HEADER NEUROPEPTIDE INHIBITOR 13-AUG-09 SMS20091 TITLE SOLUTION STRUCTURE OF RSV_1NAL COMPND MOL_ID: 1; COMPND 2 MOLECULE: RSV ANALOGUE; 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: SYNTHESIZED BY FMOC CHEMISTRY. KEYWDS RSV, HELIX, NEUROPEPTIDE INHIBITOR EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR D.P.FAIRLIE,H.N.HOANG JRNL AUTH R.S.HARRISON,N.E.SHEPHERD,H.N.HOANG,G.RUIZ-GOMEZ,T.A.HILL, JRNL AUTH 2 R.W.DRIVER,V.S.DESAI,P.R.YOUNG,G.ABBENANTE,D.P.FAIRLIE JRNL TITL DOWNSIZING HUMAN, BACTERIAL, AND VIRAL PROTEINS TO SHORT JRNL TITL 2 WATER-STABLE ALPHA HELICES THAT MAINTAIN BIOLOGICAL POTENCY JRNL REF PROC.NATL.ACAD.SCI.USA V. 107 11686 2010 JRNL REFN ISSN 0027-8424 JRNL PMID 20543141 JRNL DOI 10.1073/PNAS.1002498107 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE 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 20-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20091. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 2MM RSV ANALOGUE; 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR_NIH REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH REMARK 210 EXPERIMENTAL NOESY SPECTRUM 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: 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 12 ASP A 12 -70.16 -61.82 REMARK 500 20 ASP A 12 32.05 -84.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20091 RELATED DB: BMRB REMARK 900 RELATED ID: 20090 RELATED DB: BMRB REMARK 900 KAAAD, SINGLE ALPHA HELIX TURN REMARK 900 RELATED ID: 20092 RELATED DB: BMRB REMARK 900 CSP REMARK 900 RELATED ID: 20093 RELATED DB: BMRB REMARK 900 REV-HIV DBREF A 2 13 BMRB SMS20091 SMS20091 1 12 SEQADV ACE A 1 BMRB SMS20091 ACETYLATION SEQADV NH2 A 14 BMRB SMS20091 AMIDATION SEQRES 1 A 14 ACE ALN LYS ASP GLU PHE ASP LYS SER ILE ARG ASP VAL SEQRES 2 A 14 NH2 HET ACE A 1 6 HET ALN A 2 26 HET NH2 A 14 3 HETNAM ACE ACETYL GROUP HETNAM ALN NAPHTHALEN-2-YL-3-ALANINE HETNAM NH2 AMINO GROUP FORMUL 1 ACE C2 H4 O FORMUL 1 ALN C13 H13 N O2 FORMUL 1 NH2 H2 N HELIX 1 1 ALN A 2 VAL A 13 1 12 LINK NZ LYS A 3 CG ASP A 7 1555 1555 1.34 LINK NZ LYS A 8 CG ASP A 12 1555 1555 1.33 LINK C ALN A 2 N LYS A 3 1555 1555 1.33 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 0.486 8.244 -1.263 1.00 0.00 C HETATM 2 O ACE A 1 1.459 7.522 -1.031 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.357 8.655 -0.222 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.052 8.173 0.698 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.375 8.382 -0.452 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.295 9.725 -0.107 1.00 0.00 H HETATM 7 N ALN A 2 0.181 8.672 -2.493 1.00 0.00 N HETATM 8 CA ALN A 2 0.986 8.309 -3.660 1.00 0.00 C HETATM 9 C ALN A 2 2.445 8.711 -3.458 1.00 0.00 C HETATM 10 O ALN A 2 3.353 7.898 -3.634 1.00 0.00 O HETATM 11 CB ALN A 2 0.443 8.990 -4.918 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.035 8.450 -6.191 1.00 0.00 C HETATM 13 CD1 ALN A 2 0.599 7.229 -6.680 1.00 0.00 C HETATM 14 CE1 ALN A 2 1.125 6.713 -7.846 1.00 0.00 C HETATM 15 CD2 ALN A 2 2.012 9.161 -6.882 1.00 0.00 C HETATM 16 CE2 ALN A 2 2.538 8.641 -8.053 1.00 0.00 C HETATM 17 CZ1 ALN A 2 2.093 7.420 -8.530 1.00 0.00 C HETATM 18 CG2 ALN A 2 2.471 10.385 -6.411 1.00 0.00 C HETATM 19 CD3 ALN A 2 3.443 11.082 -7.102 1.00 0.00 C HETATM 20 CE3 ALN A 2 3.964 10.561 -8.271 1.00 0.00 C HETATM 21 CZ2 ALN A 2 3.511 9.344 -8.743 1.00 0.00 C HETATM 22 H ALN A 2 -0.605 9.245 -2.617 1.00 0.00 H HETATM 23 HA ALN A 2 0.931 7.239 -3.784 1.00 0.00 H HETATM 24 HB2 ALN A 2 -0.627 8.846 -4.962 1.00 0.00 H HETATM 25 HB3 ALN A 2 0.656 10.047 -4.869 1.00 0.00 H HETATM 26 HD1 ALN A 2 -0.159 6.680 -6.141 1.00 0.00 H HETATM 27 HE1 ALN A 2 0.782 5.760 -8.221 1.00 0.00 H HETATM 28 HZ1 ALN A 2 2.508 7.021 -9.444 1.00 0.00 H HETATM 29 HG2 ALN A 2 2.063 10.792 -5.499 1.00 0.00 H HETATM 30 HD3 ALN A 2 3.797 12.032 -6.728 1.00 0.00 H HETATM 31 HE3 ALN A 2 4.723 11.103 -8.815 1.00 0.00 H HETATM 32 HZ2 ALN A 2 3.916 8.936 -9.656 1.00 0.00 H ATOM 33 N LYS A 3 2.655 9.969 -3.079 1.00 0.00 N ATOM 34 CA LYS A 3 3.997 10.485 -2.834 1.00 0.00 C ATOM 35 C LYS A 3 4.478 10.078 -1.448 1.00 0.00 C ATOM 36 O LYS A 3 5.655 9.782 -1.252 1.00 0.00 O ATOM 37 CB LYS A 3 4.023 12.004 -2.930 1.00 0.00 C ATOM 38 CG LYS A 3 5.434 12.568 -2.907 1.00 0.00 C ATOM 39 CD LYS A 3 5.476 13.957 -2.297 1.00 0.00 C ATOM 40 CE LYS A 3 6.818 14.218 -1.629 1.00 0.00 C ATOM 41 NZ LYS A 3 7.086 13.253 -0.558 1.00 0.00 N ATOM 42 H LYS A 3 1.886 10.562 -2.951 1.00 0.00 H ATOM 43 HA LYS A 3 4.661 10.069 -3.576 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.540 12.302 -3.842 1.00 0.00 H ATOM 45 HB3 LYS A 3 3.479 12.416 -2.093 1.00 0.00 H ATOM 46 HG2 LYS A 3 6.065 11.912 -2.327 1.00 0.00 H ATOM 47 HG3 LYS A 3 5.804 12.620 -3.921 1.00 0.00 H ATOM 48 HD2 LYS A 3 5.322 14.688 -3.075 1.00 0.00 H ATOM 49 HD3 LYS A 3 4.692 14.041 -1.557 1.00 0.00 H ATOM 50 HE2 LYS A 3 7.598 14.145 -2.372 1.00 0.00 H ATOM 51 HE3 LYS A 3 6.811 15.214 -1.211 1.00 0.00 H ATOM 52 HZ1 LYS A 3 6.322 12.949 -0.023 1.00 0.00 H ATOM 53 N ASP A 4 3.548 10.093 -0.491 1.00 0.00 N ATOM 54 CA ASP A 4 3.842 9.742 0.903 1.00 0.00 C ATOM 55 C ASP A 4 4.766 8.529 0.989 1.00 0.00 C ATOM 56 O ASP A 4 5.741 8.537 1.741 1.00 0.00 O ATOM 57 CB ASP A 4 2.543 9.453 1.667 1.00 0.00 C ATOM 58 CG ASP A 4 1.615 10.658 1.763 1.00 0.00 C ATOM 59 OD1 ASP A 4 1.975 11.745 1.258 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.522 10.512 2.350 1.00 0.00 O ATOM 61 H ASP A 4 2.636 10.363 -0.732 1.00 0.00 H ATOM 62 HA ASP A 4 4.336 10.587 1.359 1.00 0.00 H ATOM 63 HB2 ASP A 4 2.011 8.659 1.166 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.790 9.133 2.670 1.00 0.00 H ATOM 65 N GLU A 5 4.458 7.494 0.207 1.00 0.00 N ATOM 66 CA GLU A 5 5.268 6.277 0.185 1.00 0.00 C ATOM 67 C GLU A 5 6.691 6.560 -0.316 1.00 0.00 C ATOM 68 O GLU A 5 7.658 6.021 0.220 1.00 0.00 O ATOM 69 CB GLU A 5 4.598 5.195 -0.676 1.00 0.00 C ATOM 70 CG GLU A 5 4.167 5.679 -2.055 1.00 0.00 C ATOM 71 CD GLU A 5 3.575 4.583 -2.929 1.00 0.00 C ATOM 72 OE1 GLU A 5 3.566 3.407 -2.505 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.122 4.906 -4.048 1.00 0.00 O ATOM 74 H GLU A 5 3.671 7.555 -0.375 1.00 0.00 H ATOM 75 HA GLU A 5 5.334 5.916 1.201 1.00 0.00 H ATOM 76 HB2 GLU A 5 5.290 4.377 -0.807 1.00 0.00 H ATOM 77 HB3 GLU A 5 3.722 4.834 -0.157 1.00 0.00 H ATOM 78 HG2 GLU A 5 3.424 6.450 -1.931 1.00 0.00 H ATOM 79 HG3 GLU A 5 5.025 6.093 -2.558 1.00 0.00 H ATOM 80 N PHE A 6 6.810 7.411 -1.341 1.00 0.00 N ATOM 81 CA PHE A 6 8.116 7.767 -1.909 1.00 0.00 C ATOM 82 C PHE A 6 8.971 8.553 -0.908 1.00 0.00 C ATOM 83 O PHE A 6 10.091 8.144 -0.588 1.00 0.00 O ATOM 84 CB PHE A 6 7.941 8.592 -3.194 1.00 0.00 C ATOM 85 CG PHE A 6 7.488 7.804 -4.399 1.00 0.00 C ATOM 86 CD1 PHE A 6 6.730 6.650 -4.263 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.818 8.231 -5.677 1.00 0.00 C ATOM 88 CE1 PHE A 6 6.312 5.940 -5.373 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.403 7.524 -6.790 1.00 0.00 C ATOM 90 CZ PHE A 6 6.650 6.377 -6.638 1.00 0.00 C ATOM 91 H PHE A 6 6.001 7.812 -1.724 1.00 0.00 H ATOM 92 HA PHE A 6 8.628 6.848 -2.152 1.00 0.00 H ATOM 93 HB2 PHE A 6 7.208 9.364 -3.015 1.00 0.00 H ATOM 94 HB3 PHE A 6 8.886 9.057 -3.438 1.00 0.00 H ATOM 95 HD1 PHE A 6 6.467 6.305 -3.277 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.406 9.128 -5.800 1.00 0.00 H ATOM 97 HE1 PHE A 6 5.721 5.044 -5.250 1.00 0.00 H ATOM 98 HE2 PHE A 6 7.669 7.868 -7.779 1.00 0.00 H ATOM 99 HZ PHE A 6 6.324 5.823 -7.506 1.00 0.00 H ATOM 100 N ASP A 7 8.442 9.683 -0.418 1.00 0.00 N ATOM 101 CA ASP A 7 9.169 10.522 0.542 1.00 0.00 C ATOM 102 C ASP A 7 9.497 9.755 1.822 1.00 0.00 C ATOM 103 O ASP A 7 10.618 9.837 2.326 1.00 0.00 O ATOM 104 CB ASP A 7 8.375 11.790 0.888 1.00 0.00 C ATOM 105 CG ASP A 7 8.299 12.777 -0.268 1.00 0.00 C ATOM 106 OD1 ASP A 7 9.317 13.117 -0.876 1.00 0.00 O ATOM 107 H ASP A 7 7.548 9.958 -0.712 1.00 0.00 H ATOM 108 HA ASP A 7 10.098 10.814 0.075 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.369 11.511 1.162 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.846 12.283 1.727 1.00 0.00 H ATOM 111 N LYS A 8 8.519 9.012 2.346 1.00 0.00 N ATOM 112 CA LYS A 8 8.720 8.236 3.570 1.00 0.00 C ATOM 113 C LYS A 8 9.770 7.146 3.366 1.00 0.00 C ATOM 114 O LYS A 8 10.625 6.937 4.228 1.00 0.00 O ATOM 115 CB LYS A 8 7.400 7.621 4.052 1.00 0.00 C ATOM 116 CG LYS A 8 7.551 6.758 5.299 1.00 0.00 C ATOM 117 CD LYS A 8 7.928 5.323 4.952 1.00 0.00 C ATOM 118 CE LYS A 8 8.638 4.634 6.106 1.00 0.00 C ATOM 119 NZ LYS A 8 10.072 4.482 5.853 1.00 0.00 N ATOM 120 H LYS A 8 7.645 8.985 1.901 1.00 0.00 H ATOM 121 HA LYS A 8 9.080 8.917 4.327 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.705 8.417 4.273 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.992 7.006 3.263 1.00 0.00 H ATOM 124 HG2 LYS A 8 8.323 7.180 5.925 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.613 6.755 5.835 1.00 0.00 H ATOM 126 HD2 LYS A 8 7.028 4.773 4.721 1.00 0.00 H ATOM 127 HD3 LYS A 8 8.579 5.327 4.091 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.500 5.224 7.000 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.201 3.657 6.249 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.343 4.195 4.955 1.00 0.00 H ATOM 131 N SER A 9 9.701 6.454 2.224 1.00 0.00 N ATOM 132 CA SER A 9 10.653 5.385 1.914 1.00 0.00 C ATOM 133 C SER A 9 12.089 5.887 2.045 1.00 0.00 C ATOM 134 O SER A 9 12.927 5.235 2.670 1.00 0.00 O ATOM 135 CB SER A 9 10.413 4.845 0.500 1.00 0.00 C ATOM 136 OG SER A 9 11.310 3.789 0.198 1.00 0.00 O ATOM 137 H SER A 9 8.996 6.668 1.576 1.00 0.00 H ATOM 138 HA SER A 9 10.497 4.588 2.626 1.00 0.00 H ATOM 139 HB2 SER A 9 9.403 4.472 0.426 1.00 0.00 H ATOM 140 HB3 SER A 9 10.557 5.640 -0.216 1.00 0.00 H ATOM 141 HG SER A 9 12.065 4.137 -0.283 1.00 0.00 H ATOM 142 N ILE A 10 12.357 7.058 1.465 1.00 0.00 N ATOM 143 CA ILE A 10 13.683 7.665 1.527 1.00 0.00 C ATOM 144 C ILE A 10 14.022 8.074 2.961 1.00 0.00 C ATOM 145 O ILE A 10 15.141 7.852 3.429 1.00 0.00 O ATOM 146 CB ILE A 10 13.775 8.906 0.609 1.00 0.00 C ATOM 147 CG1 ILE A 10 13.464 8.522 -0.843 1.00 0.00 C ATOM 148 CG2 ILE A 10 15.152 9.550 0.714 1.00 0.00 C ATOM 149 CD1 ILE A 10 13.483 9.695 -1.801 1.00 0.00 C ATOM 150 H ILE A 10 11.639 7.532 0.994 1.00 0.00 H ATOM 151 HA ILE A 10 14.405 6.934 1.190 1.00 0.00 H ATOM 152 HB ILE A 10 13.045 9.627 0.946 1.00 0.00 H ATOM 153 HG12 ILE A 10 14.196 7.805 -1.184 1.00 0.00 H ATOM 154 HG13 ILE A 10 12.482 8.074 -0.886 1.00 0.00 H ATOM 155 HG21 ILE A 10 15.913 8.785 0.660 1.00 0.00 H ATOM 156 HG22 ILE A 10 15.234 10.073 1.656 1.00 0.00 H ATOM 157 HG23 ILE A 10 15.286 10.250 -0.098 1.00 0.00 H ATOM 158 HD11 ILE A 10 12.966 10.532 -1.355 1.00 0.00 H ATOM 159 HD12 ILE A 10 12.990 9.417 -2.721 1.00 0.00 H ATOM 160 HD13 ILE A 10 14.505 9.972 -2.011 1.00 0.00 H ATOM 161 N ARG A 11 13.042 8.670 3.649 1.00 0.00 N ATOM 162 CA ARG A 11 13.217 9.118 5.031 1.00 0.00 C ATOM 163 C ARG A 11 13.683 7.973 5.933 1.00 0.00 C ATOM 164 O ARG A 11 14.630 8.135 6.706 1.00 0.00 O ATOM 165 CB ARG A 11 11.906 9.708 5.564 1.00 0.00 C ATOM 166 CG ARG A 11 12.013 10.284 6.969 1.00 0.00 C ATOM 167 CD ARG A 11 13.008 11.435 7.028 1.00 0.00 C ATOM 168 NE ARG A 11 12.632 12.537 6.141 1.00 0.00 N ATOM 169 CZ ARG A 11 13.362 13.642 5.965 1.00 0.00 C ATOM 170 NH1 ARG A 11 14.518 13.801 6.608 1.00 0.00 N ATOM 171 NH2 ARG A 11 12.935 14.591 5.139 1.00 0.00 N ATOM 172 H ARG A 11 12.176 8.812 3.213 1.00 0.00 H ATOM 173 HA ARG A 11 13.972 9.889 5.034 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.586 10.497 4.900 1.00 0.00 H ATOM 175 HB3 ARG A 11 11.154 8.932 5.572 1.00 0.00 H ATOM 176 HG2 ARG A 11 11.043 10.644 7.275 1.00 0.00 H ATOM 177 HG3 ARG A 11 12.338 9.504 7.643 1.00 0.00 H ATOM 178 HD2 ARG A 11 13.051 11.803 8.043 1.00 0.00 H ATOM 179 HD3 ARG A 11 13.981 11.068 6.738 1.00 0.00 H ATOM 180 HE ARG A 11 11.787 12.453 5.650 1.00 0.00 H ATOM 181 HH11 ARG A 11 14.849 13.092 7.230 1.00 0.00 H ATOM 182 HH12 ARG A 11 15.056 14.633 6.468 1.00 0.00 H ATOM 183 HH21 ARG A 11 12.069 14.477 4.651 1.00 0.00 H ATOM 184 HH22 ARG A 11 13.479 15.419 5.004 1.00 0.00 H ATOM 185 N ASP A 12 13.020 6.817 5.824 1.00 0.00 N ATOM 186 CA ASP A 12 13.380 5.646 6.626 1.00 0.00 C ATOM 187 C ASP A 12 14.829 5.236 6.364 1.00 0.00 C ATOM 188 O ASP A 12 15.582 4.953 7.299 1.00 0.00 O ATOM 189 CB ASP A 12 12.451 4.465 6.319 1.00 0.00 C ATOM 190 CG ASP A 12 11.018 4.694 6.770 1.00 0.00 C ATOM 191 OD1 ASP A 12 10.768 5.036 7.927 1.00 0.00 O ATOM 192 H ASP A 12 12.279 6.749 5.186 1.00 0.00 H ATOM 193 HA ASP A 12 13.276 5.914 7.667 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.446 4.292 5.253 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.828 3.583 6.817 1.00 0.00 H ATOM 196 N VAL A 13 15.208 5.211 5.085 1.00 0.00 N ATOM 197 CA VAL A 13 16.565 4.841 4.682 1.00 0.00 C ATOM 198 C VAL A 13 16.799 5.112 3.191 1.00 0.00 C ATOM 199 O VAL A 13 17.866 5.585 2.799 1.00 0.00 O ATOM 200 CB VAL A 13 16.867 3.354 4.991 1.00 0.00 C ATOM 201 CG1 VAL A 13 15.949 2.432 4.200 1.00 0.00 C ATOM 202 CG2 VAL A 13 18.329 3.030 4.714 1.00 0.00 C ATOM 203 H VAL A 13 14.556 5.452 4.394 1.00 0.00 H ATOM 204 HA VAL A 13 17.253 5.448 5.253 1.00 0.00 H ATOM 205 HB VAL A 13 16.681 3.186 6.042 1.00 0.00 H ATOM 206 HG11 VAL A 13 16.031 1.427 4.584 1.00 0.00 H ATOM 207 HG12 VAL A 13 16.237 2.444 3.159 1.00 0.00 H ATOM 208 HG13 VAL A 13 14.928 2.771 4.295 1.00 0.00 H ATOM 209 HG21 VAL A 13 18.813 2.736 5.634 1.00 0.00 H ATOM 210 HG22 VAL A 13 18.823 3.902 4.311 1.00 0.00 H ATOM 211 HG23 VAL A 13 18.391 2.221 4.001 1.00 0.00 H HETATM 212 N NH2 A 14 15.802 4.821 2.357 1.00 0.00 N HETATM 213 HN1 NH2 A 14 14.977 4.445 2.729 1.00 0.00 H HETATM 214 HN2 NH2 A 14 15.934 4.995 1.402 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 2 HETATM 1 C ACE A 1 0.524 7.816 -1.803 1.00 0.00 C HETATM 2 O ACE A 1 1.532 7.671 -1.113 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.745 7.830 -1.207 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.135 8.839 -1.219 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.671 7.483 -0.189 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.409 7.180 -1.755 1.00 0.00 H HETATM 7 N ALN A 2 0.571 7.965 -3.130 1.00 0.00 N HETATM 8 CA ALN A 2 1.835 7.967 -3.875 1.00 0.00 C HETATM 9 C ALN A 2 2.818 9.009 -3.333 1.00 0.00 C HETATM 10 O ALN A 2 4.015 8.740 -3.220 1.00 0.00 O HETATM 11 CB ALN A 2 1.565 8.226 -5.366 1.00 0.00 C HETATM 12 CG1 ALN A 2 2.796 8.568 -6.174 1.00 0.00 C HETATM 13 CD1 ALN A 2 2.862 9.793 -6.818 1.00 0.00 C HETATM 14 CE1 ALN A 2 3.974 10.139 -7.559 1.00 0.00 C HETATM 15 CD2 ALN A 2 3.866 7.678 -6.277 1.00 0.00 C HETATM 16 CE2 ALN A 2 4.982 8.030 -7.020 1.00 0.00 C HETATM 17 CZ1 ALN A 2 5.031 9.258 -7.657 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.830 6.442 -5.646 1.00 0.00 C HETATM 19 CD3 ALN A 2 4.896 5.568 -5.754 1.00 0.00 C HETATM 20 CE3 ALN A 2 6.006 5.923 -6.494 1.00 0.00 C HETATM 21 CZ2 ALN A 2 6.047 7.151 -7.124 1.00 0.00 C HETATM 22 H ALN A 2 -0.269 8.077 -3.624 1.00 0.00 H HETATM 23 HA ALN A 2 2.277 6.992 -3.767 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.123 7.342 -5.799 1.00 0.00 H HETATM 25 HB3 ALN A 2 0.869 9.047 -5.457 1.00 0.00 H HETATM 26 HD1 ALN A 2 2.033 10.480 -6.738 1.00 0.00 H HETATM 27 HE1 ALN A 2 4.017 11.096 -8.057 1.00 0.00 H HETATM 28 HZ1 ALN A 2 5.904 9.525 -8.233 1.00 0.00 H HETATM 29 HG2 ALN A 2 2.963 6.163 -5.069 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.860 4.608 -5.260 1.00 0.00 H HETATM 31 HE3 ALN A 2 6.840 5.243 -6.580 1.00 0.00 H HETATM 32 HZ2 ALN A 2 6.913 7.432 -7.703 1.00 0.00 H ATOM 33 N LYS A 3 2.309 10.197 -3.015 1.00 0.00 N ATOM 34 CA LYS A 3 3.145 11.280 -2.500 1.00 0.00 C ATOM 35 C LYS A 3 3.767 10.901 -1.151 1.00 0.00 C ATOM 36 O LYS A 3 4.985 10.770 -1.040 1.00 0.00 O ATOM 37 CB LYS A 3 2.305 12.564 -2.364 1.00 0.00 C ATOM 38 CG LYS A 3 3.108 13.851 -2.171 1.00 0.00 C ATOM 39 CD LYS A 3 3.935 13.834 -0.892 1.00 0.00 C ATOM 40 CE LYS A 3 5.417 13.668 -1.190 1.00 0.00 C ATOM 41 NZ LYS A 3 6.113 12.931 -0.138 1.00 0.00 N ATOM 42 H LYS A 3 1.349 10.353 -3.137 1.00 0.00 H ATOM 43 HA LYS A 3 3.938 11.453 -3.212 1.00 0.00 H ATOM 44 HB2 LYS A 3 1.708 12.678 -3.256 1.00 0.00 H ATOM 45 HB3 LYS A 3 1.642 12.453 -1.518 1.00 0.00 H ATOM 46 HG2 LYS A 3 3.774 13.974 -3.012 1.00 0.00 H ATOM 47 HG3 LYS A 3 2.422 14.685 -2.133 1.00 0.00 H ATOM 48 HD2 LYS A 3 3.787 14.767 -0.369 1.00 0.00 H ATOM 49 HD3 LYS A 3 3.606 13.016 -0.270 1.00 0.00 H ATOM 50 HE2 LYS A 3 5.527 13.133 -2.122 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.863 14.648 -1.285 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.568 12.543 0.580 1.00 0.00 H ATOM 53 N ASP A 4 2.920 10.738 -0.131 1.00 0.00 N ATOM 54 CA ASP A 4 3.376 10.401 1.223 1.00 0.00 C ATOM 55 C ASP A 4 4.235 9.132 1.278 1.00 0.00 C ATOM 56 O ASP A 4 5.204 9.078 2.039 1.00 0.00 O ATOM 57 CB ASP A 4 2.177 10.276 2.178 1.00 0.00 C ATOM 58 CG ASP A 4 1.142 9.260 1.721 1.00 0.00 C ATOM 59 OD1 ASP A 4 1.425 8.045 1.784 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.046 9.682 1.297 1.00 0.00 O ATOM 61 H ASP A 4 1.960 10.865 -0.288 1.00 0.00 H ATOM 62 HA ASP A 4 3.985 11.226 1.562 1.00 0.00 H ATOM 63 HB2 ASP A 4 2.534 9.977 3.151 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.694 11.239 2.260 1.00 0.00 H ATOM 65 N GLU A 5 3.880 8.109 0.498 1.00 0.00 N ATOM 66 CA GLU A 5 4.632 6.852 0.504 1.00 0.00 C ATOM 67 C GLU A 5 6.040 7.032 -0.065 1.00 0.00 C ATOM 68 O GLU A 5 7.003 6.504 0.488 1.00 0.00 O ATOM 69 CB GLU A 5 3.882 5.755 -0.266 1.00 0.00 C ATOM 70 CG GLU A 5 3.835 5.964 -1.773 1.00 0.00 C ATOM 71 CD GLU A 5 2.994 4.918 -2.480 1.00 0.00 C ATOM 72 OE1 GLU A 5 1.769 4.875 -2.236 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.559 4.140 -3.275 1.00 0.00 O ATOM 74 H GLU A 5 3.092 8.195 -0.080 1.00 0.00 H ATOM 75 HA GLU A 5 4.724 6.542 1.535 1.00 0.00 H ATOM 76 HB2 GLU A 5 4.364 4.808 -0.075 1.00 0.00 H ATOM 77 HB3 GLU A 5 2.867 5.709 0.100 1.00 0.00 H ATOM 78 HG2 GLU A 5 3.418 6.937 -1.976 1.00 0.00 H ATOM 79 HG3 GLU A 5 4.842 5.917 -2.161 1.00 0.00 H ATOM 80 N PHE A 6 6.155 7.772 -1.170 1.00 0.00 N ATOM 81 CA PHE A 6 7.451 8.009 -1.811 1.00 0.00 C ATOM 82 C PHE A 6 8.407 8.767 -0.884 1.00 0.00 C ATOM 83 O PHE A 6 9.553 8.348 -0.684 1.00 0.00 O ATOM 84 CB PHE A 6 7.258 8.786 -3.118 1.00 0.00 C ATOM 85 CG PHE A 6 8.535 9.031 -3.875 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.409 7.989 -4.148 1.00 0.00 C ATOM 87 CD2 PHE A 6 8.859 10.304 -4.316 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.581 8.214 -4.845 1.00 0.00 C ATOM 89 CE2 PHE A 6 10.030 10.534 -5.014 1.00 0.00 C ATOM 90 CZ PHE A 6 10.892 9.487 -5.278 1.00 0.00 C ATOM 91 H PHE A 6 5.349 8.166 -1.567 1.00 0.00 H ATOM 92 HA PHE A 6 7.883 7.046 -2.039 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.594 8.231 -3.763 1.00 0.00 H ATOM 94 HB3 PHE A 6 6.814 9.745 -2.895 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.167 6.993 -3.810 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.187 11.124 -4.109 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.253 7.394 -5.050 1.00 0.00 H ATOM 98 HE2 PHE A 6 10.271 11.531 -5.352 1.00 0.00 H ATOM 99 HZ PHE A 6 11.807 9.665 -5.823 1.00 0.00 H ATOM 100 N ASP A 7 7.930 9.880 -0.320 1.00 0.00 N ATOM 101 CA ASP A 7 8.743 10.695 0.586 1.00 0.00 C ATOM 102 C ASP A 7 9.202 9.875 1.789 1.00 0.00 C ATOM 103 O ASP A 7 10.347 9.996 2.228 1.00 0.00 O ATOM 104 CB ASP A 7 7.966 11.932 1.053 1.00 0.00 C ATOM 105 CG ASP A 7 7.430 12.745 -0.112 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.189 13.183 -0.979 1.00 0.00 O ATOM 107 H ASP A 7 7.011 10.159 -0.517 1.00 0.00 H ATOM 108 HA ASP A 7 9.616 11.018 0.038 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.133 11.618 1.664 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.621 12.562 1.637 1.00 0.00 H ATOM 111 N LYS A 8 8.308 9.033 2.314 1.00 0.00 N ATOM 112 CA LYS A 8 8.641 8.190 3.457 1.00 0.00 C ATOM 113 C LYS A 8 9.601 7.072 3.048 1.00 0.00 C ATOM 114 O LYS A 8 10.494 6.715 3.813 1.00 0.00 O ATOM 115 CB LYS A 8 7.378 7.606 4.102 1.00 0.00 C ATOM 116 CG LYS A 8 7.661 6.820 5.376 1.00 0.00 C ATOM 117 CD LYS A 8 8.037 5.375 5.083 1.00 0.00 C ATOM 118 CE LYS A 8 8.751 4.730 6.262 1.00 0.00 C ATOM 119 NZ LYS A 8 10.210 4.775 6.123 1.00 0.00 N ATOM 120 H LYS A 8 7.413 8.973 1.919 1.00 0.00 H ATOM 121 HA LYS A 8 9.140 8.816 4.183 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.704 8.415 4.344 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.898 6.946 3.395 1.00 0.00 H ATOM 124 HG2 LYS A 8 8.476 7.292 5.903 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.776 6.833 5.996 1.00 0.00 H ATOM 126 HD2 LYS A 8 7.137 4.816 4.874 1.00 0.00 H ATOM 127 HD3 LYS A 8 8.686 5.346 4.222 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.470 5.252 7.165 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.438 3.698 6.334 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.691 5.469 6.618 1.00 0.00 H ATOM 131 N SER A 9 9.419 6.527 1.837 1.00 0.00 N ATOM 132 CA SER A 9 10.288 5.456 1.341 1.00 0.00 C ATOM 133 C SER A 9 11.755 5.856 1.477 1.00 0.00 C ATOM 134 O SER A 9 12.560 5.109 2.035 1.00 0.00 O ATOM 135 CB SER A 9 9.971 5.125 -0.121 1.00 0.00 C ATOM 136 OG SER A 9 8.668 4.586 -0.255 1.00 0.00 O ATOM 137 H SER A 9 8.692 6.855 1.267 1.00 0.00 H ATOM 138 HA SER A 9 10.111 4.580 1.947 1.00 0.00 H ATOM 139 HB2 SER A 9 10.037 6.025 -0.714 1.00 0.00 H ATOM 140 HB3 SER A 9 10.686 4.402 -0.487 1.00 0.00 H ATOM 141 HG SER A 9 8.113 5.205 -0.735 1.00 0.00 H ATOM 142 N ILE A 10 12.088 7.053 0.988 1.00 0.00 N ATOM 143 CA ILE A 10 13.455 7.564 1.084 1.00 0.00 C ATOM 144 C ILE A 10 13.783 7.944 2.534 1.00 0.00 C ATOM 145 O ILE A 10 14.913 7.767 2.991 1.00 0.00 O ATOM 146 CB ILE A 10 13.686 8.781 0.154 1.00 0.00 C ATOM 147 CG1 ILE A 10 15.145 9.246 0.235 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.738 9.922 0.504 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.480 10.378 -0.714 1.00 0.00 C ATOM 150 H ILE A 10 11.396 7.611 0.571 1.00 0.00 H ATOM 151 HA ILE A 10 14.123 6.771 0.776 1.00 0.00 H ATOM 152 HB ILE A 10 13.474 8.473 -0.858 1.00 0.00 H ATOM 153 HG12 ILE A 10 15.353 9.587 1.239 1.00 0.00 H ATOM 154 HG13 ILE A 10 15.794 8.414 0.002 1.00 0.00 H ATOM 155 HG21 ILE A 10 12.943 10.769 -0.135 1.00 0.00 H ATOM 156 HG22 ILE A 10 12.881 10.208 1.535 1.00 0.00 H ATOM 157 HG23 ILE A 10 11.718 9.601 0.357 1.00 0.00 H ATOM 158 HD11 ILE A 10 16.039 9.990 -1.553 1.00 0.00 H ATOM 159 HD12 ILE A 10 16.072 11.118 -0.198 1.00 0.00 H ATOM 160 HD13 ILE A 10 14.567 10.832 -1.070 1.00 0.00 H ATOM 161 N ARG A 11 12.776 8.459 3.249 1.00 0.00 N ATOM 162 CA ARG A 11 12.932 8.860 4.649 1.00 0.00 C ATOM 163 C ARG A 11 13.315 7.667 5.530 1.00 0.00 C ATOM 164 O ARG A 11 14.143 7.804 6.434 1.00 0.00 O ATOM 165 CB ARG A 11 11.632 9.509 5.150 1.00 0.00 C ATOM 166 CG ARG A 11 11.675 9.987 6.597 1.00 0.00 C ATOM 167 CD ARG A 11 11.427 8.849 7.581 1.00 0.00 C ATOM 168 NE ARG A 11 11.406 9.315 8.969 1.00 0.00 N ATOM 169 CZ ARG A 11 12.472 9.789 9.622 1.00 0.00 C ATOM 170 NH1 ARG A 11 13.668 9.821 9.038 1.00 0.00 N ATOM 171 NH2 ARG A 11 12.342 10.221 10.872 1.00 0.00 N ATOM 172 H ARG A 11 11.900 8.567 2.824 1.00 0.00 H ATOM 173 HA ARG A 11 13.725 9.591 4.694 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.409 10.360 4.525 1.00 0.00 H ATOM 175 HB3 ARG A 11 10.831 8.791 5.057 1.00 0.00 H ATOM 176 HG2 ARG A 11 12.646 10.414 6.795 1.00 0.00 H ATOM 177 HG3 ARG A 11 10.914 10.742 6.737 1.00 0.00 H ATOM 178 HD2 ARG A 11 10.476 8.394 7.352 1.00 0.00 H ATOM 179 HD3 ARG A 11 12.210 8.116 7.472 1.00 0.00 H ATOM 180 HE ARG A 11 10.545 9.285 9.438 1.00 0.00 H ATOM 181 HH11 ARG A 11 13.780 9.488 8.103 1.00 0.00 H ATOM 182 HH12 ARG A 11 14.457 10.180 9.537 1.00 0.00 H ATOM 183 HH21 ARG A 11 11.449 10.191 11.322 1.00 0.00 H ATOM 184 HH22 ARG A 11 13.137 10.576 11.365 1.00 0.00 H ATOM 185 N ASP A 12 12.711 6.501 5.261 1.00 0.00 N ATOM 186 CA ASP A 12 12.990 5.282 6.029 1.00 0.00 C ATOM 187 C ASP A 12 14.493 5.088 6.235 1.00 0.00 C ATOM 188 O ASP A 12 14.957 4.945 7.368 1.00 0.00 O ATOM 189 CB ASP A 12 12.420 4.048 5.313 1.00 0.00 C ATOM 190 CG ASP A 12 10.898 3.910 5.368 1.00 0.00 C ATOM 191 OD1 ASP A 12 10.344 3.009 4.737 1.00 0.00 O ATOM 192 H ASP A 12 12.063 6.461 4.527 1.00 0.00 H ATOM 193 HA ASP A 12 12.516 5.380 6.994 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.709 4.087 4.275 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.852 3.162 5.758 1.00 0.00 H ATOM 196 N VAL A 13 15.248 5.087 5.134 1.00 0.00 N ATOM 197 CA VAL A 13 16.700 4.914 5.196 1.00 0.00 C ATOM 198 C VAL A 13 17.399 6.190 5.672 1.00 0.00 C ATOM 199 O VAL A 13 18.375 6.130 6.420 1.00 0.00 O ATOM 200 CB VAL A 13 17.290 4.480 3.832 1.00 0.00 C ATOM 201 CG1 VAL A 13 16.741 3.122 3.419 1.00 0.00 C ATOM 202 CG2 VAL A 13 17.012 5.521 2.755 1.00 0.00 C ATOM 203 H VAL A 13 14.819 5.208 4.261 1.00 0.00 H ATOM 204 HA VAL A 13 16.902 4.128 5.910 1.00 0.00 H ATOM 205 HB VAL A 13 18.361 4.388 3.943 1.00 0.00 H ATOM 206 HG11 VAL A 13 17.017 2.383 4.156 1.00 0.00 H ATOM 207 HG12 VAL A 13 17.152 2.845 2.460 1.00 0.00 H ATOM 208 HG13 VAL A 13 15.665 3.175 3.348 1.00 0.00 H ATOM 209 HG21 VAL A 13 17.440 5.192 1.819 1.00 0.00 H ATOM 210 HG22 VAL A 13 17.454 6.464 3.040 1.00 0.00 H ATOM 211 HG23 VAL A 13 15.946 5.644 2.639 1.00 0.00 H HETATM 212 N NH2 A 14 16.902 7.348 5.242 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.123 7.329 4.647 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.336 8.175 5.538 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 3 HETATM 1 C ACE A 1 1.334 7.127 -2.234 1.00 0.00 C HETATM 2 O ACE A 1 2.533 6.871 -2.126 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.401 6.537 -1.370 1.00 0.00 C HETATM 4 H1 ACE A 1 0.916 5.894 -0.669 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.304 5.955 -1.942 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.130 7.307 -0.830 1.00 0.00 H HETATM 7 N ALN A 2 0.859 7.965 -3.158 1.00 0.00 N HETATM 8 CA ALN A 2 1.737 8.641 -4.116 1.00 0.00 C HETATM 9 C ALN A 2 2.782 9.498 -3.399 1.00 0.00 C HETATM 10 O ALN A 2 3.963 9.464 -3.741 1.00 0.00 O HETATM 11 CB ALN A 2 0.907 9.515 -5.067 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.720 10.247 -6.105 1.00 0.00 C HETATM 13 CD1 ALN A 2 1.744 11.633 -6.100 1.00 0.00 C HETATM 14 CE1 ALN A 2 2.481 12.326 -7.039 1.00 0.00 C HETATM 15 CD2 ALN A 2 2.446 9.550 -7.070 1.00 0.00 C HETATM 16 CE2 ALN A 2 3.185 10.249 -8.012 1.00 0.00 C HETATM 17 CZ1 ALN A 2 3.198 11.633 -7.993 1.00 0.00 C HETATM 18 CG2 ALN A 2 2.439 8.162 -7.102 1.00 0.00 C HETATM 19 CD3 ALN A 2 3.160 7.478 -8.062 1.00 0.00 C HETATM 20 CE3 ALN A 2 3.895 8.178 -9.000 1.00 0.00 C HETATM 21 CZ2 ALN A 2 3.905 9.559 -8.973 1.00 0.00 C HETATM 22 H ALN A 2 -0.106 8.133 -3.197 1.00 0.00 H HETATM 23 HA ALN A 2 2.245 7.883 -4.688 1.00 0.00 H HETATM 24 HB2 ALN A 2 0.197 8.889 -5.587 1.00 0.00 H HETATM 25 HB3 ALN A 2 0.369 10.250 -4.487 1.00 0.00 H HETATM 26 HD1 ALN A 2 1.181 12.171 -5.352 1.00 0.00 H HETATM 27 HE1 ALN A 2 2.495 13.406 -7.028 1.00 0.00 H HETATM 28 HZ1 ALN A 2 3.776 12.171 -8.730 1.00 0.00 H HETATM 29 HG2 ALN A 2 1.864 7.615 -6.371 1.00 0.00 H HETATM 30 HD3 ALN A 2 3.150 6.398 -8.079 1.00 0.00 H HETATM 31 HE3 ALN A 2 4.459 7.647 -9.752 1.00 0.00 H HETATM 32 HZ2 ALN A 2 4.479 10.109 -9.704 1.00 0.00 H ATOM 33 N LYS A 3 2.335 10.265 -2.407 1.00 0.00 N ATOM 34 CA LYS A 3 3.223 11.135 -1.638 1.00 0.00 C ATOM 35 C LYS A 3 3.836 10.405 -0.443 1.00 0.00 C ATOM 36 O LYS A 3 5.057 10.273 -0.341 1.00 0.00 O ATOM 37 CB LYS A 3 2.449 12.372 -1.155 1.00 0.00 C ATOM 38 CG LYS A 3 3.037 13.036 0.085 1.00 0.00 C ATOM 39 CD LYS A 3 4.534 13.268 -0.049 1.00 0.00 C ATOM 40 CE LYS A 3 5.207 13.290 1.313 1.00 0.00 C ATOM 41 NZ LYS A 3 6.643 13.052 1.212 1.00 0.00 N ATOM 42 H LYS A 3 1.380 10.247 -2.187 1.00 0.00 H ATOM 43 HA LYS A 3 4.018 11.457 -2.293 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.428 13.095 -1.946 1.00 0.00 H ATOM 45 HB3 LYS A 3 1.434 12.077 -0.927 1.00 0.00 H ATOM 46 HG2 LYS A 3 2.551 13.988 0.234 1.00 0.00 H ATOM 47 HG3 LYS A 3 2.855 12.402 0.940 1.00 0.00 H ATOM 48 HD2 LYS A 3 4.965 12.477 -0.642 1.00 0.00 H ATOM 49 HD3 LYS A 3 4.699 14.217 -0.537 1.00 0.00 H ATOM 50 HE2 LYS A 3 5.043 14.256 1.766 1.00 0.00 H ATOM 51 HE3 LYS A 3 4.766 12.523 1.932 1.00 0.00 H ATOM 52 HZ1 LYS A 3 7.171 13.689 0.685 1.00 0.00 H ATOM 53 N ASP A 4 2.970 9.971 0.467 1.00 0.00 N ATOM 54 CA ASP A 4 3.388 9.286 1.694 1.00 0.00 C ATOM 55 C ASP A 4 4.479 8.236 1.454 1.00 0.00 C ATOM 56 O ASP A 4 5.473 8.207 2.174 1.00 0.00 O ATOM 57 CB ASP A 4 2.178 8.627 2.365 1.00 0.00 C ATOM 58 CG ASP A 4 2.543 7.906 3.650 1.00 0.00 C ATOM 59 OD1 ASP A 4 3.021 8.573 4.593 1.00 0.00 O ATOM 60 OD2 ASP A 4 2.353 6.673 3.713 1.00 0.00 O ATOM 61 H ASP A 4 2.015 10.145 0.322 1.00 0.00 H ATOM 62 HA ASP A 4 3.781 10.036 2.363 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.446 9.387 2.597 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.742 7.912 1.683 1.00 0.00 H ATOM 65 N GLU A 5 4.281 7.369 0.462 1.00 0.00 N ATOM 66 CA GLU A 5 5.246 6.306 0.163 1.00 0.00 C ATOM 67 C GLU A 5 6.596 6.850 -0.319 1.00 0.00 C ATOM 68 O GLU A 5 7.643 6.327 0.058 1.00 0.00 O ATOM 69 CB GLU A 5 4.674 5.351 -0.888 1.00 0.00 C ATOM 70 CG GLU A 5 5.576 4.166 -1.197 1.00 0.00 C ATOM 71 CD GLU A 5 5.004 3.257 -2.270 1.00 0.00 C ATOM 72 OE1 GLU A 5 3.914 2.686 -2.048 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.644 3.118 -3.333 1.00 0.00 O ATOM 74 H GLU A 5 3.461 7.432 -0.072 1.00 0.00 H ATOM 75 HA GLU A 5 5.410 5.752 1.075 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.726 4.972 -0.535 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.512 5.900 -1.804 1.00 0.00 H ATOM 78 HG2 GLU A 5 6.533 4.536 -1.535 1.00 0.00 H ATOM 79 HG3 GLU A 5 5.714 3.590 -0.294 1.00 0.00 H ATOM 80 N PHE A 6 6.565 7.872 -1.175 1.00 0.00 N ATOM 81 CA PHE A 6 7.792 8.450 -1.736 1.00 0.00 C ATOM 82 C PHE A 6 8.766 8.964 -0.667 1.00 0.00 C ATOM 83 O PHE A 6 9.856 8.407 -0.506 1.00 0.00 O ATOM 84 CB PHE A 6 7.449 9.574 -2.722 1.00 0.00 C ATOM 85 CG PHE A 6 7.007 9.084 -4.078 1.00 0.00 C ATOM 86 CD1 PHE A 6 6.302 7.896 -4.217 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.300 9.818 -5.217 1.00 0.00 C ATOM 88 CE1 PHE A 6 5.901 7.453 -5.463 1.00 0.00 C ATOM 89 CE2 PHE A 6 6.902 9.378 -6.465 1.00 0.00 C ATOM 90 CZ PHE A 6 6.202 8.195 -6.587 1.00 0.00 C ATOM 91 H PHE A 6 5.696 8.230 -1.458 1.00 0.00 H ATOM 92 HA PHE A 6 8.288 7.664 -2.285 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.649 10.171 -2.310 1.00 0.00 H ATOM 94 HB3 PHE A 6 8.320 10.197 -2.861 1.00 0.00 H ATOM 95 HD1 PHE A 6 6.065 7.313 -3.340 1.00 0.00 H ATOM 96 HD2 PHE A 6 7.848 10.744 -5.124 1.00 0.00 H ATOM 97 HE1 PHE A 6 5.354 6.527 -5.557 1.00 0.00 H ATOM 98 HE2 PHE A 6 7.137 9.960 -7.344 1.00 0.00 H ATOM 99 HZ PHE A 6 5.891 7.850 -7.562 1.00 0.00 H ATOM 100 N ASP A 7 8.391 10.028 0.048 1.00 0.00 N ATOM 101 CA ASP A 7 9.272 10.599 1.075 1.00 0.00 C ATOM 102 C ASP A 7 9.500 9.648 2.252 1.00 0.00 C ATOM 103 O ASP A 7 10.593 9.618 2.811 1.00 0.00 O ATOM 104 CB ASP A 7 8.770 11.965 1.573 1.00 0.00 C ATOM 105 CG ASP A 7 7.271 12.029 1.796 1.00 0.00 C ATOM 106 OD1 ASP A 7 6.693 11.186 2.485 1.00 0.00 O ATOM 107 H ASP A 7 7.521 10.444 -0.128 1.00 0.00 H ATOM 108 HA ASP A 7 10.230 10.755 0.599 1.00 0.00 H ATOM 109 HB2 ASP A 7 9.256 12.194 2.509 1.00 0.00 H ATOM 110 HB3 ASP A 7 9.038 12.719 0.847 1.00 0.00 H ATOM 111 N LYS A 8 8.482 8.872 2.629 1.00 0.00 N ATOM 112 CA LYS A 8 8.616 7.931 3.745 1.00 0.00 C ATOM 113 C LYS A 8 9.671 6.863 3.438 1.00 0.00 C ATOM 114 O LYS A 8 10.548 6.593 4.257 1.00 0.00 O ATOM 115 CB LYS A 8 7.265 7.266 4.049 1.00 0.00 C ATOM 116 CG LYS A 8 7.299 6.208 5.151 1.00 0.00 C ATOM 117 CD LYS A 8 7.291 6.810 6.557 1.00 0.00 C ATOM 118 CE LYS A 8 8.583 7.545 6.892 1.00 0.00 C ATOM 119 NZ LYS A 8 9.765 6.706 6.695 1.00 0.00 N ATOM 120 H LYS A 8 7.630 8.929 2.149 1.00 0.00 H ATOM 121 HA LYS A 8 8.934 8.492 4.609 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.564 8.032 4.344 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.904 6.796 3.146 1.00 0.00 H ATOM 124 HG2 LYS A 8 6.432 5.574 5.046 1.00 0.00 H ATOM 125 HG3 LYS A 8 8.191 5.612 5.031 1.00 0.00 H ATOM 126 HD2 LYS A 8 6.470 7.507 6.630 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.148 6.013 7.272 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.662 8.415 6.260 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.543 7.856 7.925 1.00 0.00 H ATOM 130 HZ1 LYS A 8 9.762 6.096 5.929 1.00 0.00 H ATOM 131 N SER A 9 9.578 6.255 2.257 1.00 0.00 N ATOM 132 CA SER A 9 10.520 5.209 1.855 1.00 0.00 C ATOM 133 C SER A 9 11.967 5.712 1.823 1.00 0.00 C ATOM 134 O SER A 9 12.867 5.041 2.326 1.00 0.00 O ATOM 135 CB SER A 9 10.140 4.637 0.484 1.00 0.00 C ATOM 136 OG SER A 9 10.216 5.627 -0.529 1.00 0.00 O ATOM 137 H SER A 9 8.855 6.510 1.644 1.00 0.00 H ATOM 138 HA SER A 9 10.452 4.417 2.586 1.00 0.00 H ATOM 139 HB2 SER A 9 10.814 3.833 0.233 1.00 0.00 H ATOM 140 HB3 SER A 9 9.129 4.258 0.524 1.00 0.00 H ATOM 141 HG SER A 9 11.041 5.530 -1.011 1.00 0.00 H ATOM 142 N ILE A 10 12.190 6.877 1.214 1.00 0.00 N ATOM 143 CA ILE A 10 13.540 7.439 1.101 1.00 0.00 C ATOM 144 C ILE A 10 14.039 8.071 2.410 1.00 0.00 C ATOM 145 O ILE A 10 15.203 7.901 2.774 1.00 0.00 O ATOM 146 CB ILE A 10 13.626 8.482 -0.040 1.00 0.00 C ATOM 147 CG1 ILE A 10 15.068 8.974 -0.209 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.687 9.655 0.222 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.252 9.943 -1.358 1.00 0.00 C ATOM 150 H ILE A 10 11.436 7.361 0.815 1.00 0.00 H ATOM 151 HA ILE A 10 14.203 6.623 0.849 1.00 0.00 H ATOM 152 HB ILE A 10 13.311 8.003 -0.955 1.00 0.00 H ATOM 153 HG12 ILE A 10 15.380 9.474 0.696 1.00 0.00 H ATOM 154 HG13 ILE A 10 15.713 8.125 -0.385 1.00 0.00 H ATOM 155 HG21 ILE A 10 13.091 10.271 1.011 1.00 0.00 H ATOM 156 HG22 ILE A 10 11.718 9.282 0.516 1.00 0.00 H ATOM 157 HG23 ILE A 10 12.587 10.244 -0.678 1.00 0.00 H ATOM 158 HD11 ILE A 10 14.668 9.612 -2.205 1.00 0.00 H ATOM 159 HD12 ILE A 10 16.295 9.982 -1.633 1.00 0.00 H ATOM 160 HD13 ILE A 10 14.922 10.926 -1.057 1.00 0.00 H ATOM 161 N ARG A 11 13.171 8.815 3.097 1.00 0.00 N ATOM 162 CA ARG A 11 13.550 9.487 4.346 1.00 0.00 C ATOM 163 C ARG A 11 13.918 8.492 5.449 1.00 0.00 C ATOM 164 O ARG A 11 14.985 8.602 6.056 1.00 0.00 O ATOM 165 CB ARG A 11 12.415 10.399 4.825 1.00 0.00 C ATOM 166 CG ARG A 11 12.749 11.187 6.082 1.00 0.00 C ATOM 167 CD ARG A 11 11.595 12.085 6.500 1.00 0.00 C ATOM 168 NE ARG A 11 11.904 12.857 7.704 1.00 0.00 N ATOM 169 CZ ARG A 11 11.062 13.723 8.273 1.00 0.00 C ATOM 170 NH1 ARG A 11 9.854 13.934 7.754 1.00 0.00 N ATOM 171 NH2 ARG A 11 11.429 14.381 9.368 1.00 0.00 N ATOM 172 H ARG A 11 12.262 8.931 2.751 1.00 0.00 H ATOM 173 HA ARG A 11 14.415 10.098 4.135 1.00 0.00 H ATOM 174 HB2 ARG A 11 12.178 11.101 4.040 1.00 0.00 H ATOM 175 HB3 ARG A 11 11.544 9.792 5.028 1.00 0.00 H ATOM 176 HG2 ARG A 11 12.961 10.495 6.884 1.00 0.00 H ATOM 177 HG3 ARG A 11 13.619 11.798 5.892 1.00 0.00 H ATOM 178 HD2 ARG A 11 11.378 12.769 5.692 1.00 0.00 H ATOM 179 HD3 ARG A 11 10.728 11.469 6.691 1.00 0.00 H ATOM 180 HE ARG A 11 12.786 12.724 8.111 1.00 0.00 H ATOM 181 HH11 ARG A 11 9.569 13.444 6.931 1.00 0.00 H ATOM 182 HH12 ARG A 11 9.231 14.585 8.188 1.00 0.00 H ATOM 183 HH21 ARG A 11 12.334 14.228 9.765 1.00 0.00 H ATOM 184 HH22 ARG A 11 10.800 15.031 9.796 1.00 0.00 H ATOM 185 N ASP A 12 13.028 7.536 5.716 1.00 0.00 N ATOM 186 CA ASP A 12 13.262 6.537 6.762 1.00 0.00 C ATOM 187 C ASP A 12 14.360 5.547 6.365 1.00 0.00 C ATOM 188 O ASP A 12 15.181 5.162 7.199 1.00 0.00 O ATOM 189 CB ASP A 12 11.966 5.788 7.090 1.00 0.00 C ATOM 190 CG ASP A 12 10.840 6.731 7.480 1.00 0.00 C ATOM 191 OD1 ASP A 12 10.944 7.472 8.459 1.00 0.00 O ATOM 192 H ASP A 12 12.191 7.506 5.206 1.00 0.00 H ATOM 193 HA ASP A 12 13.587 7.066 7.646 1.00 0.00 H ATOM 194 HB2 ASP A 12 11.655 5.222 6.225 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.147 5.112 7.913 1.00 0.00 H ATOM 196 N VAL A 13 14.370 5.135 5.093 1.00 0.00 N ATOM 197 CA VAL A 13 15.370 4.187 4.601 1.00 0.00 C ATOM 198 C VAL A 13 15.794 4.510 3.165 1.00 0.00 C ATOM 199 O VAL A 13 15.338 3.880 2.210 1.00 0.00 O ATOM 200 CB VAL A 13 14.858 2.727 4.681 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.722 2.287 6.131 1.00 0.00 C ATOM 202 CG2 VAL A 13 13.528 2.572 3.950 1.00 0.00 C ATOM 203 H VAL A 13 13.689 5.474 4.474 1.00 0.00 H ATOM 204 HA VAL A 13 16.239 4.269 5.239 1.00 0.00 H ATOM 205 HB VAL A 13 15.584 2.086 4.202 1.00 0.00 H ATOM 206 HG11 VAL A 13 15.637 2.505 6.660 1.00 0.00 H ATOM 207 HG12 VAL A 13 14.528 1.225 6.168 1.00 0.00 H ATOM 208 HG13 VAL A 13 13.903 2.819 6.593 1.00 0.00 H ATOM 209 HG21 VAL A 13 13.708 2.480 2.889 1.00 0.00 H ATOM 210 HG22 VAL A 13 12.911 3.438 4.137 1.00 0.00 H ATOM 211 HG23 VAL A 13 13.023 1.687 4.307 1.00 0.00 H HETATM 212 N NH2 A 14 16.675 5.493 3.015 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.998 5.954 3.817 1.00 0.00 H HETATM 214 HN2 NH2 A 14 16.966 5.718 2.106 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 4 HETATM 1 C ACE A 1 0.191 8.177 -1.002 1.00 0.00 C HETATM 2 O ACE A 1 1.175 7.588 -0.541 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.831 8.629 -0.153 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.782 8.249 -0.502 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.850 9.707 -0.155 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.649 8.279 0.851 1.00 0.00 H HETATM 7 N ALN A 2 0.040 8.416 -2.308 1.00 0.00 N HETATM 8 CA ALN A 2 1.037 7.993 -3.292 1.00 0.00 C HETATM 9 C ALN A 2 2.418 8.539 -2.936 1.00 0.00 C HETATM 10 O ALN A 2 3.395 7.790 -2.882 1.00 0.00 O HETATM 11 CB ALN A 2 0.642 8.472 -4.692 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.507 7.908 -5.788 1.00 0.00 C HETATM 13 CD1 ALN A 2 1.335 6.592 -6.190 1.00 0.00 C HETATM 14 CE1 ALN A 2 2.117 6.058 -7.194 1.00 0.00 C HETATM 15 CD2 ALN A 2 2.478 8.696 -6.404 1.00 0.00 C HETATM 16 CE2 ALN A 2 3.261 8.157 -7.412 1.00 0.00 C HETATM 17 CZ1 ALN A 2 3.078 6.841 -7.803 1.00 0.00 C HETATM 18 CG2 ALN A 2 2.673 10.016 -6.018 1.00 0.00 C HETATM 19 CD3 ALN A 2 3.639 10.791 -6.630 1.00 0.00 C HETATM 20 CE3 ALN A 2 4.419 10.251 -7.635 1.00 0.00 C HETATM 21 CZ2 ALN A 2 4.228 8.938 -8.023 1.00 0.00 C HETATM 22 H ALN A 2 -0.762 8.888 -2.617 1.00 0.00 H HETATM 23 HA ALN A 2 1.075 6.915 -3.286 1.00 0.00 H HETATM 24 HB2 ALN A 2 -0.378 8.176 -4.889 1.00 0.00 H HETATM 25 HB3 ALN A 2 0.710 9.548 -4.729 1.00 0.00 H HETATM 26 HD1 ALN A 2 0.581 5.984 -5.712 1.00 0.00 H HETATM 27 HE1 ALN A 2 1.977 5.032 -7.504 1.00 0.00 H HETATM 28 HZ1 ALN A 2 3.692 6.428 -8.589 1.00 0.00 H HETATM 29 HG2 ALN A 2 2.064 10.438 -5.233 1.00 0.00 H HETATM 30 HD3 ALN A 2 3.785 11.816 -6.323 1.00 0.00 H HETATM 31 HE3 ALN A 2 5.175 10.854 -8.116 1.00 0.00 H HETATM 32 HZ2 ALN A 2 4.837 8.514 -8.808 1.00 0.00 H ATOM 33 N LYS A 3 2.485 9.847 -2.687 1.00 0.00 N ATOM 34 CA LYS A 3 3.741 10.498 -2.326 1.00 0.00 C ATOM 35 C LYS A 3 4.230 10.013 -0.969 1.00 0.00 C ATOM 36 O LYS A 3 5.415 9.739 -0.793 1.00 0.00 O ATOM 37 CB LYS A 3 3.579 12.012 -2.273 1.00 0.00 C ATOM 38 CG LYS A 3 4.906 12.733 -2.107 1.00 0.00 C ATOM 39 CD LYS A 3 4.783 13.953 -1.213 1.00 0.00 C ATOM 40 CE LYS A 3 6.101 14.249 -0.513 1.00 0.00 C ATOM 41 NZ LYS A 3 6.543 13.121 0.313 1.00 0.00 N ATOM 42 H LYS A 3 1.667 10.385 -2.743 1.00 0.00 H ATOM 43 HA LYS A 3 4.476 10.247 -3.076 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.111 12.345 -3.182 1.00 0.00 H ATOM 45 HB3 LYS A 3 2.946 12.267 -1.436 1.00 0.00 H ATOM 46 HG2 LYS A 3 5.621 12.052 -1.671 1.00 0.00 H ATOM 47 HG3 LYS A 3 5.256 13.046 -3.081 1.00 0.00 H ATOM 48 HD2 LYS A 3 4.508 14.805 -1.817 1.00 0.00 H ATOM 49 HD3 LYS A 3 4.021 13.772 -0.470 1.00 0.00 H ATOM 50 HE2 LYS A 3 6.854 14.456 -1.259 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.972 15.117 0.118 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.882 12.713 0.911 1.00 0.00 H ATOM 53 N ASP A 4 3.304 9.927 -0.013 1.00 0.00 N ATOM 54 CA ASP A 4 3.625 9.483 1.348 1.00 0.00 C ATOM 55 C ASP A 4 4.567 8.281 1.323 1.00 0.00 C ATOM 56 O ASP A 4 5.545 8.236 2.070 1.00 0.00 O ATOM 57 CB ASP A 4 2.345 9.129 2.117 1.00 0.00 C ATOM 58 CG ASP A 4 1.436 10.328 2.329 1.00 0.00 C ATOM 59 OD1 ASP A 4 0.934 10.882 1.327 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.226 10.713 3.498 1.00 0.00 O ATOM 61 H ASP A 4 2.381 10.180 -0.229 1.00 0.00 H ATOM 62 HA ASP A 4 4.121 10.300 1.851 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.797 8.382 1.563 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.614 8.728 3.083 1.00 0.00 H ATOM 65 N GLU A 5 4.278 7.320 0.444 1.00 0.00 N ATOM 66 CA GLU A 5 5.115 6.129 0.307 1.00 0.00 C ATOM 67 C GLU A 5 6.487 6.490 -0.271 1.00 0.00 C ATOM 68 O GLU A 5 7.514 6.012 0.208 1.00 0.00 O ATOM 69 CB GLU A 5 4.425 5.092 -0.586 1.00 0.00 C ATOM 70 CG GLU A 5 5.255 3.839 -0.827 1.00 0.00 C ATOM 71 CD GLU A 5 5.653 3.137 0.459 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.751 2.670 1.187 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.868 3.059 0.739 1.00 0.00 O ATOM 74 H GLU A 5 3.491 7.420 -0.135 1.00 0.00 H ATOM 75 HA GLU A 5 5.254 5.708 1.292 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.495 4.797 -0.122 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.211 5.545 -1.543 1.00 0.00 H ATOM 78 HG2 GLU A 5 4.678 3.152 -1.429 1.00 0.00 H ATOM 79 HG3 GLU A 5 6.152 4.115 -1.362 1.00 0.00 H ATOM 80 N PHE A 6 6.487 7.336 -1.306 1.00 0.00 N ATOM 81 CA PHE A 6 7.721 7.770 -1.966 1.00 0.00 C ATOM 82 C PHE A 6 8.643 8.532 -1.004 1.00 0.00 C ATOM 83 O PHE A 6 9.824 8.191 -0.869 1.00 0.00 O ATOM 84 CB PHE A 6 7.377 8.643 -3.181 1.00 0.00 C ATOM 85 CG PHE A 6 8.573 9.147 -3.944 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.659 8.321 -4.192 1.00 0.00 C ATOM 87 CD2 PHE A 6 8.606 10.450 -4.419 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.753 8.784 -4.897 1.00 0.00 C ATOM 89 CE2 PHE A 6 9.698 10.918 -5.123 1.00 0.00 C ATOM 90 CZ PHE A 6 10.773 10.084 -5.363 1.00 0.00 C ATOM 91 H PHE A 6 5.630 7.676 -1.639 1.00 0.00 H ATOM 92 HA PHE A 6 8.236 6.886 -2.310 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.769 8.069 -3.863 1.00 0.00 H ATOM 94 HB3 PHE A 6 6.811 9.501 -2.845 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.644 7.304 -3.830 1.00 0.00 H ATOM 96 HD2 PHE A 6 7.765 11.103 -4.233 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.593 8.131 -5.083 1.00 0.00 H ATOM 98 HE2 PHE A 6 9.711 11.935 -5.487 1.00 0.00 H ATOM 99 HZ PHE A 6 11.628 10.448 -5.913 1.00 0.00 H ATOM 100 N ASP A 7 8.104 9.561 -0.336 1.00 0.00 N ATOM 101 CA ASP A 7 8.895 10.356 0.606 1.00 0.00 C ATOM 102 C ASP A 7 9.506 9.476 1.693 1.00 0.00 C ATOM 103 O ASP A 7 10.702 9.567 1.959 1.00 0.00 O ATOM 104 CB ASP A 7 8.058 11.470 1.250 1.00 0.00 C ATOM 105 CG ASP A 7 7.786 12.634 0.308 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.686 13.102 -0.393 1.00 0.00 O ATOM 107 H ASP A 7 7.161 9.787 -0.481 1.00 0.00 H ATOM 108 HA ASP A 7 9.700 10.810 0.046 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.111 11.061 1.566 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.585 11.849 2.115 1.00 0.00 H ATOM 111 N LYS A 8 8.690 8.618 2.311 1.00 0.00 N ATOM 112 CA LYS A 8 9.183 7.723 3.358 1.00 0.00 C ATOM 113 C LYS A 8 10.197 6.730 2.795 1.00 0.00 C ATOM 114 O LYS A 8 11.224 6.468 3.414 1.00 0.00 O ATOM 115 CB LYS A 8 8.036 6.972 4.040 1.00 0.00 C ATOM 116 CG LYS A 8 7.132 7.868 4.876 1.00 0.00 C ATOM 117 CD LYS A 8 6.508 7.116 6.047 1.00 0.00 C ATOM 118 CE LYS A 8 7.430 7.078 7.264 1.00 0.00 C ATOM 119 NZ LYS A 8 8.682 6.365 7.007 1.00 0.00 N ATOM 120 H LYS A 8 7.744 8.581 2.053 1.00 0.00 H ATOM 121 HA LYS A 8 9.682 8.335 4.094 1.00 0.00 H ATOM 122 HB2 LYS A 8 7.432 6.499 3.280 1.00 0.00 H ATOM 123 HB3 LYS A 8 8.450 6.211 4.681 1.00 0.00 H ATOM 124 HG2 LYS A 8 7.714 8.691 5.261 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.342 8.251 4.246 1.00 0.00 H ATOM 126 HD2 LYS A 8 5.587 7.606 6.325 1.00 0.00 H ATOM 127 HD3 LYS A 8 6.297 6.103 5.737 1.00 0.00 H ATOM 128 HE2 LYS A 8 7.662 8.093 7.554 1.00 0.00 H ATOM 129 HE3 LYS A 8 6.910 6.588 8.074 1.00 0.00 H ATOM 130 HZ1 LYS A 8 8.690 5.397 7.162 1.00 0.00 H ATOM 131 N SER A 9 9.907 6.188 1.612 1.00 0.00 N ATOM 132 CA SER A 9 10.805 5.233 0.963 1.00 0.00 C ATOM 133 C SER A 9 12.245 5.752 0.966 1.00 0.00 C ATOM 134 O SER A 9 13.188 4.980 1.141 1.00 0.00 O ATOM 135 CB SER A 9 10.347 4.956 -0.473 1.00 0.00 C ATOM 136 OG SER A 9 11.177 3.993 -1.100 1.00 0.00 O ATOM 137 H SER A 9 9.073 6.440 1.163 1.00 0.00 H ATOM 138 HA SER A 9 10.769 4.312 1.526 1.00 0.00 H ATOM 139 HB2 SER A 9 9.334 4.583 -0.459 1.00 0.00 H ATOM 140 HB3 SER A 9 10.385 5.872 -1.043 1.00 0.00 H ATOM 141 HG SER A 9 10.773 3.124 -1.027 1.00 0.00 H ATOM 142 N ILE A 10 12.407 7.065 0.775 1.00 0.00 N ATOM 143 CA ILE A 10 13.736 7.681 0.762 1.00 0.00 C ATOM 144 C ILE A 10 14.118 8.256 2.135 1.00 0.00 C ATOM 145 O ILE A 10 15.242 8.067 2.600 1.00 0.00 O ATOM 146 CB ILE A 10 13.827 8.805 -0.297 1.00 0.00 C ATOM 147 CG1 ILE A 10 13.484 8.264 -1.690 1.00 0.00 C ATOM 148 CG2 ILE A 10 15.214 9.435 -0.296 1.00 0.00 C ATOM 149 CD1 ILE A 10 14.354 7.103 -2.125 1.00 0.00 C ATOM 150 H ILE A 10 11.616 7.632 0.639 1.00 0.00 H ATOM 151 HA ILE A 10 14.451 6.915 0.498 1.00 0.00 H ATOM 152 HB ILE A 10 13.114 9.572 -0.033 1.00 0.00 H ATOM 153 HG12 ILE A 10 12.458 7.929 -1.697 1.00 0.00 H ATOM 154 HG13 ILE A 10 13.603 9.057 -2.414 1.00 0.00 H ATOM 155 HG21 ILE A 10 15.332 10.043 0.588 1.00 0.00 H ATOM 156 HG22 ILE A 10 15.330 10.051 -1.175 1.00 0.00 H ATOM 157 HG23 ILE A 10 15.963 8.656 -0.301 1.00 0.00 H ATOM 158 HD11 ILE A 10 14.124 6.845 -3.149 1.00 0.00 H ATOM 159 HD12 ILE A 10 14.164 6.252 -1.488 1.00 0.00 H ATOM 160 HD13 ILE A 10 15.394 7.384 -2.049 1.00 0.00 H ATOM 161 N ARG A 11 13.184 8.976 2.763 1.00 0.00 N ATOM 162 CA ARG A 11 13.425 9.603 4.069 1.00 0.00 C ATOM 163 C ARG A 11 13.486 8.582 5.211 1.00 0.00 C ATOM 164 O ARG A 11 14.469 8.533 5.952 1.00 0.00 O ATOM 165 CB ARG A 11 12.328 10.633 4.366 1.00 0.00 C ATOM 166 CG ARG A 11 12.301 11.805 3.395 1.00 0.00 C ATOM 167 CD ARG A 11 11.070 12.678 3.608 1.00 0.00 C ATOM 168 NE