.373 -0.450 -2.283 1.00 0.00 C ATOM 278 O GLU A 17 -12.586 -0.495 -2.347 1.00 0.00 O ATOM 279 CB GLU A 17 -9.757 -0.592 -4.202 1.00 0.00 C ATOM 280 CG GLU A 17 -9.386 0.151 -5.486 1.00 0.00 C ATOM 281 CD GLU A 17 -10.643 0.359 -6.334 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.726 0.121 -5.822 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.503 0.756 -7.479 1.00 0.00 O ATOM 284 H GLU A 17 -8.723 0.743 -2.242 1.00 0.00 H ATOM 285 HA GLU A 17 -11.182 0.968 -3.873 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.859 -0.909 -3.693 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.359 -1.453 -4.446 1.00 0.00 H ATOM 288 HG2 GLU A 17 -8.957 1.111 -5.234 1.00 0.00 H ATOM 289 HG3 GLU A 17 -8.669 -0.430 -6.045 1.00 0.00 H ATOM 290 N ALA A 18 -10.716 -1.069 -1.352 1.00 0.00 N ATOM 291 CA ALA A 18 -11.433 -1.857 -0.326 1.00 0.00 C ATOM 292 C ALA A 18 -11.831 -0.949 0.834 1.00 0.00 C ATOM 293 O ALA A 18 -12.663 -1.299 1.647 1.00 0.00 O ATOM 294 CB ALA A 18 -10.417 -2.898 0.131 1.00 0.00 C ATOM 295 H ALA A 18 -9.743 -1.016 -1.326 1.00 0.00 H ATOM 296 HA ALA A 18 -12.291 -2.338 -0.753 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.569 -2.888 -0.540 1.00 0.00 H ATOM 298 HB2 ALA A 18 -10.871 -3.874 0.124 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.083 -2.658 1.131 1.00 0.00 H ATOM 300 N PHE A 19 -11.238 0.219 0.904 1.00 0.00 N ATOM 301 CA PHE A 19 -11.559 1.179 2.010 1.00 0.00 C ATOM 302 C PHE A 19 -11.944 0.430 3.291 1.00 0.00 C ATOM 303 O PHE A 19 -12.830 0.842 4.011 1.00 0.00 O ATOM 304 CB PHE A 19 -12.733 2.011 1.492 1.00 0.00 C ATOM 305 CG PHE A 19 -13.861 1.099 1.082 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.821 0.706 2.022 1.00 0.00 C ATOM 307 CD2 PHE A 19 -13.948 0.646 -0.239 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.868 -0.141 1.640 1.00 0.00 C ATOM 309 CE2 PHE A 19 -14.995 -0.200 -0.621 1.00 0.00 C ATOM 310 CZ PHE A 19 -15.956 -0.593 0.319 1.00 0.00 C ATOM 311 H PHE A 19 -10.573 0.467 0.217 1.00 0.00 H ATOM 312 HA PHE A 19 -10.717 1.819 2.202 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.075 2.676 2.271 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.413 2.590 0.639 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.754 1.055 3.040 1.00 0.00 H ATOM 316 HD2 PHE A 19 -13.208 0.950 -0.962 1.00 0.00 H ATOM 317 HE1 PHE A 19 -16.609 -0.443 2.366 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.062 -0.549 -1.640 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.762 -1.247 0.024 1.00 0.00 H HETATM 320 N NH2 A 20 -11.302 -0.661 3.607 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.535 -1.149 4.424 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -10.587 -0.993 3.025 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 69 HETATM 1 C ACE A 1 12.250 -1.515 -0.542 1.00 0.00 C HETATM 2 O ACE A 1 11.301 -0.760 -0.445 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.205 -1.736 0.623 1.00 0.00 C HETATM 4 H1 ACE A 1 12.637 -1.784 1.542 1.00 0.00 H HETATM 5 H2 ACE A 1 13.907 -0.921 0.671 1.00 0.00 H HETATM 6 H3 ACE A 1 13.734 -2.666 0.478 1.00 0.00 H ATOM 7 N ASP A 2 12.459 -2.199 -1.629 1.00 0.00 N ATOM 8 CA ASP A 2 11.530 -2.055 -2.758 1.00 0.00 C ATOM 9 C ASP A 2 10.219 -2.614 -2.263 1.00 0.00 C ATOM 10 O ASP A 2 9.158 -2.130 -2.578 1.00 0.00 O ATOM 11 CB ASP A 2 12.110 -2.912 -3.884 1.00 0.00 C ATOM 12 CG ASP A 2 13.264 -2.166 -4.558 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.251 -1.911 -3.888 1.00 0.00 O ATOM 14 OD2 ASP A 2 13.142 -1.864 -5.734 1.00 0.00 O ATOM 15 H ASP A 2 13.188 -2.832 -1.680 1.00 0.00 H ATOM 16 HA ASP A 2 11.439 -1.030 -3.058 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.473 -3.843 -3.474 1.00 0.00 H ATOM 18 HB3 ASP A 2 11.341 -3.113 -4.613 1.00 0.00 H ATOM 19 N TRP A 3 10.326 -3.625 -1.441 1.00 0.00 N ATOM 20 CA TRP A 3 9.136 -4.264 -0.840 1.00 0.00 C ATOM 21 C TRP A 3 8.502 -3.312 0.191 1.00 0.00 C ATOM 22 O TRP A 3 7.387 -3.502 0.628 1.00 0.00 O ATOM 23 CB TRP A 3 9.693 -5.525 -0.151 1.00 0.00 C ATOM 24 CG TRP A 3 10.215 -5.133 1.190 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.972 -4.044 1.409 1.00 0.00 C ATOM 26 CD2 TRP A 3 10.027 -5.772 2.487 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.225 -3.933 2.747 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.686 -4.987 3.462 1.00 0.00 C ATOM 29 CE3 TRP A 3 9.358 -6.933 2.911 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.679 -5.336 4.812 1.00 0.00 C ATOM 31 CZ3 TRP A 3 9.353 -7.293 4.270 1.00 0.00 C ATOM 32 CH2 TRP A 3 10.014 -6.496 5.217 1.00 0.00 C ATOM 33 H TRP A 3 11.212 -3.954 -1.202 1.00 0.00 H ATOM 34 HA TRP A 3 8.438 -4.536 -1.596 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.905 -6.255 -0.038 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.494 -5.939 -0.745 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.298 -3.347 0.655 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.730 -3.208 3.150 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.847 -7.552 2.190 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.190 -4.721 5.537 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.838 -8.188 4.587 1.00 0.00 H ATOM 42 HH2 TRP A 3 10.007 -6.778 6.260 1.00 0.00 H ATOM 43 N PHE A 4 9.222 -2.290 0.585 1.00 0.00 N ATOM 44 CA PHE A 4 8.691 -1.332 1.585 1.00 0.00 C ATOM 45 C PHE A 4 7.827 -0.333 0.855 1.00 0.00 C ATOM 46 O PHE A 4 6.624 -0.293 1.015 1.00 0.00 O ATOM 47 CB PHE A 4 9.920 -0.660 2.183 1.00 0.00 C ATOM 48 CG PHE A 4 9.753 -0.533 3.675 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.574 0.001 4.206 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.785 -0.942 4.527 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.425 0.124 5.591 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.637 -0.819 5.913 1.00 0.00 C ATOM 53 CZ PHE A 4 9.457 -0.285 6.445 1.00 0.00 C ATOM 54 H PHE A 4 10.112 -2.150 0.217 1.00 0.00 H ATOM 55 HA PHE A 4 8.136 -1.844 2.343 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.793 -1.257 1.971 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.039 0.321 1.751 1.00 0.00 H ATOM 58 HD1 PHE A 4 7.779 0.316 3.546 1.00 0.00 H ATOM 59 HD2 PHE A 4 11.694 -1.353 4.115 1.00 0.00 H ATOM 60 HE1 PHE A 4 7.515 0.536 6.002 1.00 0.00 H ATOM 61 HE2 PHE A 4 11.432 -1.133 6.571 1.00 0.00 H ATOM 62 HZ PHE A 4 9.344 -0.188 7.514 1.00 0.00 H ATOM 63 N LYS A 5 8.425 0.431 -0.004 1.00 0.00 N ATOM 64 CA LYS A 5 7.615 1.369 -0.800 1.00 0.00 C ATOM 65 C LYS A 5 6.599 0.527 -1.566 1.00 0.00 C ATOM 66 O LYS A 5 5.571 1.003 -2.011 1.00 0.00 O ATOM 67 CB LYS A 5 8.601 2.047 -1.753 1.00 0.00 C ATOM 68 CG LYS A 5 9.385 0.979 -2.518 1.00 0.00 C ATOM 69 CD LYS A 5 9.700 1.488 -3.925 1.00 0.00 C ATOM 70 CE LYS A 5 10.970 2.341 -3.890 1.00 0.00 C ATOM 71 NZ LYS A 5 11.936 1.629 -4.773 1.00 0.00 N ATOM 72 H LYS A 5 9.390 0.344 -0.158 1.00 0.00 H ATOM 73 HA LYS A 5 7.129 2.093 -0.168 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.057 2.665 -2.453 1.00 0.00 H ATOM 75 HB3 LYS A 5 9.286 2.659 -1.187 1.00 0.00 H ATOM 76 HG2 LYS A 5 10.306 0.764 -1.994 