ARG A 11 10.956 13.161 4.986 1.00 0.00 N ATOM 169 CZ ARG A 11 11.798 14.032 5.555 1.00 0.00 C ATOM 170 NH1 ARG A 11 12.799 14.564 4.858 1.00 0.00 N ATOM 171 NH2 ARG A 11 11.628 14.381 6.826 1.00 0.00 N ATOM 172 H ARG A 11 12.314 9.104 2.330 1.00 0.00 H ATOM 173 HA ARG A 11 14.373 10.116 4.015 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.368 10.139 4.326 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.480 11.023 5.361 1.00 0.00 H ATOM 176 HG2 ARG A 11 13.186 12.404 3.544 1.00 0.00 H ATOM 177 HG3 ARG A 11 12.289 11.422 2.384 1.00 0.00 H ATOM 178 HD2 ARG A 11 11.131 13.528 2.945 1.00 0.00 H ATOM 179 HD3 ARG A 11 10.191 12.099 3.366 1.00 0.00 H ATOM 180 HE ARG A 11 10.217 12.807 5.525 1.00 0.00 H ATOM 181 HH11 ARG A 11 12.931 14.317 3.898 1.00 0.00 H ATOM 182 HH12 ARG A 11 13.421 15.215 5.294 1.00 0.00 H ATOM 183 HH21 ARG A 11 10.873 13.994 7.355 1.00 0.00 H ATOM 184 HH22 ARG A 11 12.254 15.033 7.254 1.00 0.00 H ATOM 185 N ASP A 12 12.422 7.788 5.358 1.00 0.00 N ATOM 186 CA ASP A 12 12.334 6.782 6.424 1.00 0.00 C ATOM 187 C ASP A 12 13.484 5.776 6.358 1.00 0.00 C ATOM 188 O ASP A 12 14.228 5.617 7.327 1.00 0.00 O ATOM 189 CB ASP A 12 10.992 6.040 6.343 1.00 0.00 C ATOM 190 CG ASP A 12 9.796 6.952 6.567 1.00 0.00 C ATOM 191 OD1 ASP A 12 9.865 8.159 6.325 1.00 0.00 O ATOM 192 H ASP A 12 11.667 7.892 4.742 1.00 0.00 H ATOM 193 HA ASP A 12 12.385 7.302 7.369 1.00 0.00 H ATOM 194 HB2 ASP A 12 10.896 5.587 5.369 1.00 0.00 H ATOM 195 HB3 ASP A 12 10.974 5.266 7.096 1.00 0.00 H ATOM 196 N VAL A 13 13.623 5.099 5.218 1.00 0.00 N ATOM 197 CA VAL A 13 14.684 4.106 5.039 1.00 0.00 C ATOM 198 C VAL A 13 15.770 4.602 4.080 1.00 0.00 C ATOM 199 O VAL A 13 16.959 4.383 4.311 1.00 0.00 O ATOM 200 CB VAL A 13 14.128 2.753 4.537 1.00 0.00 C ATOM 201 CG1 VAL A 13 13.182 2.148 5.565 1.00 0.00 C ATOM 202 CG2 VAL A 13 13.430 2.909 3.192 1.00 0.00 C ATOM 203 H VAL A 13 12.997 5.267 4.482 1.00 0.00 H ATOM 204 HA VAL A 13 15.137 3.938 6.006 1.00 0.00 H ATOM 205 HB VAL A 13 14.959 2.074 4.408 1.00 0.00 H ATOM 206 HG11 VAL A 13 12.857 1.175 5.226 1.00 0.00 H ATOM 207 HG12 VAL A 13 12.323 2.791 5.687 1.00 0.00 H ATOM 208 HG13 VAL A 13 13.693 2.047 6.511 1.00 0.00 H ATOM 209 HG21 VAL A 13 12.697 3.699 3.255 1.00 0.00 H ATOM 210 HG22 VAL A 13 12.939 1.983 2.931 1.00 0.00 H ATOM 211 HG23 VAL A 13 14.159 3.155 2.434 1.00 0.00 H HETATM 212 N NH2 A 14 15.366 5.274 3.005 1.00 0.00 N HETATM 213 HN1 NH2 A 14 14.405 5.415 2.878 1.00 0.00 H HETATM 214 HN2 NH2 A 14 16.048 5.601 2.383 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 5 HETATM 1 C ACE A 1 0.829 7.116 -1.910 1.00 0.00 C HETATM 2 O ACE A 1 1.626 7.127 -0.972 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.548 7.237 -1.674 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.939 8.070 -2.242 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.721 7.406 -0.622 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.048 6.329 -1.975 1.00 0.00 H HETATM 7 N ALN A 2 1.215 6.992 -3.182 1.00 0.00 N HETATM 8 CA ALN A 2 2.625 6.857 -3.555 1.00 0.00 C HETATM 9 C ALN A 2 3.435 8.086 -3.134 1.00 0.00 C HETATM 10 O ALN A 2 4.601 7.964 -2.756 1.00 0.00 O HETATM 11 CB ALN A 2 2.761 6.604 -5.069 1.00 0.00 C HETATM 12 CG1 ALN A 2 2.259 7.728 -5.945 1.00 0.00 C HETATM 13 CD1 ALN A 2 0.969 7.675 -6.448 1.00 0.00 C HETATM 14 CE1 ALN A 2 0.485 8.691 -7.248 1.00 0.00 C HETATM 15 CD2 ALN A 2 3.073 8.819 -6.252 1.00 0.00 C HETATM 16 CE2 ALN A 2 2.584 9.838 -7.054 1.00 0.00 C HETATM 17 CZ1 ALN A 2 1.293 9.769 -7.548 1.00 0.00 C HETATM 18 CG2 ALN A 2 4.372 8.899 -5.767 1.00 0.00 C HETATM 19 CD3 ALN A 2 5.173 9.983 -6.075 1.00 0.00 C HETATM 20 CE3 ALN A 2 4.681 10.998 -6.873 1.00 0.00 C HETATM 21 CZ2 ALN A 2 3.390 10.923 -7.360 1.00 0.00 C HETATM 22 H ALN A 2 0.535 6.990 -3.889 1.00 0.00 H HETATM 23 HA ALN A 2 3.015 6.000 -3.028 1.00 0.00 H HETATM 24 HB2 ALN A 2 3.803 6.445 -5.305 1.00 0.00 H HETATM 25 HB3 ALN A 2 2.205 5.713 -5.324 1.00 0.00 H HETATM 26 HD1 ALN A 2 0.341 6.829 -6.212 1.00 0.00 H HETATM 27 HE1 ALN A 2 -0.521 8.642 -7.636 1.00 0.00 H HETATM 28 HZ1 ALN A 2 0.919 10.567 -8.171 1.00 0.00 H HETATM 29 HG2 ALN A 2 4.757 8.107 -5.144 1.00 0.00 H HETATM 30 HD3 ALN A 2 6.182 10.036 -5.693 1.00 0.00 H HETATM 31 HE3 ALN A 2 5.303 11.847 -7.115 1.00 0.00 H HETATM 32 HZ2 ALN A 2 3.002 11.715 -7.984 1.00 0.00 H ATOM 33 N LYS A 3 2.816 9.269 -3.208 1.00 0.00 N ATOM 34 CA LYS A 3 3.488 10.516 -2.840 1.00 0.00 C ATOM 35 C LYS A 3 3.977 10.463 -1.391 1.00 0.00 C ATOM 36 O LYS A 3 5.182 10.460 -1.140 1.00 0.00 O ATOM 37 CB LYS A 3 2.535 11.709 -3.045 1.00 0.00 C ATOM 38 CG LYS A 3 3.200 13.084 -2.971 1.00 0.00 C ATOM 39 CD LYS A 3 3.733 13.396 -1.578 1.00 0.00 C ATOM 40 CE LYS A 3 5.250 13.512 -1.577 1.00 0.00 C ATOM 41 NZ LYS A 3 5.850 12.891 -0.398 1.00 0.00 N ATOM 42 H LYS A 3 1.888 9.303 -3.522 1.00 0.00 H ATOM 43 HA LYS A 3 4.342 10.634 -3.490 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.073 11.615 -4.016 1.00 0.00 H ATOM 45 HB3 LYS A 3 1.764 11.668 -2.290 1.00 0.00 H ATOM 46 HG2 LYS A 3 4.021 13.111 -3.670 1.00 0.00 H ATOM 47 HG3 LYS A 3 2.473 13.836 -3.242 1.00 0.00 H ATOM 48 HD2 LYS A 3 3.313 14.333 -1.246 1.00 0.00 H ATOM 49 HD3 LYS A 3 3.438 12.610 -0.901 1.00 0.00 H ATOM 50 HE2 LYS A 3 5.637 13.029 -2.462 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.517 14.559 -1.594 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.245 12.523 0.279 1.00 0.00 H ATOM 53 N ASP A 4 3.035 10.420 -0.444 1.00 0.00 N ATOM 54 CA ASP A 4 3.367 10.376 0.984 1.00 0.00 C ATOM 55 C ASP A 4 4.248 9.174 1.336 1.00 0.00 C ATOM 56 O ASP A 4 5.145 9.282 2.178 1.00 0.00 O ATOM 57 CB ASP A 4 2.084 10.372 1.831 1.00 0.00 C ATOM 58 CG ASP A 4 1.147 9.220 1.498 1.00 0.00 C ATOM 59 OD1 ASP A 4 1.462 8.067 1.860 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.101 9.474 0.865 1.00 0.00 O ATOM 61 H ASP A 4 2.092 10.425 -0.711 1.00 0.00 H ATOM 62 HA ASP A 4 3.920 11.276 1.211 1.00 0.00 H ATOM 63 HB2 ASP A 4 2.352 10.298 2.874 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.554 11.299 1.668 1.00 0.00 H ATOM 65 N GLU A 5 3.986 8.031 0.699 1.00 0.00 N ATOM 66 CA GLU A 5 4.752 6.813 0.956 1.00 0.00 C ATOM 67 C GLU A 5 6.214 6.974 0.534 1.00 0.00 C ATOM 68 O GLU A 5 7.121 6.579 1.267 1.00 0.00 O ATOM 69 CB GLU A 5 4.119 5.622 0.224 1.00 0.00 C ATOM 70 CG GLU A 5 4.756 4.277 0.564 1.00 0.00 C ATOM 71 CD GLU A 5 4.551 3.848 2.013 1.00 0.00 C ATOM 72 OE1 GLU A 5 3.826 4.547 2.756 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.112 2.802 2.400 1.00 0.00 O ATOM 74 H GLU A 5 3.257 8.006 0.043 1.00 0.00 H ATOM 75 HA GLU A 5 4.719 6.626 2.018 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.071 5.573 0.480 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.213 5.779 -0.840 1.00 0.00 H ATOM 78 HG2 GLU A 5 4.325 3.522 -0.076 1.00 0.00 H ATOM 79 HG3 GLU A 5 5.817 4.341 0.372 1.00 0.00 H ATOM 80 N PHE A 6 6.431 7.551 -0.651 1.00 0.00 N ATOM 81 CA PHE A 6 7.781 7.762 -1.179 1.00 0.00 C ATOM 82 C PHE A 6 8.563 8.775 -0.339 1.00 0.00 C ATOM 83 O PHE A 6 9.730 8.546 -0.017 1.00 0.00 O ATOM 84 CB PHE A 6 7.715 8.232 -2.637 1.00 0.00 C ATOM 85 CG PHE A 6 9.065 8.433 -3.275 1.00 0.00 C ATOM 86 CD1 PHE A 6 10.070 7.487 -3.126 1.00 0.00 C ATOM 87 CD2 PHE A 6 9.329 9.570 -4.022 1.00 0.00 C ATOM 88 CE1 PHE A 6 11.308 7.673 -3.710 1.00 0.00 C ATOM 89 CE2 PHE A 6 10.565 9.761 -4.608 1.00 0.00 C ATOM 90 CZ PHE A 6 11.556 8.811 -4.452 1.00 0.00 C ATOM 91 H PHE A 6 5.663 7.840 -1.187 1.00 0.00 H ATOM 92 HA PHE A 6 8.298 6.814 -1.143 1.00 0.00 H ATOM 93 HB2 PHE A 6 7.181 7.497 -3.220 1.00 0.00 H ATOM 94 HB3 PHE A 6 7.184 9.171 -2.679 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.877 6.596 -2.546 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.555 10.314 -4.145 1.00 0.00 H ATOM 97 HE1 PHE A 6 12.081 6.929 -3.586 1.00 0.00 H ATOM 98 HE2 PHE A 6 10.757 10.651 -5.189 1.00 0.00 H ATOM 99 HZ PHE A 6 12.523 8.958 -4.910 1.00 0.00 H ATOM 100 N ASP A 7 7.920 9.896 0.005 1.00 0.00 N ATOM 101 CA ASP A 7 8.569 10.941 0.802 1.00 0.00 C ATOM 102 C ASP A 7 9.106 10.380 2.118 1.00 0.00 C ATOM 103 O ASP A 7 10.215 10.717 2.530 1.00 0.00 O ATOM 104 CB ASP A 7 7.606 12.102 1.073 1.00 0.00 C ATOM 105 CG ASP A 7 7.163 12.792 -0.206 1.00 0.00 C ATOM 106 OD1 ASP A 7 7.993 13.222 -1.009 1.00 0.00 O ATOM 107 H ASP A 7 6.993 10.025 -0.285 1.00 0.00 H ATOM 108 HA ASP A 7 9.404 11.314 0.226 1.00 0.00 H ATOM 109 HB2 ASP A 7 6.730 11.725 1.579 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.096 12.831 1.703 1.00 0.00 H ATOM 111 N LYS A 8 8.325 9.516 2.771 1.00 0.00 N ATOM 112 CA LYS A 8 8.749 8.907 4.032 1.00 0.00 C ATOM 113 C LYS A 8 9.760 7.784 3.767 1.00 0.00 C ATOM 114 O LYS A 8 10.806 7.715 4.412 1.00 0.00 O ATOM 115 CB LYS A 8 7.536 8.350 4.794 1.00 0.00 C ATOM 116 CG LYS A 8 7.734 8.244 6.307 1.00 0.00 C ATOM 117 CD LYS A 8 8.969 7.433 6.678 1.00 0.00 C ATOM 118 CE LYS A 8 8.881 5.992 6.189 1.00 0.00 C ATOM 119 NZ LYS A 8 10.204 5.410 5.955 1.00 0.00 N ATOM 120 H LYS A 8 7.452 9.276 2.392 1.00 0.00 H ATOM 121 HA LYS A 8 9.222 9.672 4.630 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.688 8.992 4.612 1.00 0.00 H ATOM 123 HB3 LYS A 8 7.314 7.364 4.415 1.00 0.00 H ATOM 124 HG2 LYS A 8 7.840 9.238 6.713 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.863 7.772 6.739 1.00 0.00 H ATOM 126 HD2 LYS A 8 9.837 7.897 6.241 1.00 0.00 H ATOM 127 HD3 LYS A 8 9.070 7.429 7.753 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.366 5.403 6.934 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.321 5.971 5.266 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.340 4.934 5.110 1.00 0.00 H ATOM 131 N SER A 9 9.427 6.906 2.813 1.00 0.00 N ATOM 132 CA SER A 9 10.282 5.768 2.451 1.00 0.00 C ATOM 133 C SER A 9 11.743 6.180 2.253 1.00 0.00 C ATOM 134 O SER A 9 12.644 5.559 2.818 1.00 0.00 O ATOM 135 CB SER A 9 9.754 5.098 1.178 1.00 0.00 C ATOM 136 OG SER A 9 10.564 3.996 0.803 1.00 0.00 O ATOM 137 H SER A 9 8.575 7.021 2.344 1.00 0.00 H ATOM 138 HA SER A 9 10.233 5.055 3.259 1.00 0.00 H ATOM 139 HB2 SER A 9 8.749 4.745 1.352 1.00 0.00 H ATOM 140 HB3 SER A 9 9.748 5.817 0.373 1.00 0.00 H ATOM 141 HG SER A 9 11.063 4.220 0.014 1.00 0.00 H ATOM 142 N ILE A 10 11.971 7.226 1.454 1.00 0.00 N ATOM 143 CA ILE A 10 13.327 7.713 1.190 1.00 0.00 C ATOM 144 C ILE A 10 14.016 8.137 2.493 1.00 0.00 C ATOM 145 O ILE A 10 15.202 7.868 2.691 1.00 0.00 O ATOM 146 CB ILE A 10 13.315 8.886 0.172 1.00 0.00 C ATOM 147 CG1 ILE A 10 14.739 9.254 -0.280 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.606 10.102 0.752 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.571 9.966 0.769 1.00 0.00 C ATOM 150 H ILE A 10 11.211 7.680 1.034 1.00 0.00 H ATOM 151 HA ILE A 10 13.888 6.897 0.755 1.00 0.00 H ATOM 152 HB ILE A 10 12.752 8.563 -0.692 1.00 0.00 H ATOM 153 HG12 ILE A 10 15.263 8.351 -0.553 1.00 0.00 H ATOM 154 HG13 ILE A 10 14.675 9.898 -1.145 1.00 0.00 H ATOM 155 HG21 ILE A 10 11.685 9.790 1.219 1.00 0.00 H ATOM 156 HG22 ILE A 10 12.388 10.804 -0.039 1.00 0.00 H ATOM 157 HG23 ILE A 10 13.241 10.573 1.488 1.00 0.00 H ATOM 158 HD11 ILE A 10 16.331 9.295 1.142 1.00 0.00 H ATOM 159 HD12 ILE A 10 14.937 10.280 1.584 1.00 0.00 H ATOM 160 HD13 ILE A 10 16.042 10.831 0.326 1.00 0.00 H ATOM 161 N ARG A 11 13.257 8.784 3.384 1.00 0.00 N ATOM 162 CA ARG A 11 13.781 9.232 4.676 1.00 0.00 C ATOM 163 C ARG A 11 14.225 8.041 5.532 1.00 0.00 C ATOM 164 O ARG A 11 15.290 8.080 6.150 1.00 0.00 O ATOM 165 CB ARG A 11 12.721 10.047 5.426 1.00 0.00 C ATOM 166 CG ARG A 11 12.264 11.288 4.675 1.00 0.00 C ATOM 167 CD ARG A 11 11.053 11.934 5.336 1.00 0.00 C ATOM 168 NE ARG A 11 11.342 12.395 6.695 1.00 0.00 N ATOM 169 CZ ARG A 11 12.167 13.405 6.986 1.00 0.00 C ATOM 170 NH1 ARG A 11 12.740 14.115 6.017 1.00 0.00 N ATOM 171 NH2 ARG A 11 12.405 13.720 8.255 1.00 0.00 N ATOM 172 H ARG A 11 12.316 8.955 3.171 1.00 0.00 H ATOM 173 HA ARG A 11 14.638 9.861 4.486 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.859 9.421 5.602 1.00 0.00 H ATOM 175 HB3 ARG A 11 13.128 10.358 6.376 1.00 0.00 H ATOM 176 HG2 ARG A 11 13.074 12.001 4.655 1.00 0.00 H ATOM 177 HG3 ARG A 11 12.006 11.009 3.664 1.00 0.00 H ATOM 178 HD2 ARG A 11 10.743 12.778 4.739 1.00 0.00 H ATOM 179 HD3 ARG A 11 10.253 11.209 5.375 1.00 0.00 H ATOM 180 HE ARG A 11 10.910 11.916 7.433 1.00 0.00 H ATOM 181 HH11 ARG A 11 12.555 13.899 5.059 1.00 0.00 H ATOM 182 HH12 ARG A 11 13.357 14.868 6.247 1.00 0.00 H ATOM 183 HH21 ARG A 11 11.966 13.203 8.990 1.00 0.00 H ATOM 184 HH22 ARG A 11 13.024 14.474 8.476 1.00 0.00 H ATOM 185 N ASP A 12 13.401 6.985 5.562 1.00 0.00 N ATOM 186 CA ASP A 12 13.711 5.783 6.343 1.00 0.00 C ATOM 187 C ASP A 12 14.933 5.065 5.771 1.00 0.00 C ATOM 188 O ASP A 12 15.873 4.746 6.501 1.00 0.00 O ATOM 189 CB ASP A 12 12.515 4.821 6.364 1.00 0.00 C ATOM 190 CG ASP A 12 11.226 5.490 6.810 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.156 6.066 7.898 1.00 0.00 O ATOM 192 H ASP A 12 12.567 7.016 5.046 1.00 0.00 H ATOM 193 HA ASP A 12 13.932 6.092 7.354 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.364 4.426 5.372 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.730 4.007 7.041 1.00 0.00 H ATOM 196 N VAL A 13 14.911 4.818 4.458 1.00 0.00 N ATOM 197 CA VAL A 13 16.014 4.142 3.781 1.00 0.00 C ATOM 198 C VAL A 13 16.652 5.059 2.730 1.00 0.00 C ATOM 199 O VAL A 13 16.420 4.912 1.529 1.00 0.00 O ATOM 200 CB VAL A 13 15.552 2.812 3.130 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.417 3.041 2.139 1.00 0.00 C ATOM 202 CG2 VAL A 13 16.723 2.102 2.460 1.00 0.00 C ATOM 203 H VAL A 13 14.133 5.101 3.933 1.00 0.00 H ATOM 204 HA VAL A 13 16.761 3.907 4.527 1.00 0.00 H ATOM 205 HB VAL A 13 15.180 2.170 3.915 1.00 0.00 H ATOM 206 HG11 VAL A 13 13.482 2.741 2.588 1.00 0.00 H ATOM 207 HG12 VAL A 13 14.592 2.455 1.248 1.00 0.00 H ATOM 208 HG13 VAL A 13 14.370 4.087 1.877 1.00 0.00 H ATOM 209 HG21 VAL A 13 16.772 2.389 1.420 1.00 0.00 H ATOM 210 HG22 VAL A 13 16.584 1.033 2.531 1.00 0.00 H ATOM 211 HG23 VAL A 13 17.643 2.378 2.954 1.00 0.00 H HETATM 212 N NH2 A 14 17.452 6.017 3.189 1.00 0.00 N HETATM 213 HN1 NH2 A 14 17.595 6.078 4.157 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.866 6.623 2.540 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 6 HETATM 1 C ACE A 1 0.427 7.713 -1.869 1.00 0.00 C HETATM 2 O ACE A 1 1.184 7.571 -0.905 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.878 8.189 -1.683 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.992 9.134 -2.197 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.067 8.326 -0.630 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.584 7.476 -2.079 1.00 0.00 H HETATM 7 N ALN A 2 0.796 7.428 -3.121 1.00 0.00 N HETATM 8 CA ALN A 2 2.133 6.925 -3.435 1.00 0.00 C HETATM 9 C ALN A 2 3.210 7.924 -3.018 1.00 0.00 C HETATM 10 O ALN A 2 4.237 7.536 -2.462 1.00 0.00 O HETATM 11 CB ALN A 2 2.268 6.628 -4.932 1.00 0.00 C HETATM 12 CG1 ALN A 2 3.581 5.981 -5.295 1.00 0.00 C HETATM 13 CD1 ALN A 2 3.904 4.744 -4.757 1.00 0.00 C HETATM 14 CE1 ALN A 2 5.101 4.132 -5.070 1.00 0.00 C HETATM 15 CD2 ALN A 2 4.477 6.610 -6.159 1.00 0.00 C HETATM 16 CE2 ALN A 2 5.679 5.993 -6.471 1.00 0.00 C HETATM 17 CZ1 ALN A 2 5.985 4.758 -5.925 1.00 0.00 C HETATM 18 CG2 ALN A 2 4.183 7.850 -6.713 1.00 0.00 C HETATM 19 CD3 ALN A 2 5.078 8.467 -7.567 1.00 0.00 C HETATM 20 CE3 ALN A 2 6.275 7.848 -7.875 1.00 0.00 C HETATM 21 CZ2 ALN A 2 6.571 6.616 -7.328 1.00 