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.794 0.078 -2.589 1.00 0.00 H ATOM 78 HD2 LYS A 5 9.851 0.646 -4.586 1.00 0.00 H ATOM 79 HD3 LYS A 5 8.878 2.086 -4.285 1.00 0.00 H ATOM 80 HE2 LYS A 5 10.766 3.332 -4.272 1.00 0.00 H ATOM 81 HE3 LYS A 5 11.360 2.398 -2.884 1.00 0.00 H ATOM 82 HZ1 LYS A 5 12.572 2.318 -5.218 1.00 0.00 H ATOM 83 HZ2 LYS A 5 11.414 1.112 -5.509 1.00 0.00 H ATOM 84 HZ3 LYS A 5 12.494 0.959 -4.208 1.00 0.00 H ATOM 85 N ALA A 6 6.887 -0.749 -1.699 1.00 0.00 N ATOM 86 CA ALA A 6 5.957 -1.656 -2.414 1.00 0.00 C ATOM 87 C ALA A 6 4.808 -2.051 -1.490 1.00 0.00 C ATOM 88 O ALA A 6 3.759 -2.476 -1.929 1.00 0.00 O ATOM 89 CB ALA A 6 6.804 -2.868 -2.765 1.00 0.00 C ATOM 90 H ALA A 6 7.721 -1.114 -1.311 1.00 0.00 H ATOM 91 HA ALA A 6 5.594 -1.196 -3.307 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.167 -3.707 -2.988 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.436 -3.106 -1.926 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.420 -2.639 -3.625 1.00 0.00 H ATOM 95 N PHE A 7 5.005 -1.913 -0.209 1.00 0.00 N ATOM 96 CA PHE A 7 3.938 -2.272 0.752 1.00 0.00 C ATOM 97 C PHE A 7 3.032 -1.074 0.991 1.00 0.00 C ATOM 98 O PHE A 7 1.841 -1.124 0.757 1.00 0.00 O ATOM 99 CB PHE A 7 4.675 -2.657 2.029 1.00 0.00 C ATOM 100 CG PHE A 7 5.054 -4.117 1.974 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.171 -4.767 0.739 1.00 0.00 C ATOM 102 CD2 PHE A 7 5.294 -4.820 3.160 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.525 -6.119 0.689 1.00 0.00 C ATOM 104 CE2 PHE A 7 5.649 -6.173 3.109 1.00 0.00 C ATOM 105 CZ PHE A 7 5.765 -6.822 1.875 1.00 0.00 C ATOM 106 H PHE A 7 5.856 -1.570 0.120 1.00 0.00 H ATOM 107 HA PHE A 7 3.376 -3.105 0.387 1.00 0.00 H ATOM 108 HB2 PHE A 7 5.567 -2.057 2.118 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.033 -2.482 2.878 1.00 0.00 H ATOM 110 HD1 PHE A 7 4.985 -4.224 -0.177 1.00 0.00 H ATOM 111 HD2 PHE A 7 5.203 -4.319 4.112 1.00 0.00 H ATOM 112 HE1 PHE A 7 5.616 -6.616 -0.264 1.00 0.00 H ATOM 113 HE2 PHE A 7 5.835 -6.716 4.024 1.00 0.00 H ATOM 114 HZ PHE A 7 6.038 -7.866 1.836 1.00 0.00 H ATOM 115 N TYR A 8 3.588 0.012 1.449 1.00 0.00 N ATOM 116 CA TYR A 8 2.752 1.218 1.689 1.00 0.00 C ATOM 117 C TYR A 8 1.984 1.554 0.412 1.00 0.00 C ATOM 118 O TYR A 8 0.889 2.082 0.454 1.00 0.00 O ATOM 119 CB TYR A 8 3.738 2.325 2.056 1.00 0.00 C ATOM 120 CG TYR A 8 3.035 3.410 2.847 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.055 3.075 3.793 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.370 4.753 2.637 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.415 4.082 4.524 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.728 5.760 3.369 1.00 0.00 C ATOM 125 CZ TYR A 8 1.750 5.423 4.313 1.00 0.00 C ATOM 126 OH TYR A 8 1.117 6.415 5.035 1.00 0.00 O ATOM 127 H TYR A 8 4.553 0.035 1.623 1.00 0.00 H ATOM 128 HA TYR A 8 2.074 1.041 2.501 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.535 1.910 2.653 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.148 2.750 1.154 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.794 2.042 3.962 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.123 5.014 1.910 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.660 3.822 5.253 1.00 0.00 H ATOM 134 HE2 TYR A 8 2.988 6.797 3.206 1.00 0.00 H ATOM 135 HH TYR A 8 0.245 6.093 5.279 1.00 0.00 H ATOM 136 N ASP A 9 2.540 1.233 -0.730 1.00 0.00 N ATOM 137 CA ASP A 9 1.826 1.512 -2.003 1.00 0.00 C ATOM 138 C ASP A 9 0.715 0.477 -2.187 1.00 0.00 C ATOM 139 O ASP A 9 -0.419 0.802 -2.481 1.00 0.00 O ATOM 140 CB ASP A 9 2.887 1.376 -3.099 1.00 0.00 C ATOM 141 CG ASP A 9 2.207 1.191 -4.458 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.654 2.157 -4.959 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.253 0.088 -4.977 1.00 0.00 O ATOM 144 H ASP A 9 3.414 0.794 -0.748 1.00 0.00 H ATOM 145 HA ASP A 9 1.423 2.509 -1.995 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.497 2.267 -3.122 1.00 0.00 H ATOM 147 HB3 ASP A 9 3.510 0.519 -2.893 1.00 0.00 H ATOM 148 N LYS A 10 1.038 -0.773 -2.001 1.00 0.00 N ATOM 149 CA LYS A 10 0.013 -1.842 -2.148 1.00 0.00 C ATOM 150 C LYS A 10 -1.183 -1.548 -1.237 1.00 0.00 C ATOM 151 O LYS A 10 -2.305 -1.433 -1.688 1.00 0.00 O ATOM 152 CB LYS A 10 0.724 -3.123 -1.710 1.00 0.00 C ATOM 153 CG LYS A 10 -0.305 -4.206 -1.375 1.00 0.00 C ATOM 154 CD LYS A 10 -0.007 -5.465 -2.192 1.00 0.00 C ATOM 155 CE LYS A 10 1.481 -5.804 -2.087 1.00 0.00 C ATOM 156 NZ LYS A 10 1.539 -7.290 -2.175 1.00 0.00 N ATOM 157 H LYS A 10 1.957 -1.009 -1.758 1.00 0.00 H ATOM 158 HA LYS A 10 -0.301 -1.925 -3.175 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.364 -3.470 -2.509 1.00 0.00 H ATOM 160 HB3 LYS A 10 1.323 -2.918 -0.835 1.00 0.00 H ATOM 161 HG2 LYS A 10 -0.252 -4.439 -0.321 1.00 0.00 H ATOM 162 HG3 LYS A 10 -1.295 -3.850 -1.615 1.00 0.00 H ATOM 163 HD2 LYS A 10 -0.592 -6.289 -1.807 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.263 -5.294 -3.227 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.029 -5.354 -2.906 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.879 -5.474 -1.140 1.00 0.00 H ATOM 167 HZ1 LYS A 10 0.879 -7.619 -2.906 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.273 -7.700 -1.256 1.00 0.00 H ATOM 169 HZ3 LYS A 10 2.504 -7.587 -2.423 1.00 0.00 H ATOM 170 N VAL A 11 -0.950 -1.427 0.044 1.00 0.00 N ATOM 171 CA VAL A 11 -2.072 -1.144 0.985 1.00 0.00 C ATOM 172 C VAL A 11 -2.909 0.035 0.480 1.00 0.00 C ATOM 173 O VAL A 11 -4.122 -0.023 0.454 1.00 0.00 O ATOM 174 CB VAL A 11 -1.403 -0.800 2.315 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.656 -2.026 2.843 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.412 0.344 2.106 1.00 0.00 C ATOM 177 H VAL A 11 -0.038 -1.526 0.387 1.00 0.00 H ATOM 178 HA VAL A 11 -2.692 -2.018 1.101 1.00 0.00 H ATOM 179 HB VAL A 11 -2.156 -0.501 3.031 1.00 0.00 H ATOM 180 HG11 VAL A 11 -0.954 -2.219 3.863 1.00 0.00 H ATOM 181 HG12 VAL A 11 0.408 -1.842 2.808 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.892 -2.883 2.229 1.00 0.00 H ATOM 183 HG21 VAL A 11 -0.945 1.284 2.083 1.00 0.00 H ATOM 184 HG22 VAL A 11 0.106 0.203 1.169 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.304 0.355 2.915 1.00 0.00 H ATOM 186 N ALA A 12 -2.276 1.102 0.077 1.00 0.00 N ATOM 187 CA ALA A 12 -3.051 2.269 -0.424 1.00 0.00 C ATOM 188 C ALA A 12 -4.043 1.808 -1.485 1.00 0.00 C ATOM 189 O ALA A 12 -5.132 2.336 -1.603 1.00 0.00 O ATOM 190 CB ALA A 12 -2.013 3.213 -1.016 1.00 0.00 C ATOM 191 H ALA A 12 -1.296 1.135 0.101 1.00 0.00 H ATOM 192 HA ALA A 12 -3.567 2.752 0.381 1.00 0.00 H ATOM 193 HB1 ALA A 12 -2.013 4.136 -0.457 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.259 3.413 -2.046 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.039 2.754 -0.957 1.00 0.00 H ATOM 196 N GLU A 13 -3.690 0.812 -2.247 1.00 0.00 N ATOM 197 CA GLU A 13 -4.633 0.311 -3.273 1.00 0.00 C ATOM 198 C GLU A 13 -5.737 -0.482 -2.579 1.00 0.00 C ATOM 199 O GLU A 13 -6.843 -0.603 -3.071 1.00 0.00 O ATOM 200 CB GLU A 13 -3.808 -0.597 -4.186 1.00 0.00 C ATOM 201 CG GLU A 13 -2.718 0.221 -4.883 1.00 0.00 C ATOM 202 CD GLU A 13 -1.566 -0.702 -5.287 1.00 0.00 C ATOM 203 OE1 GLU A 13 -1.795 -1.578 -6.104 1.00 0.00 O ATOM 204 OE2 GLU A 13 -0.474 -0.515 -4.772 1.00 0.00 O ATOM 205 H GLU A 13 -2.816 0.387 -2.131 1.00 0.00 H ATOM 206 HA GLU A 13 -5.046 1.127 -3.833 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.351 -1.378 -3.597 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.453 -1.038 -4.930 1.00 0.00 H ATOM 209 HG2 GLU A 13 -3.131 0.691 -5.765 1.00 0.00 H ATOM 210 HG3 GLU A 13 -2.351 0.981 -4.209 1.00 0.00 H ATOM 211 N LYS A 14 -5.440 -1.016 -1.426 1.00 0.00 N ATOM 212 CA LYS A 14 -6.454 -1.796 -0.687 1.00 0.00 C ATOM 213 C LYS A 14 -7.290 -0.871 0.184 1.00 0.00 C ATOM 214 O LYS A 14 -8.376 -1.213 0.601 1.00 0.00 O ATOM 215 CB LYS A 14 -5.660 -2.783 0.168 1.00 0.00 C ATOM 216 CG LYS A 14 -6.624 -3.746 0.864 1.00 0.00 C ATOM 217 CD LYS A 14 -6.480 -5.140 0.252 1.00 0.00 C ATOM 218 CE LYS A 14 -5.389 -5.918 0.995 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.108 -6.669 2.060 1.00 0.00 N ATOM 220 H LYS A 14 -4.553 -0.901 -1.048 1.00 0.00 H ATOM 221 HA LYS A 14 -7.080 -2.320 -1.375 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.985 -3.342 -0.463 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.095 -2.244 0.913 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.392 -3.787 1.919 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.638 -3.400 0.731 1.00 0.00 H ATOM 226 HD2 LYS A 14 -7.419 -5.668 0.334 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.208 -5.051 -0.789 1.00 0.00 H ATOM 228 HE2 LYS A 14 -4.891 -6.600 0.321 1.00 0.00 H ATOM 229 HE3 LYS A 14 -4.678 -5.238 1.438 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.099 -6.810 1.778 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -6.074 -6.127 2.950 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.654 -7.593 2.198 1.00 0.00 H ATOM 233 N PHE A 15 -6.814 0.304 0.453 1.00 0.00 N ATOM 234 CA PHE A 15 -7.618 1.227 1.277 1.00 0.00 C ATOM 235 C PHE A 15 -8.523 2.039 0.365 1.00 0.00 C ATOM 236 O PHE A 15 -9.597 2.462 0.746 1.00 0.00 O ATOM 237 CB PHE A 15 -6.620 2.122 2.008 1.00 0.00 C ATOM 238 CG PHE A 15 -7.270 2.669 3.254 1.00 0.00 C ATOM 239 CD1 PHE A 15 -8.048 3.831 3.183 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.102 2.013 4.480 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.659 4.335 4.336 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.714 2.517 5.633 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.492 3.678 5.562 1.00 0.00 C ATOM 244 H PHE A 15 -5.945 0.582 0.102 1.00 0.00 H ATOM 245 HA PHE A 15 -8.200 0.671 1.976 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.751 1.542 2.279 1.00 0.00 H ATOM 247 HB3 PHE A 15 -6.328 2.937 1.365 1.00 0.00 H ATOM 248 HD1 PHE A 15 -8.178 4.337 2.238 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.500 1.117 4.534 1.00 0.00 H ATOM 250 HE1 PHE A 15 -9.261 5.230 4.282 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.583 2.011 6.578 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.964 4.067 6.452 1.00 0.00 H ATOM 253 N LYS A 16 -8.108 2.232 -0.852 1.00 0.00 N ATOM 254 CA LYS A 16 -8.954 2.993 -1.800 1.00 0.00 C ATOM 255 C LYS A 16 -9.910 2.033 -2.497 1.00 0.00 C ATOM 256 O LYS A 16 -10.953 2.420 -2.985 1.00 0.00 O ATOM 257 CB LYS A 16 -7.987 3.622 -2.800 1.00 0.00 C ATOM 258 CG LYS A 16 -8.763 4.538 -3.748 1.00 0.00 C ATOM 259 CD LYS A 16 -7.796 5.142 -4.767 1.00 0.00 C ATOM 260 CE LYS A 16 -8.570 5.583 -6.012 1.00 0.00 C ATOM 261 NZ LYS A 16 -9.245 4.351 -6.508 1.00 0.00 N ATOM 262 H LYS A 16 -7.251 1.857 -1.144 1.00 0.00 H ATOM 263 HA LYS A 16 -9.495 3.759 -1.279 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.245 4.199 -2.267 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.503 2.845 -3.368 1.00 0.00 H ATOM 266 HG2 LYS A 16 -9.521 3.966 -4.262 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.228 5.331 -3.183 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.301 5.995 -4.329 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.061 4.402 -5.047 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.300 6.338 -5.751 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.891 5.958 -6.761 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -10.235 4.346 -6.189 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -8.756 3.512 -6.134 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -9.218 4.334 -7.546 1.00 0.00 H ATOM 275 N GLU A 17 -9.562 0.776 -2.542 1.00 0.00 N ATOM 276 CA GLU A 17 -10.452 -0.212 -3.196 1.00 0.00 C ATOM 277 C GLU A 17 -11.226 -0.995 -2.140 1.00 0.00 C ATOM 278 O GLU A 17 -12.415 -1.215 -2.260 1.00 0.00 O ATOM 279 CB GLU A 17 -9.527 -1.122 -4.001 1.00 0.00 C ATOM 280 CG GLU A 17 -8.864 -0.310 -5.116 1.00 0.00 C ATOM 281 CD GLU A 17 -7.561 -0.987 -5.545 1.00 0.00 C ATOM 282 OE1 GLU A 17 -7.220 -2.001 -4.959 1.00 0.00 O ATOM 283 OE2 GLU A 17 -6.925 -0.479 -6.453 1.00 0.00 O ATOM 284 H GLU A 17 -8.723 0.483 -2.133 1.00 0.00 H ATOM 285 HA GLU A 17 -11.127 0.294 -3.847 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.770 -1.531 -3.349 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.103 -1.924 -4.437 1.00 0.00 H ATOM 288 HG2 GLU A 17 -9.533 -0.248 -5.961 1.00 0.00 H ATOM 289 HG3 GLU A 17 -8.648 0.684 -4.755 1.00 0.00 H ATOM 290 N ALA A 18 -10.559 -1.407 -1.104 1.00 0.00 N ATOM 291 CA ALA A 18 -11.245 -2.163 -0.031 1.00 0.00 C ATOM 292 C ALA A 18 -11.817 -1.187 0.996 1.00 0.00 C ATOM 293 O ALA A 18 -12.655 -1.540 1.803 1.00 0.00 O ATOM 294 CB ALA A 18 -10.149 -3.018 0.601 1.00 0.00 C ATOM 295 H ALA A 18 -9.607 -1.216 -1.028 1.00 0.00 H ATOM 296 HA ALA A 18 -12.014 -2.787 -0.443 1.00 0.00 H ATOM 297 HB1 ALA A 18 -10.524 -4.012 0.782 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.841 -2.571 1.535 1.00 0.00 H ATOM 299 HB3 ALA A 18 -9.302 -3.066 -0.068 1.00 0.00 H ATOM 300 N PHE A 19 -11.354 0.039 0.963 1.00 0.00 N ATOM 301 CA PHE A 19 -11.835 1.078 1.933 1.00 0.00 C ATOM 302 C PHE A 19 -12.219 0.446 3.275 1.00 0.00 C ATOM 303 O PHE A 19 -13.376 0.405 3.639 1.00 0.00 O ATOM 304 CB PHE A 19 -13.046 1.748 1.272 1.00 0.00 C ATOM 305 CG PHE A 19 -14.114 0.725 0.960 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.045 -0.018 -0.223 1.00 0.00 C ATOM 307 CD2 PHE A 19 -15.180 0.532 1.845 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.039 -0.957 -0.518 1.00 0.00 C ATOM 309 CE2 PHE A 19 -16.176 -0.405 1.548 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.105 -1.151 0.367 1.00 0.00 C ATOM 311 H PHE A 19 -10.672 0.278 0.292 1.00 0.00 H ATOM 312 HA PHE A 19 -11.064 1.812 2.089 1.00 0.00 H ATOM 313 HB2 PHE A 19 -13.452 2.491 1.941 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.731 2.225 0.355 1.00 0.00 H ATOM 315 HD1 PHE A 19 -13.224 0.134 -0.905 1.00 0.00 H ATOM 316 HD2 PHE A 19 -15.235 1.106 2.758 1.00 0.00 H ATOM 317 HE1 PHE A 19 -14.985 -1.533 -1.431 1.00 0.00 H ATOM 318 HE2 PHE A 19 -16.999 -0.553 2.233 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.871 -1.873 0.138 1.00 0.00 H HETATM 320 N NH2 A 20 -11.281 -0.048 4.037 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -11.513 -0.449 