0.00 C HETATM 22 H ALN A 2 0.153 7.561 -3.851 1.00 0.00 H HETATM 23 HA ALN A 2 2.278 6.010 -2.883 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.474 5.959 -5.231 1.00 0.00 H HETATM 25 HB3 ALN A 2 2.181 7.550 -5.483 1.00 0.00 H HETATM 26 HD1 ALN A 2 3.209 4.258 -4.088 1.00 0.00 H HETATM 27 HE1 ALN A 2 5.345 3.169 -4.648 1.00 0.00 H HETATM 28 HZ1 ALN A 2 6.923 4.284 -6.174 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.249 8.334 -6.473 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.843 9.431 -7.992 1.00 0.00 H HETATM 31 HE3 ALN A 2 6.976 8.327 -8.542 1.00 0.00 H HETATM 32 HZ2 ALN A 2 7.506 6.130 -7.567 1.00 0.00 H ATOM 33 N LYS A 3 2.968 9.207 -3.294 1.00 0.00 N ATOM 34 CA LYS A 3 3.918 10.265 -2.951 1.00 0.00 C ATOM 35 C LYS A 3 4.231 10.246 -1.459 1.00 0.00 C ATOM 36 O LYS A 3 5.397 10.234 -1.062 1.00 0.00 O ATOM 37 CB LYS A 3 3.359 11.635 -3.352 1.00 0.00 C ATOM 38 CG LYS A 3 4.356 12.776 -3.194 1.00 0.00 C ATOM 39 CD LYS A 3 4.460 13.235 -1.746 1.00 0.00 C ATOM 40 CE LYS A 3 5.876 13.661 -1.392 1.00 0.00 C ATOM 41 NZ LYS A 3 6.402 12.894 -0.263 1.00 0.00 N ATOM 42 H LYS A 3 2.130 9.447 -3.743 1.00 0.00 H ATOM 43 HA LYS A 3 4.830 10.083 -3.500 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.046 11.593 -4.380 1.00 0.00 H ATOM 45 HB3 LYS A 3 2.499 11.851 -2.735 1.00 0.00 H ATOM 46 HG2 LYS A 3 5.327 12.440 -3.525 1.00 0.00 H ATOM 47 HG3 LYS A 3 4.034 13.607 -3.804 1.00 0.00 H ATOM 48 HD2 LYS A 3 3.798 14.075 -1.600 1.00 0.00 H ATOM 49 HD3 LYS A 3 4.163 12.428 -1.097 1.00 0.00 H ATOM 50 HE2 LYS A 3 6.513 13.507 -2.250 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.869 14.709 -1.131 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.764 12.609 0.425 1.00 0.00 H ATOM 53 N ASP A 4 3.178 10.240 -0.642 1.00 0.00 N ATOM 54 CA ASP A 4 3.328 10.218 0.814 1.00 0.00 C ATOM 55 C ASP A 4 4.234 9.065 1.250 1.00 0.00 C ATOM 56 O ASP A 4 5.152 9.256 2.051 1.00 0.00 O ATOM 57 CB ASP A 4 1.958 10.093 1.491 1.00 0.00 C ATOM 58 CG ASP A 4 2.055 10.055 3.005 1.00 0.00 C ATOM 59 OD1 ASP A 4 2.534 11.047 3.596 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.656 9.032 3.600 1.00 0.00 O ATOM 61 H ASP A 4 2.277 10.251 -1.032 1.00 0.00 H ATOM 62 HA ASP A 4 3.784 11.150 1.113 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.348 10.938 1.210 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.481 9.183 1.156 1.00 0.00 H ATOM 65 N GLU A 5 3.975 7.875 0.707 1.00 0.00 N ATOM 66 CA GLU A 5 4.771 6.691 1.026 1.00 0.00 C ATOM 67 C GLU A 5 6.193 6.825 0.478 1.00 0.00 C ATOM 68 O GLU A 5 7.157 6.421 1.129 1.00 0.00 O ATOM 69 CB GLU A 5 4.109 5.429 0.462 1.00 0.00 C ATOM 70 CG GLU A 5 2.693 5.199 0.973 1.00 0.00 C ATOM 71 CD GLU A 5 2.619 5.118 2.487 1.00 0.00 C ATOM 72 OE1 GLU A 5 3.235 4.199 3.066 1.00 0.00 O ATOM 73 OE2 GLU A 5 1.946 5.979 3.094 1.00 0.00 O ATOM 74 H GLU A 5 3.235 7.793 0.068 1.00 0.00 H ATOM 75 HA GLU A 5 4.822 6.608 2.102 1.00 0.00 H ATOM 76 HB2 GLU A 5 4.071 5.507 -0.615 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.708 4.572 0.730 1.00 0.00 H ATOM 78 HG2 GLU A 5 2.068 6.014 0.641 1.00 0.00 H ATOM 79 HG3 GLU A 5 2.322 4.273 0.559 1.00 0.00 H ATOM 80 N PHE A 6 6.311 7.395 -0.725 1.00 0.00 N ATOM 81 CA PHE A 6 7.607 7.589 -1.373 1.00 0.00 C ATOM 82 C PHE A 6 8.535 8.445 -0.508 1.00 0.00 C ATOM 83 O PHE A 6 9.685 8.074 -0.273 1.00 0.00 O ATOM 84 CB PHE A 6 7.419 8.242 -2.749 1.00 0.00 C ATOM 85 CG PHE A 6 8.700 8.441 -3.511 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.585 7.390 -3.697 1.00 0.00 C ATOM 87 CD2 PHE A 6 9.019 9.682 -4.041 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.763 7.573 -4.396 1.00 0.00 C ATOM 89 CE2 PHE A 6 10.195 9.870 -4.741 1.00 0.00 C ATOM 90 CZ PHE A 6 11.068 8.814 -4.919 1.00 0.00 C ATOM 91 H PHE A 6 5.501 7.694 -1.191 1.00 0.00 H ATOM 92 HA PHE A 6 8.058 6.617 -1.506 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.772 7.618 -3.348 1.00 0.00 H ATOM 94 HB3 PHE A 6 6.955 9.209 -2.618 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.346 6.419 -3.290 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.337 10.508 -3.903 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.444 6.746 -4.533 1.00 0.00 H ATOM 98 HE2 PHE A 6 10.432 10.841 -5.149 1.00 0.00 H ATOM 99 HZ PHE A 6 11.988 8.959 -5.465 1.00 0.00 H ATOM 100 N ASP A 7 8.025 9.586 -0.031 1.00 0.00 N ATOM 101 CA ASP A 7 8.812 10.487 0.816 1.00 0.00 C ATOM 102 C ASP A 7 9.212 9.800 2.122 1.00 0.00 C ATOM 103 O ASP A 7 10.326 9.986 2.613 1.00 0.00 O ATOM 104 CB ASP A 7 8.034 11.771 1.127 1.00 0.00 C ATOM 105 CG ASP A 7 7.686 12.568 -0.118 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.558 12.891 -0.927 1.00 0.00 O ATOM 107 H ASP A 7 7.099 9.824 -0.249 1.00 0.00 H ATOM 108 HA ASP A 7 9.709 10.745 0.274 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.116 11.513 1.633 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.632 12.396 1.775 1.00 0.00 H ATOM 111 N LYS A 8 8.294 9.007 2.678 1.00 0.00 N ATOM 112 CA LYS A 8 8.546 8.288 3.924 1.00 0.00 C ATOM 113 C LYS A 8 9.655 7.242 3.757 1.00 0.00 C ATOM 114 O LYS A 8 10.569 7.162 4.576 1.00 0.00 O ATOM 115 CB LYS A 8 7.245 7.635 4.428 1.00 0.00 C ATOM 116 CG LYS A 8 7.452 6.372 5.255 1.00 0.00 C ATOM 117 CD LYS A 8 8.453 6.584 6.379 1.00 0.00 C ATOM 118 CE LYS A 8 9.263 5.322 6.624 1.00 0.00 C ATOM 119 NZ LYS A 8 10.606 5.615 7.120 1.00 0.00 N ATOM 120 H LYS A 8 7.426 8.899 2.236 1.00 0.00 H ATOM 121 HA LYS A 8 8.872 9.014 4.655 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.713 8.350 5.037 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.632 7.382 3.575 1.00 0.00 H ATOM 124 HG2 LYS A 8 6.506 6.078 5.683 1.00 0.00 H ATOM 125 HG3 LYS A 8 7.813 5.587 4.606 1.00 0.00 H ATOM 126 HD2 LYS A 8 9.120 7.389 6.117 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.917 6.837 7.282 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.746 4.716 7.354 1.00 0.00 H ATOM 129 HE3 LYS A 8 9.342 4.775 5.696 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.680 6.138 7.945 1.00 0.00 H ATOM 131 N SER A 9 9.571 6.437 2.705 1.00 0.00 N ATOM 132 CA SER A 9 10.572 5.399 2.464 1.00 0.00 C ATOM 133 C SER A 9 11.954 5.999 2.196 1.00 0.00 C ATOM 134 O SER A 9 12.936 5.589 2.810 1.00 0.00 O ATOM 135 CB SER A 9 10.147 4.510 1.291 1.00 0.00 C ATOM 136 OG SER A 9 11.093 3.480 1.059 1.00 0.00 O ATOM 137 H SER A 9 8.819 6.536 2.083 1.00 0.00 H ATOM 138 HA SER A 9 10.634 4.791 3.359 1.00 0.00 H ATOM 139 HB2 SER A 9 9.191 4.060 1.512 1.00 0.00 H ATOM 140 HB3 SER A 9 10.063 5.113 0.399 1.00 0.00 H ATOM 141 HG SER A 9 10.866 2.712 1.588 1.00 0.00 H ATOM 142 N ILE A 10 12.029 6.961 1.276 1.00 0.00 N ATOM 143 CA ILE A 10 13.306 7.594 0.929 1.00 0.00 C ATOM 144 C ILE A 10 14.035 8.151 2.158 1.00 0.00 C ATOM 145 O ILE A 10 15.263 8.079 2.233 1.00 0.00 O ATOM 146 CB ILE A 10 13.137 8.721 -0.118 1.00 0.00 C ATOM 147 CG1 ILE A 10 12.227 9.834 0.414 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.590 8.155 -1.423 1.00 0.00 C ATOM 149 CD1 ILE A 10 12.060 10.995 -0.544 1.00 0.00 C ATOM 150 H ILE A 10 11.213 7.246 0.812 1.00 0.00 H ATOM 151 HA ILE A 10 13.930 6.830 0.488 1.00 0.00 H ATOM 152 HB ILE A 10 14.114 9.135 -0.322 1.00 0.00 H ATOM 153 HG12 ILE A 10 11.249 9.425 0.610 1.00 0.00 H ATOM 154 HG13 ILE A 10 12.642 10.220 1.334 1.00 0.00 H ATOM 155 HG21 ILE A 10 11.729 8.729 -1.734 1.00 0.00 H ATOM 156 HG22 ILE A 10 12.300 7.125 -1.276 1.00 0.00 H ATOM 157 HG23 ILE A 10 13.352 8.208 -2.186 1.00 0.00 H ATOM 158 HD11 ILE A 10 11.639 11.838 -0.017 1.00 0.00 H ATOM 159 HD12 ILE A 10 11.400 10.706 -1.348 1.00 0.00 H ATOM 160 HD13 ILE A 10 13.023 11.269 -0.950 1.00 0.00 H ATOM 161 N ARG A 11 13.286 8.713 3.113 1.00 0.00 N ATOM 162 CA ARG A 11 13.895 9.283 4.318 1.00 0.00 C ATOM 163 C ARG A 11 14.383 8.207 5.299 1.00 0.00 C ATOM 164 O ARG A 11 15.344 8.444 6.034 1.00 0.00 O ATOM 165 CB ARG A 11 12.947 10.282 5.011 1.00 0.00 C ATOM 166 CG ARG A 11 11.584 9.726 5.406 1.00 0.00 C ATOM 167 CD ARG A 11 11.648 8.879 6.672 1.00 0.00 C ATOM 168 NE ARG A 11 12.120 9.641 7.829 1.00 0.00 N ATOM 169 CZ ARG A 11 11.434 10.630 8.411 1.00 0.00 C ATOM 170 NH1 ARG A 11 10.218 10.960 7.979 1.00 0.00 N ATOM 171 NH2 ARG A 11 11.962 11.283 9.441 1.00 0.00 N ATOM 172 H ARG A 11 12.314 8.752 3.001 1.00 0.00 H ATOM 173 HA ARG A 11 14.765 9.832 3.987 1.00 0.00 H ATOM 174 HB2 ARG A 11 13.427 10.646 5.906 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.785 11.117 4.344 1.00 0.00 H ATOM 176 HG2 ARG A 11 10.910 10.551 5.576 1.00 0.00 H ATOM 177 HG3 ARG A 11 11.210 9.121 4.597 1.00 0.00 H ATOM 178 HD2 ARG A 11 10.659 8.502 6.885 1.00 0.00 H ATOM 179 HD3 ARG A 11 12.314 8.050 6.504 1.00 0.00 H ATOM 180 HE ARG A 11 13.004 9.411 8.187 1.00 0.00 H ATOM 181 HH11 ARG A 11 9.806 10.468 7.213 1.00 0.00 H ATOM 182 HH12 ARG A 11 9.716 11.703 8.422 1.00 0.00 H ATOM 183 HH21 ARG A 11 12.870 11.035 9.779 1.00 0.00 H ATOM 184 HH22 ARG A 11 11.452 12.024 9.879 1.00 0.00 H ATOM 185 N ASP A 12 13.737 7.031 5.321 1.00 0.00 N ATOM 186 CA ASP A 12 14.157 5.962 6.238 1.00 0.00 C ATOM 187 C ASP A 12 14.677 4.715 5.505 1.00 0.00 C ATOM 188 O ASP A 12 14.531 3.597 6.003 1.00 0.00 O ATOM 189 CB ASP A 12 13.025 5.573 7.205 1.00 0.00 C ATOM 190 CG ASP A 12 11.723 5.190 6.524 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.721 4.499 5.503 1.00 0.00 O ATOM 192 H ASP A 12 12.977 6.882 4.720 1.00 0.00 H ATOM 193 HA ASP A 12 14.973 6.358 6.824 1.00 0.00 H ATOM 194 HB2 ASP A 12 13.346 4.728 7.788 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.831 6.405 7.868 1.00 0.00 H ATOM 196 N VAL A 13 15.316 4.916 4.345 1.00 0.00 N ATOM 197 CA VAL A 13 15.895 3.813 3.560 1.00 0.00 C ATOM 198 C VAL A 13 16.289 4.273 2.153 1.00 0.00 C ATOM 199 O VAL A 13 17.342 3.893 1.639 1.00 0.00 O ATOM 200 CB VAL A 13 14.958 2.577 3.458 1.00 0.00 C ATOM 201 CG1 VAL A 13 13.625 2.929 2.816 1.00 0.00 C ATOM 202 CG2 VAL A 13 15.640 1.451 2.690 1.00 0.00 C ATOM 203 H VAL A 13 15.425 5.834 4.019 1.00 0.00 H ATOM 204 HA VAL A 13 16.796 3.500 4.072 1.00 0.00 H ATOM 205 HB VAL A 13 14.761 2.220 4.457 1.00 0.00 H ATOM 206 HG11 VAL A 13 13.031 3.502 3.513 1.00 0.00 H ATOM 207 HG12 VAL A 13 13.099 2.022 2.558 1.00 0.00 H ATOM 208 HG13 VAL A 13 13.795 3.512 1.924 1.00 0.00 H ATOM 209 HG21 VAL A 13 15.117 0.524 2.870 1.00 0.00 H ATOM 210 HG22 VAL A 13 16.663 1.357 3.022 1.00 0.00 H ATOM 211 HG23 VAL A 13 15.624 1.674 1.633 1.00 0.00 H HETATM 212 N NH2 A 14 15.449 5.092 1.526 1.00 0.00 N HETATM 213 HN1 NH2 A 14 14.627 5.357 1.988 1.00 0.00 H HETATM 214 HN2 NH2 A 14 15.686 5.396 0.626 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 7 HETATM 1 C ACE A 1 0.951 7.446 -2.084 1.00 0.00 C HETATM 2 O ACE A 1 1.944 6.845 -1.671 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.196 7.558 -1.287 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.470 8.600 -1.199 1.00 0.00 H HETATM 5 H2 ACE A 1 0.002 7.153 -0.307 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.007 7.009 -1.741 1.00 0.00 H HETATM 7 N ALN A 2 0.903 8.016 -3.291 1.00 0.00 N HETATM 8 CA ALN A 2 2.035 7.970 -4.218 1.00 0.00 C HETATM 9 C ALN A 2 3.267 8.650 -3.624 1.00 0.00 C HETATM 10 O ALN A 2 4.319 8.026 -3.481 1.00 0.00 O HETATM 11 CB ALN A 2 1.647 8.636 -5.548 1.00 0.00 C HETATM 12 CG1 ALN A 2 2.814 9.024 -6.427 1.00 0.00 C HETATM 13 CD1 ALN A 2 2.963 10.351 -6.799 1.00 0.00 C HETATM 14 CE1 ALN A 2 4.017 10.744 -7.598 1.00 0.00 C HETATM 15 CD2 ALN A 2 3.742 8.078 -6.865 1.00 0.00 C HETATM 16 CE2 ALN A 2 4.801 8.478 -7.667 1.00 0.00 C HETATM 17 CZ1 ALN A 2 4.933 9.808 -8.029 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.623 6.740 -6.514 1.00 0.00 C HETATM 19 CD3 ALN A 2 4.549 5.812 -6.954 1.00 0.00 C HETATM 20 CE3 ALN A 2 5.602 6.216 -7.752 1.00 0.00 C HETATM 21 CZ2 ALN A 2 5.725 7.545 -8.105 1.00 0.00 C HETATM 22 H ALN A 2 0.085 8.481 -3.565 1.00 0.00 H HETATM 23 HA ALN A 2 2.267 6.934 -4.399 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.025 7.957 -6.111 1.00 0.00 H HETATM 25 HB3 ALN A 2 1.082 9.533 -5.335 1.00 0.00 H HETATM 26 HD1 ALN A 2 2.244 11.082 -6.459 1.00 0.00 H HETATM 27 HE1 ALN A 2 4.125 11.780 -7.884 1.00 0.00 H HETATM 28 HZ1 ALN A 2 5.761 10.110 -8.654 1.00 0.00 H HETATM 29 HG2 ALN A 2 2.801 6.423 -5.892 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.448 4.773 -6.675 1.00 0.00 H HETATM 31 HE3 ALN A 2 6.327 5.494 -8.098 1.00 0.00 H HETATM 32 HZ2 ALN A 2 6.548 7.864 -8.728 1.00 0.00 H ATOM 33 N LYS A 3 3.127 9.928 -3.280 1.00 0.00 N ATOM 34 CA LYS A 3 4.230 10.688 -2.702 1.00 0.00 C ATOM 35 C LYS A 3 4.386 10.396 -1.218 1.00 0.00 C ATOM 36 O LYS A 3 5.490 10.146 -0.743 1.00 0.00 O ATOM 37 CB LYS A 3 4.020 12.187 -2.897 1.00 0.00 C ATOM 38 CG LYS A 3 5.180 13.021 -2.375 1.00 0.00 C ATOM 39 CD LYS A 3 6.482 12.684 -3.089 1.00 0.00 C ATOM 40 CE LYS A 3 7.697 13.144 -2.294 1.00 0.00 C ATOM 41 NZ LYS A 3 7.899 12.349 -1.079 1.00 0.00 N ATOM 42 H LYS A 3 2.262 10.368 -3.417 1.00 0.00 H ATOM 43 HA LYS A 3 5.135 10.393 -3.211 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.891 12.387 -3.945 1.00 0.00 H ATOM 45 HB3 LYS A 3 3.126 12.484 -2.371 1.00 0.00 H ATOM 46 HG2 LYS A 3 4.956 14.066 -2.531 1.00 0.00 H ATOM 47 HG3 LYS A 3 5.298 12.831 -1.320 1.00 0.00 H ATOM 48 HD2 LYS A 3 6.541 11.615 -3.228 1.00 0.00 H ATOM 49 HD3 LYS A 3 6.489 13.174 -4.052 1.00 0.00 H ATOM 50 HE2 LYS A 3 8.573 13.056 -2.918 1.00 0.00 H ATOM 51 HE3 LYS A 3 7.558 14.179 -2.016 1.00 0.00 H ATOM 52 HZ1 LYS A 3 8.453 11.546 -1.158 1.00 0.00 H ATOM 53 N ASP A 4 3.271 10.453 -0.493 1.00 0.00 N ATOM 54 CA ASP A 4 3.267 10.212 0.953 1.00 0.00 C ATOM 55 C ASP A 4 4.140 9.006 1.321 1.00 0.00 C ATOM 56 O ASP A 4 5.012 9.106 2.187 1.00 0.00 O ATOM 57 CB ASP A 4 1.829 9.991 1.446 1.00 0.00 C ATOM 58 CG ASP A 4 1.711 9.902 2.964 1.00 0.00 C ATOM 59 OD1 ASP A 4 2.731 10.074 3.667 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.586 9.666 3.451 1.00 0.00 O ATOM 61 H ASP A 4 2.429 10.680 -0.944 1.00 0.00 H ATOM 62 HA ASP A 4 3.670 11.091 1.433 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.214 10.811 1.109 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.453 9.071 1.022 1.00 0.00 H ATOM 65 N GLU A 5 3.908 7.874 0.651 1.00 0.00 N ATOM 66 CA GLU A 5 4.682 6.659 0.906 1.00 0.00 C ATOM 67 C GLU A 5 6.131 6.833 0.453 1.00 0.00 C ATOM 68 O GLU A 5 7.059 6.463 1.172 1.00 0.00 O ATOM 69 CB GLU A 5 4.039 5.457 0.197 1.00 0.00 C ATOM 70 CG GLU A 5 4.701 4.117 0.505 1.00 0.00 C ATOM 71 CD GLU A 5 5.679 3.666 -0.571 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.704 4.348 -0.778 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.414 2.626 -1.210 1.00 0.00 O ATOM 74 H GLU A 5 3.206 7.858 -0.033 1.00 0.00 H ATOM 75 HA GLU A 5 4.673 6.482 1.972 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.003 5.394 0.493 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.087 5.619 -0.870 1.00 0.00 H ATOM 78 HG2 GLU A 5 5.238 4.203 1.438 1.00 0.00 H ATOM 79 HG3 GLU A 5 3.931 3.366 0.606 1.00 0.00 H ATOM 80 N PHE A 6 6.315 7.393 -0.748 1.00 0.00 N ATOM 81 CA PHE A 6 7.652 7.609 -1.306 1.00 0.00 C ATOM 82 C PHE A 6 8.498 8.507 -0.401 1.00 0.00 C ATOM 83 O PHE A 6 9.666 8.214 -0.145 1.00 0.00 O ATOM 84 CB PHE A 6 7.555 8.233 -2.701 1.00 0.00 C ATOM 85 CG PHE A 6 8.423 7.553 -3.719 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.804 7.603 -3.620 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.854 6.863 -4.778 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.602 6.976 -4.557 