4.901 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -10.346 -0.018 3.747 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 70 HETATM 1 C ACE A 1 12.166 -1.540 -0.066 1.00 0.00 C HETATM 2 O ACE A 1 11.215 -0.780 -0.016 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.123 -1.690 1.107 1.00 0.00 C HETATM 4 H1 ACE A 1 13.784 -0.841 1.141 1.00 0.00 H HETATM 5 H2 ACE A 1 13.697 -2.596 0.985 1.00 0.00 H HETATM 6 H3 ACE A 1 12.553 -1.746 2.024 1.00 0.00 H ATOM 7 N ASP A 2 12.374 -2.294 -1.106 1.00 0.00 N ATOM 8 CA ASP A 2 11.442 -2.222 -2.238 1.00 0.00 C ATOM 9 C ASP A 2 10.113 -2.686 -1.694 1.00 0.00 C ATOM 10 O ASP A 2 9.080 -2.153 -2.011 1.00 0.00 O ATOM 11 CB ASP A 2 11.983 -3.193 -3.290 1.00 0.00 C ATOM 12 CG ASP A 2 10.884 -3.521 -4.301 1.00 0.00 C ATOM 13 OD1 ASP A 2 10.256 -2.593 -4.785 1.00 0.00 O ATOM 14 OD2 ASP A 2 10.687 -4.693 -4.572 1.00 0.00 O ATOM 15 H ASP A 2 13.104 -2.928 -1.116 1.00 0.00 H ATOM 16 HA ASP A 2 11.380 -1.219 -2.627 1.00 0.00 H ATOM 17 HB2 ASP A 2 12.820 -2.738 -3.801 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.308 -4.102 -2.808 1.00 0.00 H ATOM 19 N TRP A 3 10.170 -3.657 -0.820 1.00 0.00 N ATOM 20 CA TRP A 3 8.945 -4.179 -0.171 1.00 0.00 C ATOM 21 C TRP A 3 8.331 -3.075 0.709 1.00 0.00 C ATOM 22 O TRP A 3 7.229 -3.200 1.197 1.00 0.00 O ATOM 23 CB TRP A 3 9.435 -5.351 0.705 1.00 0.00 C ATOM 24 CG TRP A 3 9.927 -4.777 1.988 1.00 0.00 C ATOM 25 CD1 TRP A 3 10.708 -3.688 2.058 1.00 0.00 C ATOM 26 CD2 TRP A 3 9.677 -5.195 3.359 1.00 0.00 C ATOM 27 NE1 TRP A 3 10.909 -3.361 3.368 1.00 0.00 N ATOM 28 CE2 TRP A 3 10.323 -4.276 4.222 1.00 0.00 C ATOM 29 CE3 TRP A 3 8.962 -6.258 3.935 1.00 0.00 C ATOM 30 CZ2 TRP A 3 10.258 -4.406 5.609 1.00 0.00 C ATOM 31 CZ3 TRP A 3 8.899 -6.396 5.332 1.00 0.00 C ATOM 32 CH2 TRP A 3 9.546 -5.473 6.167 1.00 0.00 C ATOM 33 H TRP A 3 11.038 -4.023 -0.566 1.00 0.00 H ATOM 34 HA TRP A 3 8.253 -4.526 -0.902 1.00 0.00 H ATOM 35 HB2 TRP A 3 8.617 -6.031 0.897 1.00 0.00 H ATOM 36 HB3 TRP A 3 10.238 -5.872 0.207 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.076 -3.132 1.215 1.00 0.00 H ATOM 38 HE1 TRP A 3 11.415 -2.587 3.667 1.00 0.00 H ATOM 39 HE3 TRP A 3 8.461 -6.973 3.300 1.00 0.00 H ATOM 40 HZ2 TRP A 3 10.757 -3.692 6.248 1.00 0.00 H ATOM 41 HZ3 TRP A 3 8.350 -7.219 5.765 1.00 0.00 H ATOM 42 HH2 TRP A 3 9.494 -5.586 7.240 1.00 0.00 H ATOM 43 N PHE A 4 9.075 -2.014 0.931 1.00 0.00 N ATOM 44 CA PHE A 4 8.601 -0.898 1.794 1.00 0.00 C ATOM 45 C PHE A 4 7.750 0.030 0.956 1.00 0.00 C ATOM 46 O PHE A 4 6.582 0.233 1.207 1.00 0.00 O ATOM 47 CB PHE A 4 9.876 -0.193 2.256 1.00 0.00 C ATOM 48 CG PHE A 4 9.585 0.651 3.474 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.277 0.038 4.694 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.636 2.047 3.386 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.018 0.821 5.825 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.376 2.831 4.516 1.00 0.00 C ATOM 53 CZ PHE A 4 9.067 2.218 5.736 1.00 0.00 C ATOM 54 H PHE A 4 9.962 -1.961 0.536 1.00 0.00 H ATOM 55 HA PHE A 4 8.057 -1.275 2.636 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.623 -0.932 2.501 1.00 0.00 H ATOM 57 HB3 PHE A 4 10.241 0.438 1.461 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.239 -1.039 4.763 1.00 0.00 H ATOM 59 HD2 PHE A 4 9.875 2.521 2.443 1.00 0.00 H ATOM 60 HE1 PHE A 4 8.780 0.349 6.767 1.00 0.00 H ATOM 61 HE2 PHE A 4 9.414 3.908 4.447 1.00 0.00 H ATOM 62 HZ PHE A 4 8.868 2.822 6.609 1.00 0.00 H ATOM 63 N LYS A 5 8.316 0.561 -0.075 1.00 0.00 N ATOM 64 CA LYS A 5 7.515 1.422 -0.958 1.00 0.00 C ATOM 65 C LYS A 5 6.584 0.509 -1.755 1.00 0.00 C ATOM 66 O LYS A 5 5.639 0.947 -2.385 1.00 0.00 O ATOM 67 CB LYS A 5 8.523 2.117 -1.867 1.00 0.00 C ATOM 68 CG LYS A 5 8.234 3.619 -1.897 1.00 0.00 C ATOM 69 CD LYS A 5 8.666 4.194 -3.246 1.00 0.00 C ATOM 70 CE LYS A 5 7.697 3.721 -4.334 1.00 0.00 C ATOM 71 NZ LYS A 5 7.177 4.970 -4.955 1.00 0.00 N ATOM 72 H LYS A 5 9.251 0.358 -0.286 1.00 0.00 H ATOM 73 HA LYS A 5 6.963 2.141 -0.389 1.00 0.00 H ATOM 74 HB2 LYS A 5 9.520 1.948 -1.489 1.00 0.00 H ATOM 75 HB3 LYS A 5 8.441 1.717 -2.865 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.176 3.784 -1.756 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.784 4.107 -1.107 1.00 0.00 H ATOM 78 HD2 LYS A 5 8.656 5.274 -3.197 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.663 3.852 -3.481 1.00 0.00 H ATOM 80 HE2 LYS A 5 8.221 3.122 -5.066 1.00 0.00 H ATOM 81 HE3 LYS A 5 6.887 3.160 -3.897 1.00 0.00 H ATOM 82 HZ1 LYS A 5 6.298 5.254 -4.479 1.00 0.00 H ATOM 83 HZ2 LYS A 5 6.988 4.802 -5.964 1.00 0.00 H ATOM 84 HZ3 LYS A 5 7.882 5.727 -4.854 1.00 0.00 H ATOM 85 N ALA A 6 6.851 -0.780 -1.715 1.00 0.00 N ATOM 86 CA ALA A 6 5.999 -1.748 -2.461 1.00 0.00 C ATOM 87 C ALA A 6 4.716 -2.047 -1.689 1.00 0.00 C ATOM 88 O ALA A 6 3.657 -2.197 -2.264 1.00 0.00 O ATOM 89 CB ALA A 6 6.847 -3.004 -2.583 1.00 0.00 C ATOM 90 H ALA A 6 7.615 -1.113 -1.184 1.00 0.00 H ATOM 91 HA ALA A 6 5.776 -1.372 -3.435 1.00 0.00 H ATOM 92 HB1 ALA A 6 6.222 -3.843 -2.842 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.333 -3.193 -1.640 1.00 0.00 H ATOM 94 HB3 ALA A 6 7.597 -2.858 -3.349 1.00 0.00 H ATOM 95 N PHE A 7 4.799 -2.143 -0.391 1.00 0.00 N ATOM 96 CA PHE A 7 3.580 -2.439 0.401 1.00 0.00 C ATOM 97 C PHE A 7 2.818 -1.148 0.689 1.00 0.00 C ATOM 98 O PHE A 7 1.609 -1.131 0.760 1.00 0.00 O ATOM 99 CB PHE A 7 4.079 -3.122 1.688 1.00 0.00 C ATOM 100 CG PHE A 7 4.353 -2.102 2.779 1.00 0.00 C ATOM 101 CD1 PHE A 7 5.579 -1.429 2.826 1.00 0.00 C ATOM 102 CD2 PHE A 7 3.380 -1.840 3.751 1.00 0.00 C ATOM 103 CE1 PHE A 7 5.831 -0.494 3.837 1.00 0.00 C ATOM 104 CE2 PHE A 7 3.633 -0.905 4.762 1.00 0.00 C ATOM 105 CZ PHE A 7 4.858 -0.232 4.805 1.00 0.00 C ATOM 106 H PHE A 7 5.655 -2.027 0.055 1.00 0.00 H ATOM 107 HA PHE A 7 2.954 -3.112 -0.150 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.328 -3.816 2.034 1.00 0.00 H ATOM 109 HB3 PHE A 7 4.989 -3.663 1.471 1.00 0.00 H ATOM 110 HD1 PHE A 7 6.329 -1.628 2.080 1.00 0.00 H ATOM 111 HD2 PHE A 7 2.436 -2.359 3.720 1.00 0.00 H ATOM 112 HE1 PHE A 7 6.780 0.021 3.869 1.00 0.00 H ATOM 113 HE2 PHE A 7 2.882 -0.703 5.510 1.00 0.00 H ATOM 114 HZ PHE A 7 5.052 0.490 5.585 1.00 0.00 H ATOM 115 N TYR A 8 3.515 -0.064 0.836 1.00 0.00 N ATOM 116 CA TYR A 8 2.828 1.222 1.098 1.00 0.00 C ATOM 117 C TYR A 8 2.012 1.623 -0.130 1.00 0.00 C ATOM 118 O TYR A 8 0.953 2.210 -0.022 1.00 0.00 O ATOM 119 CB TYR A 8 3.960 2.218 1.359 1.00 0.00 C ATOM 120 CG TYR A 8 3.408 3.618 1.496 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.054 3.821 1.795 1.00 0.00 C ATOM 122 CD2 TYR A 8 4.258 4.717 1.323 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.554 5.124 1.921 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.758 6.017 1.450 1.00 0.00 C ATOM 125 CZ TYR A 8 2.407 6.221 1.748 1.00 0.00 C ATOM 126 OH TYR A 8 1.917 7.504 1.876 1.00 0.00 O ATOM 127 H TYR A 8 4.488 -0.093 0.763 1.00 0.00 H ATOM 128 HA TYR A 8 2.195 1.138 1.963 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.472 1.945 2.270 