1.00 0.00 C ATOM 89 CE2 PHE A 6 8.647 6.235 -5.719 1.00 0.00 C ATOM 90 CZ PHE A 6 10.023 6.292 -5.608 1.00 0.00 C ATOM 91 H PHE A 6 5.532 7.661 -1.274 1.00 0.00 H ATOM 92 HA PHE A 6 8.134 6.647 -1.387 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.534 8.177 -3.043 1.00 0.00 H ATOM 94 HB3 PHE A 6 7.854 9.270 -2.647 1.00 0.00 H ATOM 95 HD1 PHE A 6 10.258 8.137 -2.798 1.00 0.00 H ATOM 96 HD2 PHE A 6 6.778 6.819 -4.865 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.677 7.022 -4.468 1.00 0.00 H ATOM 98 HE2 PHE A 6 8.191 5.701 -6.539 1.00 0.00 H ATOM 99 HZ PHE A 6 10.645 5.801 -6.342 1.00 0.00 H ATOM 100 N ASP A 7 7.898 9.600 0.076 1.00 0.00 N ATOM 101 CA ASP A 7 8.588 10.547 0.952 1.00 0.00 C ATOM 102 C ASP A 7 9.047 9.865 2.242 1.00 0.00 C ATOM 103 O ASP A 7 10.164 10.097 2.709 1.00 0.00 O ATOM 104 CB ASP A 7 7.678 11.738 1.292 1.00 0.00 C ATOM 105 CG ASP A 7 7.376 12.665 0.112 1.00 0.00 C ATOM 106 OD1 ASP A 7 6.675 13.663 0.280 1.00 0.00 O ATOM 107 H ASP A 7 6.966 9.774 -0.168 1.00 0.00 H ATOM 108 HA ASP A 7 9.459 10.910 0.426 1.00 0.00 H ATOM 109 HB2 ASP A 7 6.738 11.361 1.664 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.150 12.324 2.069 1.00 0.00 H ATOM 111 N LYS A 8 8.179 9.028 2.815 1.00 0.00 N ATOM 112 CA LYS A 8 8.501 8.317 4.052 1.00 0.00 C ATOM 113 C LYS A 8 9.545 7.224 3.808 1.00 0.00 C ATOM 114 O LYS A 8 10.505 7.098 4.570 1.00 0.00 O ATOM 115 CB LYS A 8 7.229 7.716 4.674 1.00 0.00 C ATOM 116 CG LYS A 8 7.463 7.030 6.015 1.00 0.00 C ATOM 117 CD LYS A 8 8.066 5.641 5.846 1.00 0.00 C ATOM 118 CE LYS A 8 8.997 5.289 6.996 1.00 0.00 C ATOM 119 NZ LYS A 8 10.319 4.885 6.519 1.00 0.00 N ATOM 120 H LYS A 8 7.303 8.886 2.397 1.00 0.00 H ATOM 121 HA LYS A 8 8.916 9.037 4.742 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.508 8.506 4.820 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.817 6.989 3.988 1.00 0.00 H ATOM 124 HG2 LYS A 8 8.138 7.633 6.603 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.518 6.940 6.531 1.00 0.00 H ATOM 126 HD2 LYS A 8 7.266 4.916 5.813 1.00 0.00 H ATOM 127 HD3 LYS A 8 8.619 5.604 4.922 1.00 0.00 H ATOM 128 HE2 LYS A 8 9.104 6.154 7.635 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.562 4.477 7.560 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.365 4.403 5.665 1.00 0.00 H ATOM 131 N SER A 9 9.346 6.429 2.750 1.00 0.00 N ATOM 132 CA SER A 9 10.266 5.339 2.418 1.00 0.00 C ATOM 133 C SER A 9 11.694 5.848 2.221 1.00 0.00 C ATOM 134 O SER A 9 12.635 5.297 2.794 1.00 0.00 O ATOM 135 CB SER A 9 9.792 4.594 1.163 1.00 0.00 C ATOM 136 OG SER A 9 9.715 5.460 0.044 1.00 0.00 O ATOM 137 H SER A 9 8.557 6.575 2.187 1.00 0.00 H ATOM 138 HA SER A 9 10.262 4.649 3.249 1.00 0.00 H ATOM 139 HB2 SER A 9 10.485 3.798 0.937 1.00 0.00 H ATOM 140 HB3 SER A 9 8.813 4.175 1.347 1.00 0.00 H ATOM 141 HG SER A 9 9.259 5.016 -0.674 1.00 0.00 H ATOM 142 N ILE A 10 11.852 6.902 1.415 1.00 0.00 N ATOM 143 CA ILE A 10 13.173 7.479 1.158 1.00 0.00 C ATOM 144 C ILE A 10 13.805 8.007 2.450 1.00 0.00 C ATOM 145 O ILE A 10 15.021 7.932 2.627 1.00 0.00 O ATOM 146 CB ILE A 10 13.115 8.613 0.105 1.00 0.00 C ATOM 147 CG1 ILE A 10 14.530 9.085 -0.252 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.274 9.778 0.609 1.00 0.00 C ATOM 149 CD1 ILE A 10 14.564 10.139 -1.340 1.00 0.00 C ATOM 150 H ILE A 10 11.064 7.302 0.989 1.00 0.00 H ATOM 151 HA ILE A 10 13.801 6.690 0.767 1.00 0.00 H ATOM 152 HB ILE A 10 12.642 8.221 -0.784 1.00 0.00 H ATOM 153 HG12 ILE A 10 14.995 9.505 0.627 1.00 0.00 H ATOM 154 HG13 ILE A 10 15.110 8.239 -0.592 1.00 0.00 H ATOM 155 HG21 ILE A 10 11.307 9.415 0.921 1.00 0.00 H ATOM 156 HG22 ILE A 10 12.148 10.500 -0.184 1.00 0.00 H ATOM 157 HG23 ILE A 10 12.770 10.246 1.446 1.00 0.00 H ATOM 158 HD11 ILE A 10 14.008 9.789 -2.197 1.00 0.00 H ATOM 159 HD12 ILE A 10 15.588 10.328 -1.628 1.00 0.00 H ATOM 160 HD13 ILE A 10 14.119 11.051 -0.971 1.00 0.00 H ATOM 161 N ARG A 11 12.971 8.538 3.349 1.00 0.00 N ATOM 162 CA ARG A 11 13.446 9.074 4.624 1.00 0.00 C ATOM 163 C ARG A 11 14.043 7.973 5.506 1.00 0.00 C ATOM 164 O ARG A 11 15.110 8.156 6.093 1.00 0.00 O ATOM 165 CB ARG A 11 12.302 9.775 5.366 1.00 0.00 C ATOM 166 CG ARG A 11 12.714 10.396 6.694 1.00 0.00 C ATOM 167 CD ARG A 11 13.790 11.458 6.509 1.00 0.00 C ATOM 168 NE ARG A 11 14.171 12.088 7.774 1.00 0.00 N ATOM 169 CZ ARG A 11 13.361 12.860 8.509 1.00 0.00 C ATOM 170 NH1 ARG A 11 12.128 13.143 8.092 1.00 0.00 N ATOM 171 NH2 ARG A 11 13.792 13.363 9.660 1.00 0.00 N ATOM 172 H ARG A 11 12.011 8.568 3.150 1.00 0.00 H ATOM 173 HA ARG A 11 14.218 9.800 4.409 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.907 10.559 4.737 1.00 0.00 H ATOM 175 HB3 ARG A 11 11.521 9.055 5.559 1.00 0.00 H ATOM 176 HG2 ARG A 11 11.848 10.850 7.150 1.00 0.00 H ATOM 177 HG3 ARG A 11 13.095 9.619 7.341 1.00 0.00 H ATOM 178 HD2 ARG A 11 14.662 10.995 6.073 1.00 0.00 H ATOM 179 HD3 ARG A 11 13.415 12.217 5.839 1.00 0.00 H ATOM 180 HE ARG A 11 15.080 11.921 8.102 1.00 0.00 H ATOM 181 HH11 ARG A 11 11.796 12.782 7.221 1.00 0.00 H ATOM 182 HH12 ARG A 11 11.531 13.719 8.652 1.00 0.00 H ATOM 183 HH21 ARG A 11 14.721 13.165 9.977 1.00 0.00 H ATOM 184 HH22 ARG A 11 13.189 13.939 10.211 1.00 0.00 H ATOM 185 N ASP A 12 13.345 6.835 5.600 1.00 0.00 N ATOM 186 CA ASP A 12 13.810 5.713 6.420 1.00 0.00 C ATOM 187 C ASP A 12 15.096 5.104 5.861 1.00 0.00 C ATOM 188 O ASP A 12 16.071 4.926 6.592 1.00 0.00 O ATOM 189 CB ASP A 12 12.730 4.629 6.524 1.00 0.00 C ATOM 190 CG ASP A 12 11.453 5.131 7.177 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.487 5.720 8.258 1.00 0.00 O ATOM 192 H ASP A 12 12.499 6.752 5.112 1.00 0.00 H ATOM 193 HA ASP A 12 14.013 6.095 7.409 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.488 4.276 5.532 1.00 0.00 H ATOM 195 HB3 ASP A 12 13.112 3.806 7.110 1.00 0.00 H ATOM 196 N VAL A 13 15.090 4.784 4.567 1.00 0.00 N ATOM 197 CA VAL A 13 16.258 4.190 3.915 1.00 0.00 C ATOM 198 C VAL A 13 17.448 5.155 3.893 1.00 0.00 C ATOM 199 O VAL A 13 18.597 4.738 4.028 1.00 0.00 O ATOM 200 CB VAL A 13 15.939 3.742 2.471 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.834 2.696 2.466 1.00 0.00 C ATOM 202 CG2 VAL A 13 15.554 4.932 1.603 1.00 0.00 C ATOM 203 H VAL A 13 14.281 4.948 4.038 1.00 0.00 H ATOM 204 HA VAL A 13 16.538 3.314 4.482 1.00 0.00 H ATOM 205 HB VAL A 13 16.828 3.292 2.053 1.00 0.00 H ATOM 206 HG11 VAL A 13 14.895 2.101 3.366 1.00 0.00 H ATOM 207 HG12 VAL A 13 14.947 2.057 1.604 1.00 0.00 H ATOM 208 HG13 VAL A 13 13.873 3.188 2.426 1.00 0.00 H ATOM 209 HG21 VAL A 13 14.996 5.643 2.194 1.00 0.00 H ATOM 210 HG22 VAL A 13 14.945 4.595 0.777 1.00 0.00 H ATOM 211 HG23 VAL A 13 16.448 5.405 1.223 1.00 0.00 H HETATM 212 N NH2 A 14 17.175 6.447 3.723 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.238 6.716 3.621 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.924 7.078 3.704 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 8 HETATM 1 C ACE A 1 0.863 6.988 -1.628 1.00 0.00 C HETATM 2 O ACE A 1 1.882 6.637 -1.031 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.380 6.973 -0.980 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.165 7.153 -1.702 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.402 7.742 -0.224 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.532 6.012 -0.512 1.00 0.00 H HETATM 7 N ALN A 2 0.880 7.397 -2.899 1.00 0.00 N HETATM 8 CA ALN A 2 2.121 7.457 -3.674 1.00 0.00 C HETATM 9 C ALN A 2 3.092 8.475 -3.075 1.00 0.00 C HETATM 10 O ALN A 2 4.298 8.235 -3.028 1.00 0.00 O HETATM 11 CB ALN A 2 1.825 7.781 -5.152 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.193 9.133 -5.385 1.00 0.00 C HETATM 13 CD1 ALN A 2 -0.186 9.232 -5.486 1.00 0.00 C HETATM 14 CE1 ALN A 2 -0.789 10.456 -5.695 1.00 0.00 C HETATM 15 CD2 ALN A 2 1.977 10.283 -5.497 1.00 0.00 C HETATM 16 CE2 ALN A 2 1.368 11.510 -5.705 1.00 0.00 C HETATM 17 CZ1 ALN A 2 -0.011 11.591 -5.803 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.363 10.217 -5.407 1.00 0.00 C HETATM 19 CD3 ALN A 2 4.131 11.360 -5.520 1.00 0.00 C HETATM 20 CE3 ALN A 2 3.518 12.582 -5.726 1.00 0.00 C HETATM 21 CZ2 ALN A 2 2.141 12.653 -5.818 1.00 0.00 C HETATM 22 H ALN A 2 0.039 7.667 -3.325 1.00 0.00 H HETATM 23 HA ALN A 2 2.580 6.481 -3.621 1.00 0.00 H HETATM 24 HB2 ALN A 2 2.749 7.750 -5.708 1.00 0.00 H HETATM 25 HB3 ALN A 2 1.154 7.030 -5.546 1.00 0.00 H HETATM 26 HD1 ALN A 2 -0.791 8.341 -5.400 1.00 0.00 H HETATM 27 HE1 ALN A 2 -1.864 10.525 -5.772 1.00 0.00 H HETATM 28 HZ1 ALN A 2 -0.478 12.552 -5.966 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.841 9.263 -5.246 1.00 0.00 H HETATM 30 HD3 ALN A 2 5.207 11.300 -5.448 1.00 0.00 H HETATM 31 HE3 ALN A 2 4.115 13.478 -5.814 1.00 0.00 H HETATM 32 HZ2 ALN A 2 1.660 13.607 -5.978 1.00 0.00 H ATOM 33 N LYS A 3 2.557 9.608 -2.615 1.00 0.00 N ATOM 34 CA LYS A 3 3.374 10.662 -2.013 1.00 0.00 C ATOM 35 C LYS A 3 3.962 10.214 -0.682 1.00 0.00 C ATOM 36 O LYS A 3 5.182 10.160 -0.518 1.00 0.00 O ATOM 37 CB LYS A 3 2.538 11.934 -1.812 1.00 0.00 C ATOM 38 CG LYS A 3 3.086 12.879 -0.747 1.00 0.00 C ATOM 39 CD LYS A 3 4.585 13.105 -0.902 1.00 0.00 C ATOM 40 CE LYS A 3 5.262 13.253 0.454 1.00 0.00 C ATOM 41 NZ LYS A 3 6.699 12.992 0.379 1.00 0.00 N ATOM 42 H LYS A 3 1.588 9.738 -2.678 1.00 0.00 H ATOM 43 HA LYS A 3 4.183 10.881 -2.693 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.490 12.465 -2.743 1.00 0.00 H ATOM 45 HB3 LYS A 3 1.537 11.647 -1.523 1.00 0.00 H ATOM 46 HG2 LYS A 3 2.581 13.829 -0.830 1.00 0.00 H ATOM 47 HG3 LYS A 3 2.894 12.453 0.228 1.00 0.00 H ATOM 48 HD2 LYS A 3 5.019 12.265 -1.421 1.00 0.00 H ATOM 49 HD3 LYS A 3 4.745 14.006 -1.474 1.00 0.00 H ATOM 50 HE2 LYS A 3 5.107 14.260 0.811 1.00 0.00 H ATOM 51 HE3 LYS A 3 4.813 12.554 1.144 1.00 0.00 H ATOM 52 HZ1 LYS A 3 7.220 13.518 -0.264 1.00 0.00 H ATOM 53 N ASP A 4 3.081 9.911 0.265 1.00 0.00 N ATOM 54 CA ASP A 4 3.494 9.480 1.602 1.00 0.00 C ATOM 55 C ASP A 4 4.588 8.416 1.532 1.00 0.00 C ATOM 56 O ASP A 4 5.603 8.525 2.214 1.00 0.00 O ATOM 57 CB ASP A 4 2.295 8.942 2.391 1.00 0.00 C ATOM 58 CG ASP A 4 1.266 10.015 2.704 1.00 0.00 C ATOM 59 OD1 ASP A 4 0.679 10.576 1.754 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.050 10.296 3.902 1.00 0.00 O ATOM 61 H ASP A 4 2.124 9.995 0.060 1.00 0.00 H ATOM 62 HA ASP A 4 3.889 10.344 2.115 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.812 8.168 1.813 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.646 8.522 3.322 1.00 0.00 H ATOM 65 N GLU A 5 4.375 7.396 0.701 1.00 0.00 N ATOM 66 CA GLU A 5 5.344 6.311 0.542 1.00 0.00 C ATOM 67 C GLU A 5 6.624 6.785 -0.152 1.00 0.00 C ATOM 68 O GLU A 5 7.719 6.361 0.215 1.00 0.00 O ATOM 69 CB GLU A 5 4.721 5.156 -0.252 1.00 0.00 C ATOM 70 CG GLU A 5 5.644 3.953 -0.424 1.00 0.00 C ATOM 71 CD GLU A 5 5.991 3.254 0.886 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.454 3.646 1.946 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.799 2.302 0.847 1.00 0.00 O ATOM 74 H GLU A 5 3.544 7.370 0.182 1.00 0.00 H ATOM 75 HA GLU A 5 5.601 5.955 1.528 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.828 4.826 0.258 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.451 5.516 -1.234 1.00 0.00 H ATOM 78 HG2 GLU A 5 5.160 3.238 -1.072 1.00 0.00 H ATOM 79 HG3 GLU A 5 6.561 4.287 -0.887 1.00 0.00 H ATOM 80 N PHE A 6 6.480 7.645 -1.163 1.00 0.00 N ATOM 81 CA PHE A 6 7.629 8.152 -1.919 1.00 0.00 C ATOM 82 C PHE A 6 8.697 8.762 -1.003 1.00 0.00 C ATOM 83 O PHE A 6 9.809 8.236 -0.906 1.00 0.00 O ATOM 84 CB PHE A 6 7.167 9.188 -2.953 1.00 0.00 C ATOM 85 CG PHE A 6 8.289 9.808 -3.742 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.230 9.015 -4.381 1.00 0.00 C ATOM 87 CD2 PHE A 6 8.400 11.185 -3.841 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.260 9.586 -5.104 1.00 0.00 C ATOM 89 CE2 PHE A 6 9.427 11.761 -4.563 1.00 0.00 C ATOM 90 CZ PHE A 6 10.358 10.961 -5.195 1.00 0.00 C ATOM 91 H PHE A 6 5.579 7.936 -1.417 1.00 0.00 H ATOM 92 HA PHE A 6 8.066 7.315 -2.442 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.500 8.709 -3.654 1.00 0.00 H ATOM 94 HB3 PHE A 6 6.638 9.981 -2.446 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.153 7.940 -4.311 1.00 0.00 H ATOM 96 HD2 PHE A 6 7.672 11.812 -3.347 1.00 0.00 H ATOM 97 HE1 PHE A 6 10.988 8.958 -5.597 1.00 0.00 H ATOM 98 HE2 PHE A 6 9.502 12.836 -4.632 1.00 0.00 H ATOM 99 HZ PHE A 6 11.163 11.410 -5.759 1.00 0.00 H ATOM 100 N ASP A 7 8.360 9.873 -0.343 1.00 0.00 N ATOM 101 CA ASP A 7 9.304 10.551 0.552 1.00 0.00 C ATOM 102 C ASP A 7 9.594 9.747 1.825 1.00 0.00 C ATOM 103 O ASP A 7 10.702 9.818 2.356 1.00 0.00 O ATOM 104 CB ASP A 7 8.832 11.973 0.902 1.00 0.00 C ATOM 105 CG ASP A 7 7.334 12.088 1.133 1.00 0.00 C ATOM 106 OD1 ASP A 7 6.764 11.387 1.971 1.00 0.00 O ATOM 107 H ASP A 7 7.463 10.247 -0.466 1.00 0.00 H ATOM 108 HA ASP A 7 10.233 10.637 0.006 1.00 0.00 H ATOM 109 HB2 ASP A 7 9.333 12.295 1.802 1.00 0.00 H ATOM 110 HB3 ASP A 7 9.103 12.638 0.094 1.00 0.00 H ATOM 111 N LYS A 8 8.613 8.985 2.314 1.00 0.00 N ATOM 112 CA LYS A 8 8.801 8.179 3.525 1.00 0.00 C ATOM 113 C LYS A 8 9.848 7.084 3.298 1.00 0.00 C ATOM 114 O LYS A 8 10.811 6.968 4.054 1.00 0.00 O ATOM 115 CB LYS A 8 7.465 7.551 3.955 1.00 0.00 C ATOM 116 CG LYS A 8 7.547 6.607 5.153 1.00 0.00 C ATOM 117 CD LYS A 8 7.568 7.347 6.490 1.00 0.00 C ATOM 118 CE LYS A 8 8.855 8.134 6.702 1.00 0.00 C ATOM 119 NZ LYS A 8 10.045 7.304 6.522 1.00 0.00 N ATOM 120 H LYS A 8 7.749 8.958 1.852 1.00 0.00 H ATOM 121 HA LYS A 8 9.148 8.836 4.307 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.777 8.344 4.205 1.00 0.00 H ATOM 123 HB3 LYS A 8 7.063 6.995 3.120 1.00 0.00 H ATOM 124 HG2 LYS A 8 6.688 5.954 5.136 1.00 0.00 H ATOM 125 HG3 LYS A 8 8.445 6.014 5.067 1.00 0.00 H ATOM 126 HD2 LYS A 8 6.736 8.032 6.520 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.465 6.624 7.287 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.886 8.949 5.997 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.854 8.530 7.707 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.007 6.606 5.836 1.00 0.00 H ATOM 131 N SER A 9 9.647 6.281 2.254 1.00 0.00 N ATOM 132 CA SER A 9 10.563 5.183 1.933 1.00 0.00 C ATOM 133 C SER A 9 11.983 5.675 1.635 1.00 0.00 C ATOM 134 O SER A 9 12.957 5.054 2.058 1.00 0.00 O ATOM 135 CB SER A 9 10.035 4.376 0.742 1.00 0.00 C ATOM 136 OG SER A 9 10.016 5.155 -0.444 1.00 0.00 O ATOM 137 H SER A 9 8.857 6.423 1.690 1.00 0.00 H ATOM 138 HA SER A 9 10.604 4.534 2.795 1.00 0.00 H ATOM 139 HB2 SER A 9 10.669 3.518 0.581 1.00 0.00 H ATOM 140 HB3 SER A 9 9.029 4.044 0.955 1.00 0.00 H ATOM 141 HG SER A 9 9.180 5.622 -0.508 1.00 0.00 H ATOM 142 N ILE A 10 12.102 6.770 0.883 1.00 0.00 N ATOM 143 CA ILE A 10 13.415 7.303 0.516 1.00 0.00 C ATOM 144 C ILE A 10 14.105 8.033 1.680 1.00 0.00 C ATOM 145 O ILE A 10 15.303 7.849 1.902 1.00 0.00 O ATOM 146 CB ILE A 10 13.313 8.242 -0.719 1.00 0.00 C ATOM 147 CG1 ILE A 10 14.702 8.551 -1.307 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.582 9.532 -0.367 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.577 9.428 -0.433 1.00 0.00 C ATOM 150 H ILE A 10 11.293 7.216 0.552 1.00 0.00 H ATOM 151 HA ILE A 10 14.033 6.461 0.236 1.00 0.00 H ATOM 152 HB ILE A 10 12.727 7.732 -1.470 1.00 0.00 H ATOM 153 HG12 ILE A 10 15.229 7.624 -1.469 1.00 0.00 H ATOM 154 HG13 ILE A 10 14.575 9.054 -2.255 1.00 0.00 H ATOM 155 HG21 ILE A 10 11.696 9.299 0.205 1.00 0.00 H ATOM 156 HG22 ILE A 10 12.299 10.045 -1.275 1.00 0.00 H ATOM 157 HG23 ILE A 10 13.231 10.167 0.217 1.00 0.00 H ATOM 158 HD11 ILE A 10 16.047 10.187 -1.041 1.00 0.00 H ATOM 159 HD12 ILE A 10 16.338 8.823 0.037 1.00 0.00 H ATOM 160 HD13 ILE A 10 14.973 9.901 0.327 1.00 0.00 H ATOM 161 N ARG A 11 13.362 8.877 2.400 1.00 0.00 N ATOM 162 CA ARG A 11 13.932 9.651 3.509 1.00 0.00 C ATOM 163 C ARG A 11 14.298 8.783 4.718 1.00 0.00 C ATOM 164 O ARG A 11 15.446 8.803 5.168 1.00 0.00 O ATOM 165 CB ARG A 11 12.960 10.756 3.938 1.00 0.00 C ATOM 166 CG ARG A 11 13.549 11.740 4.937 1.00 0.00 C ATOM 167 CD ARG A 11 14.780 12.435 4.372 1.00 0.00 C ATOM 168 NE ARG A 11 15.287 13.481 5.261 1.00 0.00 N ATOM 169 CZ ARG A 11 14.643 14.624 5.522 1.00 0.00 C ATOM 170 NH1 ARG A 11 13.475 14.894 4.943 1.00 0.00 N ATOM 171 NH2 ARG A 11 15.179 15.507 6.359 1.00 0.00 N ATOM 172 H ARG A 11 12.417 9.001 2.169 1.00 0.00 H ATOM 173 HA ARG A 11 14.835 10.117 3.144 1.00 0.00 H ATOM 174 HB2 ARG A 11 12.653 11.308 3.061 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.090 10.299 4.386 1.00 0.00 H ATOM 176 HG2 ARG A 11 12.804 12.484 5.177 1.00 0.00 H ATOM 177 HG3 ARG A 11 13.827 11.205 5.834 1.00 0.00 H ATOM 178 HD2 ARG A 11 15.556 11.698 4.226 1.00 0.00 H ATOM 179 HD3 ARG A 11 14.523 12.877 3.421 1.00 0.00 H ATOM 180 HE ARG A 11 16.153 13.322 5.693 1.00 0.00 H ATOM 181 HH11 ARG A 11 13.068 14.242 4.304 1.00 0.00 H ATOM 182 HH12 ARG A 11 13.003 15.752 5.148 1.00 0.00 H ATOM 183 HH21 ARG A 11 16.061 15.315 6.791 1.00 0.00 H ATOM 184 HH22 ARG A 11 14.702 16.364 6.555 1.00 0.00 H ATOM 185 N ASP A 12 13.325 8.044 5.257 1.00 0.00 N ATOM 186 CA ASP A 12 13.567 7.200 6.434 1.00 0.00 C ATOM 187 C ASP A 12 14.679 6.181 6.184 1.00 0.00 C ATOM 188 O ASP A 12 15.555 5.999 7.030 1.00 0.00 O ATOM 189 CB ASP A 12 12.287 6.479 6.868 1.00 0.00 C ATOM 190 CG ASP A 12 11.167 7.441 7.221 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.315 8.290 8.102 1.00 0.00 O ATOM 192 H ASP A 12 12.424 8.079 4.869 1.00 0.00 H ATOM 193 HA ASP A 12 13.880 7.853 7.235 1.00 0.00 H ATOM 194 HB2 ASP A 12 11.950 5.843 6.063 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.500 5.870 7.735 1.00 0.00 H ATOM 196 N VAL A 13 14.642 5.520 5.026 1.00 0.00 N ATOM 197 CA VAL A 13 15.654 4.523 4.687 1.00 0.00 C ATOM 198 C VAL A 13 16.284 4.808 3.320 1.00 0.00 C ATOM 199 O VAL A 13 16.086 4.064 2.359 1.00 0.00 O ATOM 200 CB VAL A 13 15.073 3.088 4.719 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.692 2.700 6.139 1.00 0.00 C ATOM 202 CG2 VAL A 13 13.867 2.961 3.796 1.00 0.00 C ATOM 203 H VAL A 13 13.919 5.704 4.389 1.00 0.00 H ATOM 204 HA VAL A 13 16.430 4.582 5.438 1.00 0.00 H ATOM 205 HB VAL A 13 15.836 2.405 4.376 1.00 0.00 H ATOM 206 HG11 VAL A 13 15.521 2.901 6.802 1.00 0.00 H ATOM 207 HG12 VAL A 13 14.451 1.648 6.173 1.00 0.00 H ATOM 208 HG13 VAL A 13 13.833 3.276 6.452 1.00 0.00 H ATOM 209 HG21 VAL A 13 14.151 3.226 2.790 1.00 0.00 H ATOM 210 HG22 VAL A 13 13.084 3.623 4.135 1.00 0.00 H ATOM 211 HG23 VAL A 13 13.508 1.943 3.813 1.00 0.00 H HETATM 212 N NH2 A 14 17.049 5.893 3.235 1.00 0.00 N HETATM 213 HN1 NH2 A 14 17.167 6.443 4.039 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.463 6.100 2.370 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 9 HETATM 1 C ACE A 1 0.525 8.266 -2.009 1.00 0.00 C HETATM 2 O ACE A 1 1.407 7.618 -1.440 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.690 8.529 -1.363 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.752 9.583 -1.127 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.747 7.951 -0.453 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.509 8.255 -2.009 1.00 0.00 H HETATM 7 N ALN A 2 0.672 8.746 -3.248 1.00 0.00 N HETATM 8 CA ALN A 2 1.900 8.530 -4.016 1.00 0.00 C HETATM 9 C ALN A 2 3.120 9.092 -3.295 1.00 0.00 C HETATM 10 O ALN A 2 4.083 8.369 -3.036 1.00 0.00 O HETATM 11 CB ALN A 2 1.800 9.167 -5.406 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.172 8.277 -6.449 1.00 0.00 C HETATM 13 CD1 ALN A 2 -0.124 7.820 -6.277 1.00 0.00 C HETATM 14 CE1 ALN A 2 -0.713 7.008 -7.226 1.00 0.00 C HETATM 15 CD2 ALN A 2 1.885 7.913 -7.591 1.00 0.00 C HETATM 16 CE2 ALN A 2 1.292 7.099 -8.542 1.00 0.00 C HETATM 17 CZ1 ALN A 2 -0.004 6.649 -8.355 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.187 8.355 -7.790 1.00 0.00 C HETATM 19 CD3 ALN A 2 3.889 7.989 -8.922 1.00 0.00 C HETATM 20 CE3 ALN A 2 3.293 7.178 -9.868 1.00 0.00 C HETATM 21 CZ2 ALN A 2 1.998 6.735 -9.677 1.00 0.00 C HETATM 22 H ALN A 2 -0.061 9.255 -3.654 1.00 0.00 H HETATM 23 HA ALN A 2 2.030 7.466 -4.131 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.201 10.063 -5.337 1.00 0.00 H HETATM 25 HB3 ALN A 2 2.789 9.432 -5.741 1.00 0.00 H HETATM 26 HD1 ALN A 2 -0.674 8.104 -5.392 1.00 0.00 H HETATM 27 HE1 ALN A 2 -1.724 6.655 -7.086 1.00 0.00 H HETATM 28 HZ1 ALN A 2 -0.461 6.016 -9.101 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.653 8.989 -7.052 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.901 8.337 -9.067 1.00 0.00 H HETATM 31 HE3 ALN A 2 3.838 6.891 -10.756 1.00 0.00 H HETATM 32 HZ2 ALN A 2 1.530 6.101 -10.415 1.00 0.00 H ATOM 33 N LYS A 3 3.074 10.386 -2.984 1.00 0.00 N ATOM 34 CA LYS A 3 4.181 11.053 -2.304 1.00 0.00 C ATOM 35 C LYS A 3 4.352 10.549 -0.878 1.00 0.00 C ATOM 36 O LYS A 3 5.462 10.239 -0.459 1.00 0.00 O ATOM 37 CB LYS A 3 3.969 12.566 -2.281 1.00 0.00 C ATOM 38 CG LYS A 3 5.162 13.324 -1.721 1.00 0.00 C ATOM 39 CD LYS A 3 6.417 13.092 -2.554 1.00 0.00 C ATOM 40 CE LYS A 3 7.683 13.375 -1.759 1.00 0.00 C ATOM 41 NZ LYS A 3 7.892 12.396 -0.688 1.00 0.00 N ATOM 42 H LYS A 3 2.280 10.906 -3.226 1.00 0.00 H ATOM 43 HA LYS A 3 5.083 10.837 -2.857 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.781 12.906 -3.282 1.00 0.00 H ATOM 45 HB3 LYS A 3 3.109 12.789 -1.667 1.00 0.00 H ATOM 46 HG2 LYS A 3 4.936 14.380 -1.718 1.00 0.00 H ATOM 47 HG3 LYS A 3 5.343 12.990 -0.712 1.00 0.00 H ATOM 48 HD2 LYS A 3 6.435 12.064 -2.884 1.00 0.00 H ATOM 49 HD3 LYS A 3 6.390 13.745 -3.414 1.00 0.00 H ATOM 50 HE2 LYS A 3 8.528 13.344 -2.430 1.00 0.00 H ATOM 51 HE3 LYS A 3 7.607 14.360 -1.324 1.00 0.00 H ATOM 52 HZ1 LYS A 3 8.417 11.600 -0.905 1.00 0.00 H ATOM 53 N ASP A 4 3.249 10.492 -0.134 1.00 0.00 N ATOM 54 CA ASP A 4 3.277 10.041 1.264 1.00 0.00 C ATOM 55 C ASP A 4 4.130 8.782 1.432 1.00 0.00 C ATOM 56 O ASP A 4 4.993 8.720 2.312 1.00 0.00 O ATOM 57 CB ASP A 4 1.856 9.776 1.773 1.00 0.00 C ATOM 58 CG ASP A 4 0.982 11.016 1.740 1.00 0.00 C ATOM 59 OD1 ASP A 4 1.303 11.988 2.456 1.00 0.00 O ATOM 60 OD2 ASP A 4 -0.023 11.015 0.998 1.00 0.00 O ATOM 61 H ASP A 4 2.398 10.775 -0.532 1.00 0.00 H ATOM 62 HA ASP A 4 3.715 10.834 1.853 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.395 9.018 1.159 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.908 9.423 2.793 1.00 0.00 H ATOM 65 N GLU A 5 3.890 7.787 0.578 1.00 0.00 N ATOM 66 CA GLU A 5 4.638 6.531 0.622 1.00 0.00 C ATOM 67 C GLU A 5 6.077 6.739 0.142 1.00 0.00 C ATOM 68 O GLU A 5 7.026 6.285 0.784 1.00 0.00 O ATOM 69 CB GLU A 5 3.930 5.471 -0.233 1.00 0.00 C ATOM 70 CG GLU A 5 4.539 4.076 -0.149 1.00 0.00 C ATOM 71 CD GLU A 5 5.898 3.971 -0.820 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.987 4.265 -2.032 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.870 3.589 -0.135 1.00 0.00 O ATOM 74 H GLU A 5 3.195 7.902 -0.105 1.00 0.00 H ATOM 75 HA GLU A 5 4.661 6.197 1.649 1.00 0.00 H ATOM 76 HB2 GLU A 5 2.900 5.406 0.084 1.00 0.00 H ATOM 77 HB3 GLU A 5 3.955 5.788 -1.266 1.00 0.00 H ATOM 78 HG2 GLU A 5 4.650 3.811 0.893 1.00 0.00 H ATOM 79 HG3 GLU A 5 3.866 3.377 -0.623 1.00 0.00 H ATOM 80 N PHE A 6 6.228 7.428 -0.992 1.00 0.00 N ATOM 81 CA PHE A 6 7.547 7.700 -1.569 1.00 0.00 C ATOM 82 C PHE A 6 8.437 8.472 -0.591 1.00 0.00 C ATOM 83 O PHE A 6 9.625 8.174 -0.450 1.00 0.00 O ATOM 84 CB PHE A 6 7.398 8.497 -2.869 1.00 0.00 C ATOM 85 CG PHE A 6 8.226 7.965 -4.004 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.603 7.859 -3.887 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.625 7.566 -5.187 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.364 7.366 -4.929 1.00 0.00 C ATOM 89 CE2 PHE A 6 8.380 7.072 -6.232 1.00 0.00 C ATOM 90 CZ PHE A 6 9.752 6.972 -6.104 1.00 0.00 C ATOM 91 H PHE A 6 5.430 7.763 -1.454 1.00 0.00 H ATOM 92 HA PHE A 6 8.013 6.752 -1.790 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.365 8.479 -3.178 1.00 0.00 H ATOM 94 HB3 PHE A 6 7.697 9.521 -2.692 1.00 0.00 H ATOM 95 HD1 PHE A 6 10.082 8.166 -2.970 1.00 0.00 H ATOM 96 HD2 PHE A 6 6.552 7.644 -5.289 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.436 7.288 -4.826 1.00 0.00 H ATOM 98 HE2 PHE A 6 7.899 6.764 -7.149 1.00 0.00 H ATOM 99 HZ PHE A 6 10.345 6.587 -6.920 1.00 0.00 H ATOM 100 N ASP A 7 7.854 9.470 0.074 1.00 0.00 N ATOM 101 CA ASP A 7 8.587 10.294 1.033 1.00 0.00 C ATOM 102 C ASP A 7 9.098 9.462 2.208 1.00 0.00 C ATOM 103 O ASP A 7 10.269 9.548 2.565 1.00 0.00 O ATOM 104 CB ASP A 7 7.706 11.435 1.566 1.00 0.00 C ATOM 105 CG ASP A 7 7.407 12.538 0.551 1.00 0.00 C ATOM 106 OD1 ASP A 7 6.741 13.517 0.889 1.00 0.00 O ATOM 107 H ASP A 7 6.906 9.660 -0.087 1.00 0.00 H ATOM 108 HA ASP A 7 9.436 10.719 0.519 1.00 0.00 H ATOM 109 HB2 ASP A 7 6.763 11.022 1.891 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.199 11.885 2.415 1.00 0.00 H ATOM 111 N LYS A 8 8.215 8.666 2.814 1.00 0.00 N ATOM 112 CA LYS A 8 8.598 7.842 3.959 1.00 0.00 C ATOM 113 C LYS A 8 9.660 6.809 3.584 1.00 0.00 C ATOM 114 O LYS A 8 10.611 6.597 4.337 1.00 0.00 O ATOM 115 CB LYS A 8 7.374 7.156 4.572 1.00 0.00 C ATOM 116 CG LYS A 8 7.696 6.351 5.823 1.00 0.00 C ATOM 117 CD LYS A 8 8.128 4.932 5.489 1.00 0.00 C ATOM 118 CE LYS A 8 9.017 4.346 6.574 1.00 0.00 C ATOM 119 NZ LYS A 8 10.428 4.327 6.180 1.00 0.00 N ATOM 120 H LYS A 8 7.289 8.641 2.493 1.00 0.00 H ATOM 121 HA LYS A 8 9.023 8.505 4.700 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.645 7.909 4.831 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.944 6.487 3.840 1.00 0.00 H ATOM 124 HG2 LYS A 8 8.495 6.842 6.358 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.816 6.312 6.448 1.00 0.00 H ATOM 126 HD2 LYS A 8 7.248 4.314 5.390 1.00 0.00 H ATOM 127 HD3 LYS A 8 8.670 4.938 4.555 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.911 4.942 7.469 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.696 3.335 6.777 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.636 4.046 5.263 1.00 0.00 H ATOM 131 N SER A 9 9.496 6.166 2.425 1.00 0.00 N ATOM 132 CA SER A 9 10.455 5.155 1.974 1.00 0.00 C ATOM 133 C SER A 9 11.876 5.722 1.940 1.00 0.00 C ATOM 134 O SER A 9 12.810 5.092 2.439 1.00 0.00 O ATOM 135 CB SER A 9 10.066 4.606 0.595 1.00 0.00 C ATOM 136 OG SER A 9 10.108 5.614 -0.398 1.00 0.00 O ATOM 137 H SER A 9 8.718 6.375 1.866 1.00 0.00 H ATOM 138 HA SER A 9 10.429 4.345 2.688 1.00 0.00 H ATOM 139 HB2 SER A 9 10.752 3.820 0.319 1.00 0.00 H ATOM 140 HB3 SER A 9 9.065 4.206 0.642 1.00 0.00 H ATOM 141 HG SER A 9 10.750 5.374 -1.071 1.00 0.00 H ATOM 142 N ILE A 10 12.031 6.919 1.366 1.00 0.00 N ATOM 143 CA ILE A 10 13.342 7.567 1.292 1.00 0.00 C ATOM 144 C ILE A 10 13.767 8.122 2.660 1.00 0.00 C ATOM 145 O ILE A 10 14.952 8.106 2.998 1.00 0.00 O ATOM 146 CB ILE A 10 13.373 8.697 0.228 1.00 0.00 C ATOM 147 CG1 ILE A 10 14.778 9.304 0.121 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.350 9.779 0.544 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.848 8.306 -0.274 1.00 0.00 C ATOM 150 H ILE A 10 11.248 7.379 0.996 1.00 0.00 H ATOM 151 HA ILE A 10 14.057 6.812 0.995 1.00 0.00 H ATOM 152 HB ILE A 10 13.109 8.262 -0.725 1.00 0.00 H ATOM 153 HG12 ILE A 10 14.768 10.086 -0.623 1.00 0.00 H ATOM 154 HG13 ILE A 10 15.054 9.727 1.075 1.00 0.00 H ATOM 155 HG21 ILE A 10 12.597 10.247 1.487 1.00 0.00 H ATOM 156 HG22 ILE A 10 11.367 9.338 0.609 1.00 0.00 H ATOM 157 HG23 ILE A 10 12.358 10.523 -0.239 1.00 0.00 H ATOM 158 HD11 ILE A 10 16.148 7.738 0.594 1.00 0.00 H ATOM 159 HD12 ILE A 10 16.702 8.833 -0.671 1.00 0.00 H ATOM 160 HD13 ILE A 10 15.457 7.636 -1.025 1.00 0.00 H ATOM 161 N ARG A 11 12.793 8.604 3.446 1.00 0.00 N ATOM 162 CA ARG A 11 13.071 9.153 4.778 1.00 0.00 C ATOM 163 C ARG A 11 13.708 8.109 5.694 1.00 0.00 C ATOM 164 O ARG A 11 14.709 8.391 6.357 1.00 0.00 O ATOM 165 CB ARG A 11 11.790 9.693 5.423 1.00 0.00 C ATOM 166 CG ARG A 11 11.314 11.013 4.838 1.00 0.00 C ATOM 167 CD ARG A 11 12.225 12.165 5.234 1.00 0.00 C ATOM 168 NE ARG A 11 11.751 13.444 4.704 1.00 0.00 N ATOM 169 CZ ARG A 11 12.315 14.623 4.975 1.00 0.00 C ATOM 170 NH1 ARG A 11 13.380 14.697 5.771 1.00 0.00 N ATOM 171 NH2 ARG A 11 11.811 15.735 4.448 1.00 0.00 N ATOM 172 H ARG A 11 11.868 8.585 3.124 1.00 0.00 H ATOM 173 HA ARG A 11 13.767 9.970 4.654 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.002 8.964 5.298 1.00 0.00 H ATOM 175 HB3 ARG A 11 11.967 9.837 6.479 1.00 0.00 H ATOM 176 HG2 ARG A 11 11.304 10.936 3.762 1.00 0.00 H ATOM 177 HG3 ARG A 11 10.316 11.217 5.196 1.00 0.00 H ATOM 178 HD2 ARG A 11 12.263 12.223 6.311 1.00 0.00 H ATOM 179 HD3 ARG A 11 13.216 11.971 4.849 1.00 0.00 H ATOM 180 HE ARG A 11 10.967 13.424 4.115 1.00 0.00 H ATOM 181 HH11 ARG A 11 13.766 13.866 6.172 1.00 0.00 H ATOM 182 HH12 ARG A 11 13.795 15.585 5.970 1.00 0.00 H ATOM 183 HH21 ARG A 11 11.011 15.686 3.850 1.00 0.00 H ATOM 184 HH22 ARG A 11 12.229 16.620 4.651 1.00 0.00 H ATOM 185 N ASP A 12 13.131 6.904 5.727 1.00 0.00 N ATOM 186 CA ASP A 12 13.659 5.826 6.564 1.00 0.00 C ATOM 187 C ASP A 12 15.122 5.542 6.223 1.00 0.00 C ATOM 188 O ASP A 12 15.969 5.461 7.114 1.00 0.00 O ATOM 189 CB ASP A 12 12.833 4.544 6.400 1.00 0.00 C ATOM 190 CG ASP A 12 11.436 4.648 6.992 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.272 4.989 8.164 1.00 0.00 O ATOM 192 H ASP A 12 12.337 6.737 5.175 1.00 0.00 H ATOM 193 HA ASP A 12 13.601 6.150 7.593 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.738 4.320 5.347 1.00 0.00 H ATOM 195 HB3 ASP A 12 13.350 3.730 6.887 1.00 0.00 H ATOM 196 N VAL A 13 15.411 5.403 4.928 1.00 0.00 N ATOM 197 CA VAL A 13 16.770 5.140 4.464 1.00 0.00 C ATOM 198 C VAL A 13 17.285 6.307 3.620 1.00 0.00 C ATOM 199 O VAL A 13 17.199 6.286 2.390 1.00 0.00 O ATOM 200 CB VAL A 13 16.847 3.833 3.642 1.00 0.00 C ATOM 201 CG1 VAL A 13 18.283 3.538 3.231 1.00 0.00 C ATOM 202 CG2 VAL A 13 16.262 2.665 4.426 1.00 0.00 C ATOM 203 H VAL A 13 14.691 5.486 4.266 1.00 0.00 H ATOM 204 HA VAL A 13 17.405 5.032 5.333 1.00 0.00 H ATOM 205 HB VAL A 13 16.261 3.963 2.743 1.00 0.00 H ATOM 206 HG11 VAL A 13 18.389 2.483 3.022 1.00 0.00 H ATOM 207 HG12 VAL A 13 18.951 3.814 4.033 1.00 0.00 H ATOM 208 HG13 VAL A 13 18.528 4.105 2.346 1.00 0.00 H ATOM 209 HG21 VAL A 13 15.197 2.804 4.536 1.00 0.00 H ATOM 210 HG22 VAL A 13 16.722 2.620 5.402 1.00 0.00 H ATOM 211 HG23 VAL A 13 16.454 1.744 3.896 1.00 0.00 H HETATM 212 N NH2 A 14 17.808 7.335 4.281 1.00 0.00 N HETATM 213 HN1 NH2 A 14 17.846 7.287 5.260 1.00 0.00 H HETATM 214 HN2 NH2 A 14 18.133 8.100 3.763 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 10 HETATM 1 C ACE A 1 0.671 7.250 -1.855 1.00 0.00 C HETATM 2 O ACE A 1 1.507 6.986 -0.991 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.657 7.528 -1.499 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.315 7.245 -2.310 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.761 8.582 -1.298 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.917 6.972 -0.613 1.00 0.00 H HETATM 7 N ALN A 2 0.973 7.290 -3.151 1.00 