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.657 2.188 0.534 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.397 2.975 1.929 1.00 0.00 H ATOM 132 HD2 TYR A 8 5.301 4.560 1.093 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.510 5.282 2.153 1.00 0.00 H ATOM 134 HE2 TYR A 8 4.416 6.863 1.317 1.00 0.00 H ATOM 135 HH TYR A 8 2.506 7.992 2.457 1.00 0.00 H ATOM 136 N ASP A 9 2.491 1.299 -1.301 1.00 0.00 N ATOM 137 CA ASP A 9 1.737 1.657 -2.530 1.00 0.00 C ATOM 138 C ASP A 9 0.606 0.654 -2.764 1.00 0.00 C ATOM 139 O ASP A 9 -0.546 1.016 -2.901 1.00 0.00 O ATOM 140 CB ASP A 9 2.759 1.583 -3.660 1.00 0.00 C ATOM 141 CG ASP A 9 3.529 2.902 -3.744 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.208 3.232 -2.785 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.425 3.562 -4.764 1.00 0.00 O ATOM 144 H ASP A 9 3.342 0.815 -1.372 1.00 0.00 H ATOM 145 HA ASP A 9 1.351 2.652 -2.453 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.447 0.775 -3.466 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.248 1.408 -4.594 1.00 0.00 H ATOM 148 N LYS A 10 0.932 -0.608 -2.810 1.00 0.00 N ATOM 149 CA LYS A 10 -0.113 -1.640 -3.035 1.00 0.00 C ATOM 150 C LYS A 10 -1.148 -1.619 -1.905 1.00 0.00 C ATOM 151 O LYS A 10 -2.337 -1.673 -2.147 1.00 0.00 O ATOM 152 CB LYS A 10 0.641 -2.964 -3.064 1.00 0.00 C ATOM 153 CG LYS A 10 0.654 -3.506 -4.495 1.00 0.00 C ATOM 154 CD LYS A 10 1.978 -3.138 -5.172 1.00 0.00 C ATOM 155 CE LYS A 10 1.911 -1.696 -5.687 1.00 0.00 C ATOM 156 NZ LYS A 10 0.987 -1.745 -6.855 1.00 0.00 N ATOM 157 H LYS A 10 1.865 -0.875 -2.698 1.00 0.00 H ATOM 158 HA LYS A 10 -0.593 -1.481 -3.982 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.655 -2.805 -2.729 1.00 0.00 H ATOM 160 HB3 LYS A 10 0.149 -3.671 -2.415 1.00 0.00 H ATOM 161 HG2 LYS A 10 0.545 -4.582 -4.474 1.00 0.00 H ATOM 162 HG3 LYS A 10 -0.164 -3.073 -5.050 1.00 0.00 H ATOM 163 HD2 LYS A 10 2.784 -3.227 -4.458 1.00 0.00 H ATOM 164 HD3 LYS A 10 2.156 -3.805 -6.002 1.00 0.00 H ATOM 165 HE2 LYS A 10 1.519 -1.043 -4.920 1.00 0.00 H ATOM 166 HE3 LYS A 10 2.888 -1.364 -6.003 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.210 -2.575 -7.440 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.101 -0.880 -7.423 1.00 0.00 H ATOM 169 HZ3 LYS A 10 0.006 -1.814 -6.520 1.00 0.00 H ATOM 170 N VAL A 11 -0.726 -1.531 -0.673 1.00 0.00 N ATOM 171 CA VAL A 11 -1.726 -1.497 0.425 1.00 0.00 C ATOM 172 C VAL A 11 -2.649 -0.299 0.208 1.00 0.00 C ATOM 173 O VAL A 11 -3.857 -0.407 0.292 1.00 0.00 O ATOM 174 CB VAL A 11 -0.917 -1.358 1.717 1.00 0.00 C ATOM 175 CG1 VAL A 11 -0.487 0.096 1.921 1.00 0.00 C ATOM 176 CG2 VAL A 11 -1.774 -1.808 2.904 1.00 0.00 C ATOM 177 H VAL A 11 0.233 -1.477 -0.473 1.00 0.00 H ATOM 178 HA VAL A 11 -2.294 -2.413 0.439 1.00 0.00 H ATOM 179 HB VAL A 11 -0.042 -1.982 1.653 1.00 0.00 H ATOM 180 HG11 VAL A 11 0.042 0.186 2.857 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.359 0.730 1.941 1.00 0.00 H ATOM 182 HG13 VAL A 11 0.159 0.397 1.110 1.00 0.00 H ATOM 183 HG21 VAL A 11 -2.819 -1.690 2.659 1.00 0.00 H ATOM 184 HG22 VAL A 11 -1.536 -1.204 3.767 1.00 0.00 H ATOM 185 HG23 VAL A 11 -1.569 -2.845 3.122 1.00 0.00 H ATOM 186 N ALA A 12 -2.088 0.842 -0.096 1.00 0.00 N ATOM 187 CA ALA A 12 -2.937 2.036 -0.346 1.00 0.00 C ATOM 188 C ALA A 12 -3.982 1.687 -1.391 1.00 0.00 C ATOM 189 O ALA A 12 -5.071 2.220 -1.393 1.00 0.00 O ATOM 190 CB ALA A 12 -1.989 3.114 -0.852 1.00 0.00 C ATOM 191 H ALA A 12 -1.111 0.903 -0.175 1.00 0.00 H ATOM 192 HA ALA A 12 -3.413 2.359 0.558 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.530 3.610 -0.009 1.00 0.00 H ATOM 194 HB2 ALA A 12 -2.543 3.834 -1.436 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.226 2.661 -1.465 1.00 0.00 H ATOM 196 N GLU A 13 -3.672 0.773 -2.268 1.00 0.00 N ATOM 197 CA GLU A 13 -4.671 0.370 -3.283 1.00 0.00 C ATOM 198 C GLU A 13 -5.782 -0.401 -2.580 1.00 0.00 C ATOM 199 O GLU A 13 -6.932 -0.361 -2.969 1.00 0.00 O ATOM 200 CB GLU A 13 -3.925 -0.530 -4.270 1.00 0.00 C ATOM 201 CG GLU A 13 -2.707 0.213 -4.820 1.00 0.00 C ATOM 202 CD GLU A 13 -2.471 -0.206 -6.271 1.00 0.00 C ATOM 203 OE1 GLU A 13 -2.078 -1.342 -6.485 1.00 0.00 O ATOM 204 OE2 GLU A 13 -2.688 0.615 -7.147 1.00 0.00 O ATOM 205 H GLU A 13 -2.794 0.341 -2.241 1.00 0.00 H ATOM 206 HA GLU A 13 -5.065 1.233 -3.782 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.604 -1.428 -3.765 1.00 0.00 H ATOM 208 HB3 GLU A 13 -4.583 -0.791 -5.083 1.00 0.00 H ATOM 209 HG2 GLU A 13 -2.885 1.278 -4.775 1.00 0.00 H ATOM 210 HG3 GLU A 13 -1.837 -0.033 -4.229 1.00 0.00 H ATOM 211 N LYS A 14 -5.439 -1.089 -1.525 1.00 0.00 N ATOM 212 CA LYS A 14 -6.454 -1.848 -0.767 1.00 0.00 C ATOM 213 C LYS A 14 -7.248 -0.883 0.099 1.00 0.00 C ATOM 214 O LYS A 14 -8.386 -1.119 0.427 1.00 0.00 O ATOM 215 CB LYS A 14 -5.664 -2.827 0.096 1.00 0.00 C ATOM 216 CG LYS A 14 -6.316 -4.211 0.035 1.00 0.00 C ATOM 217 CD LYS A 14 -5.372 -5.186 -0.671 1.00 0.00 C ATOM 218 CE LYS A 14 -6.144 -6.441 -1.087 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.732 -6.967 0.176 1.00 0.00 N ATOM 220 H LYS A 14 -4.512 -1.093 -1.225 1.00 0.00 H ATOM 221 HA LYS A 14 -7.099 -2.378 -1.435 1.00 0.00 H ATOM 222 HB2 LYS A 14 -4.651 -2.890 -0.273 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.657 -2.480 1.117 1.00 0.00 H ATOM 224 HG2 LYS A 14 -6.512 -4.560 1.039 1.00 0.00 H ATOM 225 HG3 LYS A 14 -7.243 -4.149 -0.513 1.00 0.00 H ATOM 226 HD2 LYS A 14 -4.956 -4.712 -1.548 1.00 0.00 H ATOM 227 HD3 LYS A 14 -4.573 -5.462 0.001 1.00 0.00 H ATOM 228 HE2 LYS A 14 -6.923 -6.186 -1.791 1.00 0.00 H ATOM 229 HE3 LYS A 14 -5.472 -7.170 -1.512 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -7.107 -7.923 0.013 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -7.502 -6.339 0.488 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -5.998 -7.006 0.911 1.00 0.00 H ATOM 233 N PHE A 15 -6.664 0.223 0.459 1.00 0.00 N ATOM 234 CA PHE A 15 -7.414 1.196 1.282 1.00 0.00 C ATOM 235 C PHE A 15 -8.320 2.008 0.369 1.00 0.00 C ATOM 236 O PHE A 15 -9.353 2.498 0.768 1.00 0.00 O ATOM 237 CB PHE A 15 -6.367 2.087 1.951 1.00 0.00 C ATOM 238 CG PHE A 15 -7.056 3.283 2.567 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.600 3.191 3.855 1.00 0.00 C ATOM 240 CD2 PHE A 15 -7.157 4.479 1.849 1.00 0.00 C ATOM 241 CE1 PHE A 15 -8.244 4.299 4.424 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.803 5.586 2.416 1.00 0.00 C ATOM 243 CZ PHE A 15 -8.345 5.495 3.703 1.00 0.00 C ATOM 244 H PHE A 15 -5.750 0.417 0.174 1.00 0.00 H ATOM 245 HA PHE A 15 -7.994 0.680 2.020 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.856 1.527 2.721 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.653 2.425 1.215 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.523 2.268 4.412 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.739 4.550 0.856 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.663 4.230 5.417 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.880 6.508 1.861 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.843 6.347 4.141 1.00 0.00 H ATOM 253 N LYS A 16 -7.943 2.130 -0.868 1.00 0.00 N ATOM 254 CA LYS A 16 -8.787 2.887 -1.821 1.00 0.00 C ATOM 255 C LYS A 16 -9.898 1.976 -2.331 1.00 0.00 C ATOM 256 O LYS A 16 -10.966 2.420 -2.704 1.00 0.00 O ATOM 257 CB LYS A 16 -7.846 3.299 -2.955 1.00 0.00 C ATOM 258 CG LYS A 16 -8.651 3.966 -4.073 1.00 0.00 C ATOM 259 CD LYS A 16 -8.540 5.487 -3.945 1.00 0.00 C ATOM 260 CE LYS A 16 -9.282 6.153 -5.107 1.00 0.00 C ATOM 261 NZ LYS A 16 -10.650 5.562 -5.081 1.00 0.00 N ATOM 262 H LYS A 16 -7.115 1.709 -1.171 1.00 0.00 H ATOM 263 HA LYS A 16 -9.198 3.750 -1.340 1.00 0.00 H ATOM 264 HB2 LYS A 16 -7.111 3.996 -2.577 1.00 0.00 H ATOM 265 HB3 LYS A 16 -7.347 2.426 -3.347 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.261 3.656 -5.032 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.687 3.676 -3.994 1.00 0.00 H ATOM 268 HD2 LYS A 16 -8.976 5.802 -3.008 1.00 0.00 H ATOM 269 HD3 LYS A 16 -7.500 5.776 -3.973 1.00 0.00 H ATOM 270 HE2 LYS A 16 -9.329 7.223 -4.958 1.00 0.00 H ATOM 271 HE3 LYS A 16 -8.798 5.924 -6.044 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -11.310 6.196 -5.571 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -10.955 5.439 -4.093 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -10.639 4.639 -5.558 1.00 0.00 H ATOM 275 N GLU A 17 -9.654 0.696 -2.325 1.00 0.00 N ATOM 276 CA GLU A 17 -10.688 -0.262 -2.780 1.00 0.00 C ATOM 277 C GLU A 17 -11.358 -0.891 -1.562 1.00 0.00 C ATOM 278 O GLU A 17 -12.555 -0.813 -1.383 1.00 0.00 O ATOM 279 CB GLU A 17 -9.937 -1.309 -3.599 1.00 0.00 C ATOM 280 CG GLU A 17 -10.051 -0.976 -5.087 1.00 0.00 C ATOM 281 CD GLU A 17 -10.752 -2.125 -5.812 1.00 0.00 C ATOM 282 OE1 GLU A 17 -11.887 -2.412 -5.468 1.00 0.00 O ATOM 283 OE2 GLU A 17 -10.143 -2.700 -6.699 1.00 0.00 O ATOM 284 H GLU A 17 -8.797 0.366 -1.999 1.00 0.00 H ATOM 285 HA GLU A 17 -11.407 0.237 -3.388 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.898 -1.312 -3.309 1.00 0.00 H ATOM 287 HB3 GLU A 17 -10.367 -2.281 -3.417 1.00 0.00 H ATOM 288 HG2 GLU A 17 -10.624 -0.067 -5.209 1.00 0.00 H ATOM 289 HG3 GLU A 17 -9.064 -0.839 -5.504 1.00 0.00 H ATOM 290 N ALA A 18 -10.580 -1.503 -0.718 1.00 0.00 N ATOM 291 CA ALA A 18 -11.141 -2.132 0.503 1.00 0.00 C ATOM 292 C ALA A 18 -11.590 -1.052 1.490 1.00 0.00 C ATOM 293 O ALA A 18 -12.370 -1.309 2.386 1.00 0.00 O ATOM 294 CB ALA A 18 -9.984 -2.945 1.081 1.00 0.00 C ATOM 295 H ALA A 18 -9.620 -1.544 -0.885 1.00 0.00 H ATOM 296 HA ALA A 18 -11.958 -2.782 0.249 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.512 -2.383 1.874 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.261 -3.140 0.302 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.356 -3.877 1.471 1.00 0.00 H ATOM 300 N PHE A 19 -11.101 0.155 1.327 1.00 0.00 N ATOM 301 CA PHE A 19 -11.489 1.271 2.250 1.00 0.00 C ATOM 302 C PHE A 19 -11.632 0.778 3.697 1.00 0.00 C ATOM 303 O PHE A 19 -11.196 -0.303 4.038 1.00 0.00 O ATOM 304 CB PHE A 19 -12.823 1.799 1.710 1.00 0.00 C ATOM 305 CG PHE A 19 -13.960 0.896 2.132 1.00 0.00 C ATOM 306 CD1 PHE A 19 -14.621 1.122 3.347 1.00 0.00 C ATOM 307 CD2 PHE A 19 -14.358 -0.161 1.304 1.00 0.00 C ATOM 308 CE1 PHE A 19 -15.676 0.288 3.733 1.00 0.00 C ATOM 309 CE2 PHE A 19 -15.413 -0.994 1.691 1.00 0.00 C ATOM 310 CZ PHE A 19 -16.072 -0.769 2.906 1.00 0.00 C ATOM 311 H PHE A 19 -10.474 0.331 0.587 1.00 0.00 H ATOM 312 HA PHE A 19 -10.752 2.054 2.209 1.00 0.00 H ATOM 313 HB2 PHE A 19 -12.995 2.793 2.094 1.00 0.00 H ATOM 314 HB3 PHE A 19 -12.780 1.837 0.631 1.00 0.00 H ATOM 315 HD1 PHE A 19 -14.317 1.937 3.985 1.00 0.00 H ATOM 316 HD2 PHE A 19 -13.848 -0.335 0.367 1.00 0.00 H ATOM 317 HE1 PHE A 19 -16.185 0.460 4.671 1.00 0.00 H ATOM 318 HE2 PHE A 19 -15.720 -1.809 1.053 1.00 0.00 H ATOM 319 HZ PHE A 19 -16.887 -1.411 3.204 1.00 0.00 H HETATM 320 N NH2 A 20 -12.213 1.548 4.578 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.297 1.252 5.508 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -12.566 2.421 4.308 1.00 0.00 H TER 323 NH2 A 20 ENDMDL MODEL 71 HETATM 1 C ACE A 1 12.307 -0.585 -0.392 1.00 0.00 C HETATM 2 O ACE A 1 11.287 -0.016 -0.052 1.00 0.00 O HETATM 3 CH3 ACE A 1 13.431 -0.850 0.596 1.00 0.00 C HETATM 4 H1 ACE A 1 14.206 -1.421 0.106 1.00 0.00 H HETATM 5 H2 ACE A 1 13.042 -1.413 1.432 1.00 0.00 H HETATM 6 H3 ACE A 1 13.832 0.086 0.945 1.00 0.00 H ATOM 7 N ASP A 2 12.459 -1.038 -1.599 1.00 0.00 N ATOM 8 CA ASP A 2 11.376 -0.860 -2.579 1.00 0.00 C ATOM 9 C ASP A 2 10.284 -1.796 -2.127 1.00 0.00 C ATOM 10 O ASP A 2 9.113 -1.510 -2.221 1.00 0.00 O ATOM 11 CB ASP A 2 11.956 -1.283 -3.929 1.00 0.00 C ATOM 12 CG ASP A 2 12.550 -2.687 -3.814 1.00 0.00 C ATOM 13 OD1 ASP A 2 13.518 -2.840 -3.088 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.026 -3.584 -4.452 1.00 0.00 O ATOM 15 H ASP A 2 13.254 -1.533 -1.838 1.00 0.00 H ATOM 16 HA ASP A 2 11.039 0.162 -2.600 1.00 0.00 H ATOM 17 HB2 ASP A 2 11.172 -1.282 -4.673 1.00 0.00 H ATOM 18 HB3 ASP A 2 12.730 -0.590 -4.222 1.00 0.00 H ATOM 19 N TRP A 3 10.698 -2.905 -1.572 1.00 0.00 N ATOM 20 CA TRP A 3 9.736 -3.884 -1.034 1.00 0.00 C ATOM 21 C TRP A 3 8.976 -3.217 0.128 1.00 0.00 C ATOM 22 O TRP A 3 7.954 -3.695 0.572 1.00 0.00 O ATOM 23 CB TRP A 3 10.604 -5.059 -0.531 1.00 0.00 C ATOM 24 CG TRP A 3 11.061 -4.733 0.849 1.00 0.00 C ATOM 25 CD1 TRP A 3 11.565 -3.540 1.197 1.00 0.00 C ATOM 26 CD2 TRP A 3 11.052 -5.547 2.057 1.00 0.00 C ATOM 27 NE1 TRP A 3 11.793 -3.523 2.543 1.00 0.00 N ATOM 28 CE2 TRP A 3 11.529 -4.748 3.125 1.00 0.00 C ATOM 29 CE3 TRP A 3 10.675 -6.873 2.336 1.00 0.00 C ATOM 30 CZ2 TRP A 3 11.624 -5.247 4.425 1.00 0.00 C ATOM 31 CZ3 TRP A 3 10.777 -7.381 3.644 1.00 0.00 C ATOM 32 CH2 TRP A 3 11.251 -6.569 4.685 1.00 0.00 C ATOM 33 H TRP A 3 11.656 -3.071 -1.479 1.00 0.00 H ATOM 34 HA TRP A 3 9.070 -4.210 -1.798 1.00 0.00 H ATOM 35 HB2 TRP A 3 10.018 -5.967 -0.517 1.00 0.00 H ATOM 36 HB3 TRP A 3 11.459 -5.185 -1.177 1.00 0.00 H ATOM 37 HD1 TRP A 3 11.711 -2.708 0.530 1.00 0.00 H ATOM 38 HE1 TRP A 3 12.116 -2.751 3.033 1.00 0.00 H ATOM 39 HE3 TRP A 3 10.309 -7.506 1.541 1.00 0.00 H ATOM 40 HZ2 TRP A 3 11.989 -4.618 5.224 1.00 0.00 H ATOM 41 HZ3 TRP A 3 10.489 -8.402 3.847 1.00 0.00 H ATOM 42 HH2 TRP A 3 11.328 -6.965 5.687 1.00 0.00 H ATOM 43 N PHE A 4 9.502 -2.110 0.619 1.00 0.00 N ATOM 44 CA PHE A 4 8.867 -1.380 1.747 1.00 0.00 C ATOM 45 C PHE A 4 7.809 -0.462 1.175 1.00 0.00 C ATOM 46 O PHE A 4 6.640 -0.575 1.468 1.00 0.00 O ATOM 47 CB PHE A 4 9.995 -0.579 2.391 1.00 0.00 C ATOM 48 CG PHE A 4 9.922 -0.728 3.890 1.00 0.00 C ATOM 49 CD1 PHE A 4 9.705 -1.988 4.457 1.00 0.00 C ATOM 50 CD2 PHE A 4 10.066 0.395 4.712 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.632 -2.127 5.849 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.992 0.258 6.104 1.00 0.00 C ATOM 53 CZ PHE A 4 9.775 -1.004 6.672 1.00 0.00 C ATOM 54 H PHE A 4 10.322 -1.758 0.236 1.00 0.00 H ATOM 55 HA PHE A 4 8.449 -2.066 2.453 1.00 0.00 H ATOM 56 HB2 PHE A 4 10.944 -0.951 2.039 1.00 0.00 H ATOM 57 HB3 PHE A 4 9.890 0.461 2.128 1.00 0.00 H ATOM 58 HD1 PHE A 4 9.595 -2.855 3.822 1.00 0.00 H ATOM 59 HD2 PHE A 4 10.234 1.368 4.275 1.00 0.00 H ATOM 60 HE1 PHE A 4 9.463 -3.101 6.287 1.00 0.00 H ATOM 61 HE2 PHE A 4 10.103 1.124 6.739 1.00 0.00 H ATOM 62 HZ PHE A 4 9.717 -1.110 7.745 1.00 0.00 H ATOM 63 N LYS A 5 8.205 0.411 0.299 1.00 0.00 N ATOM 64 CA LYS A 5 7.208 1.276 -0.352 1.00 0.00 C ATOM 65 C LYS A 5 6.362 0.382 -1.260 1.00 0.00 C ATOM 66 O LYS A 5 5.354 0.791 -1.800 1.00 0.00 O ATOM 67 CB LYS A 5 8.013 2.277 -1.173 1.00 0.00 C ATOM 68 CG LYS A 5 8.455 3.437 -0.281 1.00 0.00 C ATOM 69 CD LYS A 5 9.610 4.179 -0.953 1.00 0.00 C ATOM 70 CE LYS A 5 9.829 5.522 -0.253 1.00 0.00 C ATOM 71 NZ LYS A 5 9.938 5.185 1.195 1.00 0.00 N ATOM 72 H LYS A 5 9.145 0.456 0.036 1.00 0.00 H ATOM 73 HA LYS A 5 6.603 1.781 0.377 1.00 0.00 H ATOM 74 HB2 LYS A 5 8.883 1.785 -1.583 1.00 0.00 H ATOM 75 HB3 LYS A 5 7.399 2.655 -1.975 1.00 0.00 H ATOM 76 HG2 LYS A 5 7.626 4.114 -0.136 1.00 0.00 H ATOM 77 HG3 LYS A 5 8.781 3.055 0.674 1.00 0.00 H ATOM 78 HD2 LYS A 5 10.510 3.584 -0.883 1.00 0.00 H ATOM 79 HD3 LYS A 5 9.372 4.352 -1.993 1.00 0.00 H ATOM 80 HE2 LYS A 5 10.741 5.984 -0.605 1.00 0.00 H ATOM 81 HE3 LYS A 5 8.986 6.174 -0.418 1.00 0.00 H ATOM 82 HZ1 LYS A 5 8.992 4.989 1.577 1.00 0.00 H ATOM 83 HZ2 LYS A 5 10.360 5.988 1.705 1.00 0.00 H ATOM 84 HZ3 LYS A 5 10.538 4.345 1.311 1.00 0.00 H ATOM 85 N ALA A 6 6.787 -0.854 -1.430 1.00 0.00 N ATOM 86 CA ALA A 6 6.040 -1.800 -2.297 1.00 0.00 C ATOM 87 C ALA A 6 4.849 -2.399 -1.547 1.00 0.00 C ATOM 88 O ALA A 6 3.786 -2.572 -2.105 1.00 0.00 O ATOM 89 CB ALA A 6 7.057 -2.876 -2.649 1.00 0.00 C ATOM 90 H ALA A 6 7.608 -1.160 -0.987 1.00 0.00 H ATOM 91 HA ALA A 6 5.713 -1.309 -3.188 1.00 0.00 H ATOM 92 HB1 ALA A 6 7.648 -3.099 -1.778 1.00 0.00 H ATOM 93 HB2 ALA A 6 7.703 -2.513 -3.437 1.00 0.00 H ATOM 94 HB3 ALA A 6 6.547 -3.765 -2.979 1.00 0.00 H ATOM 95 N PHE A 7 5.007 -2.713 -0.289 1.00 0.00 N ATOM 96 CA PHE A 7 3.864 -3.286 0.472 1.00 0.00 C ATOM 97 C PHE A 7 2.979 -2.145 0.981 1.00 0.00 C ATOM 98 O PHE A 7 1.766 -2.248 1.018 1.00 0.00 O ATOM 99 CB PHE A 7 4.487 -4.095 1.622 1.00 0.00 C ATOM 100 CG PHE A 7 4.866 -3.189 2.771 1.00 0.00 C ATOM 101 CD1 PHE A 7 3.929 -2.892 3.764 1.00 0.00 C ATOM 102 CD2 PHE A 7 6.155 -2.652 2.848 1.00 0.00 C ATOM 103 CE1 PHE A 7 4.278 -2.060 4.833 1.00 0.00 C ATOM 104 CE2 PHE A 7 6.506 -1.818 3.915 1.00 0.00 C ATOM 105 CZ PHE A 7 5.567 -1.521 4.907 1.00 0.00 C ATOM 106 H PHE A 7 5.864 -2.569 0.151 1.00 0.00 H ATOM 107 HA PHE A 7 3.297 -3.934 -0.167 1.00 0.00 H ATOM 108 HB2 PHE A 7 3.773 -4.827 1.969 1.00 0.00 H ATOM 109 HB3 PHE A 7 5.370 -4.602 1.262 1.00 0.00 H ATOM 110 HD1 PHE A 7 2.939 -3.307 3.707 1.00 0.00 H ATOM 111 HD2 PHE A 7 6.880 -2.882 2.085 1.00 0.00 H ATOM 112 HE1 PHE A 7 3.553 -1.832 5.600 1.00 0.00 H ATOM 113 HE2 PHE A 7 7.500 -1.403 3.970 1.00 0.00 H ATOM 114 HZ PHE A 7 5.839 -0.878 5.732 1.00 0.00 H ATOM 115 N TYR A 8 3.581 -1.042 1.335 1.00 0.00 N ATOM 116 CA TYR A 8 2.793 0.126 1.804 1.00 0.00 C ATOM 117 C TYR A 8 1.984 0.680 0.627 1.00 0.00 C ATOM 118 O TYR A 8 0.908 1.222 0.793 1.00 0.00 O ATOM 119 CB TYR A 8 3.842 1.138 2.281 1.00 0.00 C ATOM 120 CG TYR A 8 3.251 2.528 2.290 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.193 2.835 3.153 1.00 0.00 C ATOM 122 CD2 TYR A 8 3.764 3.510 1.434 1.00 0.00 C ATOM 123 CE1 TYR A 8 1.647 4.124 3.159 1.00 0.00 C ATOM 124 CE2 TYR A 8 3.218 4.799 1.441 1.00 0.00 C ATOM 125 CZ TYR A 8 2.160 5.106 2.303 1.00 0.00 C ATOM 126 OH TYR A 8 1.622 6.376 2.309 1.00 0.00 O ATOM 127 H TYR A 8 4.550 -0.977 1.271 1.00 0.00 H ATOM 128 HA TYR A 8 2.146 -0.156 2.617 1.00 0.00 H ATOM 129 HB2 TYR A 8 4.161 0.878 3.280 1.00 0.00 H ATOM 130 HB3 TYR A 8 4.691 1.114 1.616 1.00 0.00 H ATOM 131 HD1 TYR A 8 1.797 2.078 3.815 1.00 0.00 H ATOM 132 HD2 TYR A 8 4.581 3.273 0.768 1.00 0.00 H ATOM 133 HE1 TYR A 8 0.829 4.361 3.824 1.00 0.00 H ATOM 134 HE2 TYR A 8 3.614 5.556 0.779 1.00 0.00 H ATOM 135 HH TYR A 8 2.347 7.005 2.321 1.00 0.00 H ATOM 136 N ASP A 9 2.490 0.530 -0.567 1.00 0.00 N ATOM 137 CA ASP A 9 1.748 1.026 -1.753 1.00 0.00 C ATOM 138 C ASP A 9 0.620 0.049 -2.076 1.00 0.00 C ATOM 139 O ASP A 9 -0.515 0.434 -2.272 1.00 0.00 O ATOM 140 CB ASP A 9 2.770 1.068 -2.885 1.00 0.00 C ATOM 141 CG ASP A 9 3.418 2.453 -2.940 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.155 2.780 -2.023 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.169 3.165 -3.900 1.00 0.00 O ATOM 144 H ASP A 9 3.349 0.081 -0.684 1.00 0.00 H ATOM 145 HA ASP A 9 1.362 2.008 -1.569 1.00 0.00 H ATOM 146 HB2 ASP A 9 3.528 0.321 -2.710 1.00 0.00 H ATOM 147 HB3 ASP A 9 2.274 0.870 -3.822 1.00 0.00 H ATOM 148 N LYS A 10 0.926 -1.220 -2.111 1.00 0.00 N ATOM 149 CA LYS A 10 -0.131 -2.227 -2.396 1.00 0.00 C ATOM 150 C LYS A 10 -1.325 -1.968 -1.482 1.00 0.00 C ATOM 151 O LYS A 10 -2.425 -1.726 -1.934 1.00 0.00 O ATOM 152 CB LYS A 10 0.502 -3.580 -2.080 1.00 0.00 C ATOM 153 CG LYS A 10 1.454 -3.974 -3.211 1.00 0.00 C ATOM 154 CD LYS A 10 0.644 -4.331 -4.459 1.00 0.00 C ATOM 155 CE LYS A 10 1.512 -4.139 -5.705 1.00 0.00 C ATOM 156 NZ LYS A 10 0.880 -3.009 -6.442 1.00 0.00 N ATOM 157 H LYS A 10 1.844 -1.509 -1.936 1.00 0.00 H ATOM 158 HA LYS A 10 -0.427 -2.189 -3.430 1.00 0.00 H ATOM 159 HB2 LYS A 10 1.049 -3.511 -1.154 1.00 0.00 H ATOM 160 HB3 LYS A 10 -0.272 -4.325 -1.990 1.00 0.00 H ATOM 161 HG2 LYS A 10 2.112 -3.145 -3.431 1.00 0.00 H ATOM 162 HG3 LYS A 10 2.041 -4.828 -2.907 1.00 0.00 H ATOM 163 HD2 LYS A 10 0.325 -5.362 -4.397 1.00 0.00 H ATOM 164 HD3 LYS A 10 -0.220 -3.689 -4.525 1.00 0.00 H ATOM 165 HE2 LYS A 10 2.525 -3.887 -5.421 1.00 0.00 H ATOM 166 HE3 LYS A 10 1.501 -5.030 -6.313 1.00 0.00 H ATOM 167 HZ1 LYS A 10 1.298 -2.938 -7.391 1.00 0.00 H ATOM 168 HZ2 LYS A 10 1.042 -2.123 -5.922 1.00 0.00 H ATOM 169 HZ3 LYS A 10 -0.142 -3.180 -6.527 1.00 0.00 H ATOM 170 N VAL A 11 -1.118 -1.999 -0.196 1.00 0.00 N ATOM 171 CA VAL A 11 -2.257 -1.731 0.720 1.00 0.00 C ATOM 172 C VAL A 11 -2.981 -0.469 0.251 1.00 0.00 C ATOM 173 O VAL A 11 -4.194 -0.425 0.193 1.00 0.00 O ATOM 174 CB VAL A 11 -1.639 -1.529 2.103 1.00 0.00 C ATOM 175 CG1 VAL A 11 -1.051 -2.852 2.592 1.00 0.00 C ATOM 176 CG2 VAL A 11 -0.530 -0.478 2.022 1.00 0.00 C ATOM 177 H VAL A 11 -0.221 -2.185 0.161 1.00 0.00 H ATOM 178 HA VAL A 11 -2.933 -2.571 0.734 1.00 0.00 H ATOM 179 HB VAL A 11 -2.402 -1.196 2.791 1.00 0.00 H ATOM 180 HG11 VAL A 11 -1.585 -3.674 2.137 1.00 0.00 H ATOM 181 HG12 VAL A 11 -1.145 -2.913 3.666 1.00 0.00 H ATOM 182 HG13 VAL A 11 -0.007 -2.906 2.319 1.00 0.00 H ATOM 183 HG21 VAL A 11 0.051 -0.499 2.932 1.00 0.00 H ATOM 184 HG22 VAL A 11 -0.971 0.501 1.900 1.00 0.00 H ATOM 185 HG23 VAL A 11 0.110 -0.691 1.180 1.00 0.00 H ATOM 186 N ALA A 12 -2.247 0.549 -0.111 1.00 0.00 N ATOM 187 CA ALA A 12 -2.905 1.789 -0.604 1.00 0.00 C ATOM 188 C ALA A 12 -3.920 1.425 -1.677 1.00 0.00 C ATOM 189 O ALA A 12 -4.977 2.012 -1.767 1.00 0.00 O ATOM 190 CB ALA A 12 -1.783 2.641 -1.180 1.00 0.00 C ATOM 191 H ALA A 12 -1.268 0.491 -0.075 1.00 0.00 H ATOM 192 HA ALA A 12 -3.387 2.311 0.200 1.00 0.00 H ATOM 193 HB1 ALA A 12 -1.762 2.526 -2.251 1.00 0.00 H ATOM 194 HB2 ALA A 12 -0.842 2.323 -0.759 1.00 0.00 H ATOM 195 HB3 ALA A 12 -1.960 3.677 -0.930 1.00 0.00 H ATOM 196 N GLU A 13 -3.626 0.439 -2.480 1.00 0.00 N ATOM 197 CA GLU A 13 -4.606 0.032 -3.514 1.00 0.00 C ATOM 198 C GLU A 13 -5.825 -0.546 -2.800 1.00 0.00 C ATOM 199 O GLU A 13 -6.948 -0.442 -3.259 1.00 0.00 O ATOM 200 CB GLU A 13 -3.899 -1.034 -4.360 1.00 0.00 C ATOM 201 CG GLU A 13 -4.910 -1.705 -5.293 1.00 0.00 C ATOM 202 CD GLU A 13 -5.488 -2.944 -4.608 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.727 -3.861 -4.345 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.681 -2.956 -4.357 1.00 0.00 O ATOM 205 H GLU A 13 -2.780 -0.041 -2.387 1.00 0.00 H ATOM 206 HA GLU A 13 -4.882 0.875 -4.121 1.00 0.00 H ATOM 207 HB2 GLU A 13 -3.121 -0.569 -4.947 1.00 0.00 H ATOM 208 HB3 GLU A 13 -3.465 -1.777 -3.712 1.00 0.00 H ATOM 209 HG2 GLU A 13 -5.707 -1.013 -5.521 1.00 0.00 H ATOM 210 HG3 GLU A 13 -4.416 -2.000 -6.207 1.00 0.00 H ATOM 211 N LYS A 14 -5.605 -1.130 -1.652 1.00 0.00 N ATOM 212 CA LYS A 14 -6.727 -1.691 -0.876 1.00 0.00 C ATOM 213 C LYS A 14 -7.365 -0.578 -0.058 1.00 0.00 C ATOM 214 O LYS A 14 -8.495 -0.669 0.360 1.00 0.00 O ATOM 215 CB LYS A 14 -6.105 -2.748 0.030 1.00 0.00 C ATOM 216 CG LYS A 14 -7.160 -3.796 0.386 1.00 0.00 C ATOM 217 CD LYS A 14 -6.824 -5.115 -0.310 1.00 0.00 C ATOM 218 CE LYS A 14 -7.849 -5.384 -1.417 1.00 0.00 C ATOM 219 NZ LYS A 14 -8.800 -6.372 -0.834 1.00 0.00 N ATOM 220 H LYS A 14 -4.703 -1.179 -1.293 1.00 0.00 H ATOM 221 HA LYS A 14 -7.442 -2.137 -1.531 1.00 0.00 H ATOM 222 HB2 LYS A 14 -5.284 -3.223 -0.487 1.00 0.00 H ATOM 223 HB3 LYS A 14 -5.744 -2.281 0.932 1.00 0.00 H ATOM 224 HG2 LYS A 14 -7.173 -3.945 1.456 1.00 0.00 H ATOM 225 HG3 LYS A 14 -8.130 -3.456 0.059 1.00 0.00 H ATOM 226 HD2 LYS A 14 -5.835 -5.053 -0.741 1.00 0.00 H ATOM 227 HD3 LYS A 14 -6.855 -5.920 0.408 1.00 0.00 H ATOM 228 HE2 LYS A 14 -8.366 -4.470 -1.678 1.00 0.00 H ATOM 229 HE3 LYS A 14 -7.364 -5.804 -2.283 1.00 0.00 H ATOM 230 HZ1 LYS A 14 -8.611 -7.312 -1.233 1.00 0.00 H ATOM 231 HZ2 LYS A 14 -9.775 -6.088 -1.062 1.00 0.00 H ATOM 232 HZ3 LYS A 14 -8.681 -6.405 0.198 1.00 0.00 H ATOM 233 N PHE A 15 -6.663 0.492 0.158 1.00 0.00 N ATOM 234 CA PHE A 15 -7.269 1.602 0.920 1.00 0.00 C ATOM 235 C PHE A 15 -8.242 2.325 0.002 1.00 0.00 C ATOM 236 O PHE A 15 -9.278 2.806 0.418 1.00 0.00 O ATOM 237 CB PHE A 15 -6.115 2.513 1.332 1.00 0.00 C ATOM 238 CG PHE A 15 -6.665 3.724 2.045 1.00 0.00 C ATOM 239 CD1 PHE A 15 -7.234 3.589 3.318 1.00 0.00 C ATOM 240 CD2 PHE A 15 -6.609 4.981 1.434 1.00 0.00 C ATOM 241 CE1 PHE A 15 -7.745 4.712 3.979 1.00 0.00 C ATOM 242 CE2 PHE A 15 -7.121 6.105 2.095 1.00 0.00 C ATOM 243 CZ PHE A 15 -7.689 5.969 3.367 1.00 0.00 C ATOM 244 H PHE A 15 -5.756 0.573 -0.196 1.00 0.00 H ATOM 245 HA PHE A 15 -7.780 1.217 1.781 1.00 0.00 H ATOM 246 HB2 PHE A 15 -5.450 1.974 1.993 1.00 0.00 H ATOM 247 HB3 PHE A 15 -5.574 2.828 0.454 1.00 0.00 H ATOM 248 HD1 PHE A 15 -7.278 2.618 3.790 1.00 0.00 H ATOM 249 HD2 PHE A 15 -6.172 5.086 0.452 1.00 0.00 H ATOM 250 HE1 PHE A 15 -8.183 4.607 4.961 1.00 0.00 H ATOM 251 HE2 PHE A 15 -7.079 7.075 1.623 1.00 0.00 H ATOM 252 HZ PHE A 15 -8.084 6.835 3.877 1.00 0.00 H ATOM 253 N LYS A 16 -7.924 2.366 -1.260 1.00 0.00 N ATOM 254 CA LYS A 16 -8.832 3.013 -2.233 1.00 0.00 C ATOM 255 C LYS A 16 -9.962 2.039 -2.550 1.00 0.00 C ATOM 256 O LYS A 16 -11.062 2.425 -2.891 1.00 0.00 O ATOM 257 CB LYS A 16 -7.977 3.284 -3.469 1.00 0.00 C ATOM 258 CG LYS A 16 -8.361 4.637 -4.075 1.00 0.00 C ATOM 259 CD LYS A 16 -7.182 5.604 -3.946 1.00 0.00 C ATOM 260 CE LYS A 16 -7.007 6.381 -5.252 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.722 7.117 -5.092 1.00 0.00 N ATOM 262 H LYS A 16 -7.098 1.943 -1.567 1.00 0.00 H ATOM 263 HA LYS A 16 -9.216 3.928 -1.835 1.00 0.00 H ATOM 264 HB2 LYS A 16 -6.936 3.302 -3.184 1.00 0.00 H ATOM 265 HB3 LYS A 16 -8.140 2.506 -4.197 1.00 0.00 H ATOM 266 HG2 LYS A 16 -8.608 4.506 -5.118 1.00 0.00 H ATOM 267 HG3 LYS A 16 -9.214 5.039 -3.550 1.00 0.00 H ATOM 268 HD2 LYS A 16 -7.372 6.295 -3.137 1.00 0.00 H ATOM 269 HD3 LYS A 16 -6.282 5.046 -3.738 1.00 0.00 H ATOM 270 HE2 LYS A 16 -6.951 5.699 -6.089 1.00 0.00 H ATOM 271 HE3 LYS A 16 -7.818 7.082 -5.387 1.00 0.00 H ATOM 272 HZ1 LYS A 16 -5.229 7.157 -6.007 1.00 0.00 H ATOM 273 HZ2 LYS A 16 -5.123 6.623 -4.398 1.00 0.00 H ATOM 274 HZ3 LYS A 16 -5.913 8.083 -4.761 1.00 0.00 H ATOM 275 N GLU A 17 -9.690 0.769 -2.412 1.00 0.00 N ATOM 276 CA GLU A 17 -10.731 -0.254 -2.671 1.00 0.00 C ATOM 277 C GLU A 17 -11.430 -0.593 -1.355 1.00 0.00 C ATOM 278 O GLU A 17 -12.590 -0.293 -1.154 1.00 0.00 O ATOM 279 CB GLU A 17 -9.974 -1.463 -3.207 1.00 0.00 C ATOM 280 CG GLU A 17 -10.657 -1.977 -4.475 1.00 0.00 C ATOM 281 CD GLU A 17 -10.880 -3.485 -4.356 1.00 0.00 C ATOM 282 OE1 GLU A 17 -10.171 -4.111 -3.585 1.00 0.00 O ATOM 283 OE2 GLU A 17 -11.756 -3.990 -5.039 1.00 0.00 O ATOM 284 H GLU A 17 -8.800 0.491 -2.119 1.00 0.00 H ATOM 285 HA GLU A 17 -11.430 0.098 -3.399 1.00 0.00 H ATOM 286 HB2 GLU A 17 -8.959 -1.177 -3.436 1.00 0.00 H ATOM 287 HB3 GLU A 17 -9.972 -2.243 -2.462 1.00 0.00 H ATOM 288 HG2 GLU A 17 -11.609 -1.478 -4.598 1.00 0.00 H ATOM 289 HG3 GLU A 17 -10.030 -1.773 -5.329 1.00 0.00 H ATOM 290 N ALA A 18 -10.713 -1.195 -0.449 1.00 0.00 N ATOM 291 CA ALA A 18 -11.303 -1.538 0.871 1.00 0.00 C ATOM 292 C ALA A 18 -11.880 -0.277 1.514 1.00 0.00 C ATOM 293 O ALA A 18 -12.716 -0.339 2.393 1.00 0.00 O ATOM 294 CB ALA A 18 -10.128 -2.069 1.693 1.00 0.00 C ATOM 295 H ALA A 18 -9.777 -1.408 -0.632 1.00 0.00 H ATOM 296 HA ALA A 18 -12.059 -2.299 0.767 1.00 0.00 H ATOM 297 HB1 ALA A 18 -9.559 -1.237 2.083 1.00 0.00 H ATOM 298 HB2 ALA A 18 -9.493 -2.672 1.061 1.00 0.00 H ATOM 299 HB3 ALA A 18 -10.498 -2.667 2.510 1.00 0.00 H ATOM 300 N PHE A 19 -11.437 0.872 1.075 1.00 0.00 N ATOM 301 CA PHE A 19 -11.953 2.141 1.648 1.00 0.00 C ATOM 302 C PHE A 19 -11.965 3.242 0.582 1.00 0.00 C ATOM 303 O PHE A 19 -11.321 4.260 0.732 1.00 0.00 O ATOM 304 CB PHE A 19 -10.982 2.497 2.769 1.00 0.00 C ATOM 305 CG PHE A 19 -11.433 1.850 4.057 1.00 0.00 C ATOM 306 CD1 PHE A 19 -11.071 0.528 4.338 1.00 0.00 C ATOM 307 CD2 PHE A 19 -12.209 2.573 4.971 1.00 0.00 C ATOM 308 CE1 PHE A 19 -11.484 -0.072 5.533 1.00 0.00 C ATOM 309 CE2 PHE A 19 -12.623 1.973 6.167 1.00 0.00 C ATOM 310 CZ PHE A 19 -12.260 0.650 6.447 1.00 0.00 C ATOM 311 H PHE A 19 -10.765 0.897 0.368 1.00 0.00 H ATOM 312 HA PHE A 19 -12.932 1.993 2.048 1.00 0.00 H ATOM 313 HB2 PHE A 19 -9.995 2.143 2.514 1.00 0.00 H ATOM 314 HB3 PHE A 19 -10.960 3.569 2.895 1.00 0.00 H ATOM 315 HD1 PHE A 19 -10.472 -0.030 3.633 1.00 0.00 H ATOM 316 HD2 PHE A 19 -12.489 3.593 4.755 1.00 0.00 H ATOM 317 HE1 PHE A 19 -11.204 -1.092 5.750 1.00 0.00 H ATOM 318 HE2 PHE A 19 -13.222 2.529 6.872 1.00 0.00 H ATOM 319 HZ PHE A 19 -12.577 0.188 7.370 1.00 0.00 H HETATM 320 N NH2 A 20 -12.676 3.077 -0.500 1.00 0.00 N HETATM 321 HN1 NH2 A 20 -12.692 3.776 -1.187 1.00 0.00 H HETATM 322 HN2 NH2 A 20 -13.197 2.257 -0.624 1.00 0.00 H TER 323 NH2 A 20 ENDMDL CONECT 1 2 3 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 320 321 322 CONECT 321 320 CONECT 322 320 MASTER 122 0 2 1 0 0 0 6 166 1 9 2 END