0.00 N HETATM 8 CA ALN A 2 2.326 7.018 -3.630 1.00 0.00 C HETATM 9 C ALN A 2 3.317 8.081 -3.169 1.00 0.00 C HETATM 10 O ALN A 2 4.466 7.769 -2.858 1.00 0.00 O HETATM 11 CB ALN A 2 2.365 6.918 -5.159 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.901 5.591 -5.694 1.00 0.00 C HETATM 13 CD1 ALN A 2 0.547 5.313 -5.786 1.00 0.00 C HETATM 14 CE1 ALN A 2 0.114 4.097 -6.277 1.00 0.00 C HETATM 15 CD2 ALN A 2 2.831 4.638 -6.101 1.00 0.00 C HETATM 16 CE2 ALN A 2 2.398 3.417 -6.591 1.00 0.00 C HETATM 17 CZ1 ALN A 2 1.039 3.152 -6.678 1.00 0.00 C HETATM 18 CG2 ALN A 2 4.193 4.895 -6.012 1.00 0.00 C HETATM 19 CD3 ALN A 2 5.115 3.949 -6.411 1.00 0.00 C HETATM 20 CE3 ALN A 2 4.683 2.732 -6.900 1.00 0.00 C HETATM 21 CZ2 ALN A 2 3.327 2.470 -6.991 1.00 0.00 C HETATM 22 H ALN A 2 0.270 7.507 -3.799 1.00 0.00 H HETATM 23 HA ALN A 2 2.631 6.069 -3.219 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.726 7.683 -5.577 1.00 0.00 H HETATM 25 HB3 ALN A 2 3.376 7.082 -5.499 1.00 0.00 H HETATM 26 HD1 ALN A 2 -0.171 6.055 -5.470 1.00 0.00 H HETATM 27 HE1 ALN A 2 -0.943 3.885 -6.347 1.00 0.00 H HETATM 28 HZ1 ALN A 2 0.706 2.198 -7.063 1.00 0.00 H HETATM 29 HG2 ALN A 2 4.530 5.847 -5.630 1.00 0.00 H HETATM 30 HD3 ALN A 2 6.172 4.160 -6.338 1.00 0.00 H HETATM 31 HE3 ALN A 2 5.401 1.988 -7.211 1.00 0.00 H HETATM 32 HZ2 ALN A 2 2.986 1.518 -7.373 1.00 0.00 H ATOM 33 N LYS A 3 2.882 9.335 -3.156 1.00 0.00 N ATOM 34 CA LYS A 3 3.760 10.434 -2.765 1.00 0.00 C ATOM 35 C LYS A 3 4.229 10.298 -1.319 1.00 0.00 C ATOM 36 O LYS A 3 5.432 10.284 -1.063 1.00 0.00 O ATOM 37 CB LYS A 3 3.072 11.784 -2.973 1.00 0.00 C ATOM 38 CG LYS A 3 4.051 12.944 -3.078 1.00 0.00 C ATOM 39 CD LYS A 3 4.076 13.784 -1.810 1.00 0.00 C ATOM 40 CE LYS A 3 5.496 14.106 -1.369 1.00 0.00 C ATOM 41 NZ LYS A 3 5.958 13.223 -0.299 1.00 0.00 N ATOM 42 H LYS A 3 1.962 9.528 -3.438 1.00 0.00 H ATOM 43 HA LYS A 3 4.629 10.391 -3.406 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.489 11.744 -3.878 1.00 0.00 H ATOM 45 HB3 LYS A 3 2.412 11.971 -2.137 1.00 0.00 H ATOM 46 HG2 LYS A 3 5.040 12.550 -3.254 1.00 0.00 H ATOM 47 HG3 LYS A 3 3.759 13.571 -3.908 1.00 0.00 H ATOM 48 HD2 LYS A 3 3.555 14.710 -1.998 1.00 0.00 H ATOM 49 HD3 LYS A 3 3.576 13.243 -1.020 1.00 0.00 H ATOM 50 HE2 LYS A 3 6.155 14.003 -2.218 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.523 15.126 -1.015 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.280 12.849 0.304 1.00 0.00 H ATOM 53 N ASP A 4 3.289 10.196 -0.373 1.00 0.00 N ATOM 54 CA ASP A 4 3.656 10.058 1.043 1.00 0.00 C ATOM 55 C ASP A 4 4.527 8.819 1.258 1.00 0.00 C ATOM 56 O ASP A 4 5.469 8.850 2.049 1.00 0.00 O ATOM 57 CB ASP A 4 2.421 10.016 1.957 1.00 0.00 C ATOM 58 CG ASP A 4 1.451 8.903 1.607 1.00 0.00 C ATOM 59 OD1 ASP A 4 0.683 9.074 0.639 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.470 7.857 2.291 1.00 0.00 O ATOM 61 H ASP A 4 2.341 10.211 -0.629 1.00 0.00 H ATOM 62 HA ASP A 4 4.245 10.928 1.304 1.00 0.00 H ATOM 63 HB2 ASP A 4 2.745 9.876 2.978 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.897 10.958 1.879 1.00 0.00 H ATOM 65 N GLU A 5 4.219 7.740 0.531 1.00 0.00 N ATOM 66 CA GLU A 5 4.993 6.504 0.625 1.00 0.00 C ATOM 67 C GLU A 5 6.442 6.738 0.199 1.00 0.00 C ATOM 68 O GLU A 5 7.368 6.225 0.826 1.00 0.00 O ATOM 69 CB GLU A 5 4.365 5.400 -0.234 1.00 0.00 C ATOM 70 CG GLU A 5 3.056 4.853 0.328 1.00 0.00 C ATOM 71 CD GLU A 5 3.214 4.128 1.659 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.360 3.989 2.145 1.00 0.00 O ATOM 73 OE2 GLU A 5 2.184 3.691 2.212 1.00 0.00 O ATOM 74 H GLU A 5 3.466 7.785 -0.096 1.00 0.00 H ATOM 75 HA GLU A 5 4.985 6.191 1.658 1.00 0.00 H ATOM 76 HB2 GLU A 5 4.169 5.795 -1.221 1.00 0.00 H ATOM 77 HB3 GLU A 5 5.066 4.581 -0.317 1.00 0.00 H ATOM 78 HG2 GLU A 5 2.371 5.675 0.468 1.00 0.00 H ATOM 79 HG3 GLU A 5 2.638 4.162 -0.391 1.00 0.00 H ATOM 80 N PHE A 6 6.633 7.516 -0.869 1.00 0.00 N ATOM 81 CA PHE A 6 7.970 7.816 -1.370 1.00 0.00 C ATOM 82 C PHE A 6 8.682 8.807 -0.444 1.00 0.00 C ATOM 83 O PHE A 6 9.828 8.583 -0.055 1.00 0.00 O ATOM 84 CB PHE A 6 7.894 8.385 -2.787 1.00 0.00 C ATOM 85 CG PHE A 6 9.137 8.151 -3.600 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.551 6.861 -3.891 1.00 0.00 C ATOM 87 CD2 PHE A 6 9.891 9.215 -4.073 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.689 6.635 -4.641 1.00 0.00 C ATOM 89 CE2 PHE A 6 11.032 8.995 -4.823 1.00 0.00 C ATOM 90 CZ PHE A 6 11.430 7.703 -5.107 1.00 0.00 C ATOM 91 H PHE A 6 5.855 7.900 -1.328 1.00 0.00 H ATOM 92 HA PHE A 6 8.530 6.892 -1.391 1.00 0.00 H ATOM 93 HB2 PHE A 6 7.067 7.926 -3.307 1.00 0.00 H ATOM 94 HB3 PHE A 6 7.728 9.452 -2.729 1.00 0.00 H ATOM 95 HD1 PHE A 6 8.971 6.024 -3.529 1.00 0.00 H ATOM 96 HD2 PHE A 6 9.580 10.225 -3.850 1.00 0.00 H ATOM 97 HE1 PHE A 6 10.999 5.624 -4.861 1.00 0.00 H ATOM 98 HE2 PHE A 6 11.611 9.830 -5.186 1.00 0.00 H ATOM 99 HZ PHE A 6 12.319 7.527 -5.695 1.00 0.00 H ATOM 100 N ASP A 7 7.987 9.898 -0.090 1.00 0.00 N ATOM 101 CA ASP A 7 8.548 10.920 0.800 1.00 0.00 C ATOM 102 C ASP A 7 9.029 10.317 2.119 1.00 0.00 C ATOM 103 O ASP A 7 10.051 10.735 2.661 1.00 0.00 O ATOM 104 CB ASP A 7 7.522 12.020 1.101 1.00 0.00 C ATOM 105 CG ASP A 7 7.240 12.928 -0.081 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.162 13.383 -0.763 1.00 0.00 O ATOM 107 H ASP A 7 7.074 10.012 -0.430 1.00 0.00 H ATOM 108 HA ASP A 7 9.393 11.361 0.296 1.00 0.00 H ATOM 109 HB2 ASP A 7 6.592 11.560 1.402 1.00 0.00 H ATOM 110 HB3 ASP A 7 7.890 12.628 1.915 1.00 0.00 H ATOM 111 N LYS A 8 8.282 9.346 2.639 1.00 0.00 N ATOM 112 CA LYS A 8 8.631 8.700 3.902 1.00 0.00 C ATOM 113 C LYS A 8 9.755 7.673 3.729 1.00 0.00 C ATOM 114 O LYS A 8 10.684 7.622 4.538 1.00 0.00 O ATOM 115 CB LYS A 8 7.391 8.034 4.509 1.00 0.00 C ATOM 116 CG LYS A 8 7.679 7.233 5.771 1.00 0.00 C ATOM 117 CD LYS A 8 8.381 8.074 6.831 1.00 0.00 C ATOM 118 CE LYS A 8 9.091 7.198 7.848 1.00 0.00 C ATOM 119 NZ LYS A 8 10.108 6.366 7.208 1.00 0.00 N ATOM 120 H LYS A 8 7.471 9.061 2.167 1.00 0.00 H ATOM 121 HA LYS A 8 8.974 9.469 4.576 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.669 8.799 4.750 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.964 7.365 3.776 1.00 0.00 H ATOM 124 HG2 LYS A 8 6.745 6.875 6.177 1.00 0.00 H ATOM 125 HG3 LYS A 8 8.305 6.393 5.515 1.00 0.00 H ATOM 126 HD2 LYS A 8 9.108 8.710 6.350 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.647 8.682 7.339 1.00 0.00 H ATOM 128 HE2 LYS A 8 9.562 7.828 8.587 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.364 6.560 8.328 1.00 0.00 H ATOM 130 HZ1 LYS A 8 9.831 5.837 6.431 1.00 0.00 H ATOM 131 N SER A 9 9.664 6.855 2.680 1.00 0.00 N ATOM 132 CA SER A 9 10.673 5.826 2.416 1.00 0.00 C ATOM 133 C SER A 9 12.039 6.431 2.086 1.00 0.00 C ATOM 134 O SER A 9 13.066 5.912 2.515 1.00 0.00 O ATOM 135 CB SER A 9 10.227 4.911 1.271 1.00 0.00 C ATOM 136 OG SER A 9 9.057 4.187 1.614 1.00 0.00 O ATOM 137 H SER A 9 8.899 6.941 2.074 1.00 0.00 H ATOM 138 HA SER A 9 10.769 5.233 3.313 1.00 0.00 H ATOM 139 HB2 SER A 9 10.021 5.508 0.395 1.00 0.00 H ATOM 140 HB3 SER A 9 11.017 4.209 1.048 1.00 0.00 H ATOM 141 HG SER A 9 8.299 4.778 1.619 1.00 0.00 H ATOM 142 N ILE A 10 12.047 7.520 1.315 1.00 0.00 N ATOM 143 CA ILE A 10 13.294 8.180 0.922 1.00 0.00 C ATOM 144 C ILE A 10 14.194 8.473 2.129 1.00 0.00 C ATOM 145 O ILE A 10 15.420 8.394 2.026 1.00 0.00 O ATOM 146 CB ILE A 10 13.026 9.495 0.144 1.00 0.00 C ATOM 147 CG1 ILE A 10 14.319 10.029 -0.477 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.404 10.549 1.046 1.00 0.00 C ATOM 149 CD1 ILE A 10 14.904 9.110 -1.526 1.00 0.00 C ATOM 150 H ILE A 10 11.196 7.885 0.995 1.00 0.00 H ATOM 151 HA ILE A 10 13.820 7.506 0.262 1.00 0.00 H ATOM 152 HB ILE A 10 12.323 9.279 -0.647 1.00 0.00 H ATOM 153 HG12 ILE A 10 14.120 10.983 -0.945 1.00 0.00 H ATOM 154 HG13 ILE A 10 15.057 10.161 0.300 1.00 0.00 H ATOM 155 HG21 ILE A 10 12.028 10.080 1.941 1.00 0.00 H ATOM 156 HG22 ILE A 10 11.591 11.033 0.525 1.00 0.00 H ATOM 157 HG23 ILE A 10 13.151 11.284 1.311 1.00 0.00 H ATOM 158 HD11 ILE A 10 15.282 8.217 -1.051 1.00 0.00 H ATOM 159 HD12 ILE A 10 15.708 9.614 -2.040 1.00 0.00 H ATOM 160 HD13 ILE A 10 14.134 8.841 -2.237 1.00 0.00 H ATOM 161 N ARG A 11 13.585 8.816 3.269 1.00 0.00 N ATOM 162 CA ARG A 11 14.353 9.125 4.474 1.00 0.00 C ATOM 163 C ARG A 11 14.571 7.887 5.353 1.00 0.00 C ATOM 164 O ARG A 11 15.703 7.611 5.756 1.00 0.00 O ATOM 165 CB ARG A 11 13.682 10.245 5.273 1.00 0.00 C ATOM 166 CG ARG A 11 13.518 11.534 4.481 1.00 0.00 C ATOM 167 CD ARG A 11 13.213 12.719 5.386 1.00 0.00 C ATOM 168 NE ARG A 11 13.207 13.985 4.652 1.00 0.00 N ATOM 169 CZ ARG A 11 14.290 14.543 4.096 1.00 0.00 C ATOM 170 NH1 ARG A 11 15.492 13.984 4.237 1.00 0.00 N ATOM 171 NH2 ARG A 11 14.171 15.675 3.410 1.00 0.00 N ATOM 172 H ARG A 11 12.607 8.866 3.298 1.00 0.00 H ATOM 173 HA ARG A 11 15.322 9.475 4.150 1.00 0.00 H ATOM 174 HB2 ARG A 11 12.704 9.912 5.590 1.00 0.00 H ATOM 175 HB3 ARG A 11 14.282 10.458 6.145 1.00 0.00 H ATOM 176 HG2 ARG A 11 14.429 11.734 3.936 1.00 0.00 H ATOM 177 HG3 ARG A 11 12.702 11.411 3.783 1.00 0.00 H ATOM 178 HD2 ARG A 11 12.244 12.570 5.838 1.00 0.00 H ATOM 179 HD3 ARG A 11 13.966 12.766 6.159 1.00 0.00 H ATOM 180 HE ARG A 11 12.345 14.439 4.551 1.00 0.00 H ATOM 181 HH11 ARG A 11 15.595 13.140 4.763 1.00 0.00 H ATOM 182 HH12 ARG A 11 16.291 14.406 3.813 1.00 0.00 H ATOM 183 HH21 ARG A 11 13.275 16.108 3.312 1.00 0.00 H ATOM 184 HH22 ARG A 11 14.976 16.094 2.991 1.00 0.00 H ATOM 185 N ASP A 12 13.500 7.137 5.647 1.00 0.00 N ATOM 186 CA ASP A 12 13.624 5.931 6.477 1.00 0.00 C ATOM 187 C ASP A 12 14.469 4.876 5.770 1.00 0.00 C ATOM 188 O ASP A 12 15.481 4.418 6.303 1.00 0.00 O ATOM 189 CB ASP A 12 12.254 5.335 6.816 1.00 0.00 C ATOM 190 CG ASP A 12 11.371 6.271 7.619 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.811 6.875 8.600 1.00 0.00 O ATOM 192 H ASP A 12 12.620 7.394 5.300 1.00 0.00 H ATOM 193 HA ASP A 12 14.120 6.213 7.396 1.00 0.00 H ATOM 194 HB2 ASP A 12 11.739 5.094 5.897 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.397 4.429 7.384 1.00 0.00 H ATOM 196 N VAL A 13 14.045 4.502 4.565 1.00 0.00 N ATOM 197 CA VAL A 13 14.755 3.506 3.770 1.00 0.00 C ATOM 198 C VAL A 13 16.062 4.078 3.218 1.00 0.00 C ATOM 199 O VAL A 13 17.127 3.485 3.385 1.00 0.00 O ATOM 200 CB VAL A 13 13.888 2.991 2.599 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.626 1.914 1.819 1.00 0.00 C ATOM 202 CG2 VAL A 13 12.552 2.467 3.107 1.00 0.00 C ATOM 203 H VAL A 13 13.231 4.912 4.197 1.00 0.00 H ATOM 204 HA VAL A 13 14.985 2.670 4.415 1.00 0.00 H ATOM 205 HB VAL A 13 13.695 3.818 1.930 1.00 0.00 H ATOM 206 HG11 VAL A 13 13.912 1.301 1.289 1.00 0.00 H ATOM 207 HG12 VAL A 13 15.191 1.299 2.503 1.00 0.00 H ATOM 208 HG13 VAL A 13 15.297 2.378 1.112 1.00 0.00 H ATOM 209 HG21 VAL A 13 12.204 1.678 2.457 1.00 0.00 H ATOM 210 HG22 VAL A 13 11.830 3.270 3.117 1.00 0.00 H ATOM 211 HG23 VAL A 13 12.676 2.081 4.108 1.00 0.00 H HETATM 212 N NH2 A 14 15.980 5.237 2.565 1.00 0.00 N HETATM 213 HN1 NH2 A 14 15.099 5.653 2.467 1.00 0.00 H HETATM 214 HN2 NH2 A 14 16.806 5.624 2.209 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 11 HETATM 1 C ACE A 1 0.601 7.990 -1.506 1.00 0.00 C HETATM 2 O ACE A 1 1.618 7.580 -0.947 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.568 8.224 -0.767 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.818 7.336 -0.201 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.378 8.466 -1.437 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.409 9.049 -0.092 1.00 0.00 H HETATM 7 N ALN A 2 0.553 8.237 -2.819 1.00 0.00 N HETATM 8 CA ALN A 2 1.714 8.029 -3.687 1.00 0.00 C HETATM 9 C ALN A 2 2.956 8.699 -3.098 1.00 0.00 C HETATM 10 O ALN A 2 4.002 8.066 -2.946 1.00 0.00 O HETATM 11 CB ALN A 2 1.443 8.590 -5.085 1.00 0.00 C HETATM 12 CG1 ALN A 2 2.425 8.120 -6.125 1.00 0.00 C HETATM 13 CD1 ALN A 2 2.293 6.851 -6.667 1.00 0.00 C HETATM 14 CE1 ALN A 2 3.177 6.404 -7.629 1.00 0.00 C HETATM 15 CD2 ALN A 2 3.458 8.949 -6.554 1.00 0.00 C HETATM 16 CE2 ALN A 2 4.342 8.499 -7.521 1.00 0.00 C HETATM 17 CZ1 ALN A 2 4.199 7.229 -8.053 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.619 10.222 -6.023 1.00 0.00 C HETATM 19 CD3 ALN A 2 4.650 11.037 -6.452 1.00 0.00 C HETATM 20 CE3 ALN A 2 5.529 10.583 -7.416 1.00 0.00 C HETATM 21 CZ2 ALN A 2 5.371 9.318 -7.947 1.00 0.00 C HETATM 22 H ALN A 2 -0.281 8.568 -3.211 1.00 0.00 H HETATM 23 HA ALN A 2 1.891 6.968 -3.759 1.00 0.00 H HETATM 24 HB2 ALN A 2 0.456 8.283 -5.401 1.00 0.00 H HETATM 25 HB3 ALN A 2 1.481 9.668 -5.049 1.00 0.00 H HETATM 26 HD1 ALN A 2 1.492 6.210 -6.330 1.00 0.00 H HETATM 27 HE1 ALN A 2 3.069 5.415 -8.049 1.00 0.00 H HETATM 28 HZ1 ALN A 2 4.892 6.886 -8.807 1.00 0.00 H HETATM 29 HG2 ALN A 2 2.933 10.576 -5.269 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.769 12.025 -6.034 1.00 0.00 H HETATM 31 HE3 ALN A 2 6.337 11.216 -7.754 1.00 0.00 H HETATM 32 HZ2 ALN A 2 6.056 8.959 -8.701 1.00 0.00 H ATOM 33 N LYS A 3 2.820 9.979 -2.754 1.00 0.00 N ATOM 34 CA LYS A 3 3.918 10.745 -2.163 1.00 0.00 C ATOM 35 C LYS A 3 4.335 10.167 -0.816 1.00 0.00 C ATOM 36 O LYS A 3 5.517 9.942 -0.572 1.00 0.00 O ATOM 37 CB LYS A 3 3.513 12.209 -1.982 1.00 0.00 C ATOM 38 CG LYS A 3 4.127 13.143 -3.005 1.00 0.00 C ATOM 39 CD LYS A 3 5.639 13.231 -2.854 1.00 0.00 C ATOM 40 CE LYS A 3 6.052 13.837 -1.516 1.00 0.00 C ATOM 41 NZ LYS A 3 6.369 12.824 -0.505 1.00 0.00 N ATOM 42 H LYS A 3 1.955 10.417 -2.892 1.00 0.00 H ATOM 43 HA LYS A 3 4.759 10.695 -2.838 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.438 12.286 -2.057 1.00 0.00 H ATOM 45 HB3 LYS A 3 3.818 12.537 -1.000 1.00 0.00 H ATOM 46 HG2 LYS A 3 3.897 12.778 -3.995 1.00 0.00 H ATOM 47 HG3 LYS A 3 3.703 14.128 -2.876 1.00 0.00 H ATOM 48 HD2 LYS A 3 6.056 12.238 -2.928 1.00 0.00 H ATOM 49 HD3 LYS A 3 6.029 13.842 -3.649 1.00 0.00 H ATOM 50 HE2 LYS A 3 6.922 14.457 -1.672 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.239 14.450 -1.151 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.631 12.281 -0.157 1.00 0.00 H ATOM 53 N ASP A 4 3.352 9.942 0.053 1.00 0.00 N ATOM 54 CA ASP A 4 3.598 9.398 1.393 1.00 0.00 C ATOM 55 C ASP A 4 4.537 8.192 1.353 1.00 0.00 C ATOM 56 O ASP A 4 5.419 8.058 2.203 1.00 0.00 O ATOM 57 CB ASP A 4 2.278 8.995 2.062 1.00 0.00 C ATOM 58 CG ASP A 4 1.338 10.169 2.278 1.00 0.00 C ATOM 59 OD1 ASP A 4 0.923 10.793 1.279 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.013 10.460 3.449 1.00 0.00 O ATOM 61 H ASP A 4 2.433 10.157 -0.210 1.00 0.00 H ATOM 62 HA ASP A 4 4.062 10.176 1.982 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.776 8.270 1.440 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.494 8.548 3.022 1.00 0.00 H ATOM 65 N GLU A 5 4.340 7.314 0.368 1.00 0.00 N ATOM 66 CA GLU A 5 5.168 6.117 0.231 1.00 0.00 C ATOM 67 C GLU A 5 6.583 6.441 -0.255 1.00 0.00 C ATOM 68 O GLU A 5 7.555 5.975 0.340 1.00 0.00 O ATOM 69 CB GLU A 5 4.502 5.099 -0.699 1.00 0.00 C ATOM 70 CG GLU A 5 3.611 4.099 0.032 1.00 0.00 C ATOM 71 CD GLU A 5 2.505 4.755 0.840 1.00 0.00 C ATOM 72 OE1 GLU A 5 1.524 5.230 0.232 1.00 0.00 O ATOM 73 OE2 GLU A 5 2.624 4.799 2.083 1.00 0.00 O ATOM 74 H GLU A 5 3.620 7.472 -0.278 1.00 0.00 H ATOM 75 HA GLU A 5 5.247 5.674 1.213 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.897 5.628 -1.420 1.00 0.00 H ATOM 77 HB3 GLU A 5 5.270 4.547 -1.221 1.00 0.00 H ATOM 78 HG2 GLU A 5 3.156 3.446 -0.697 1.00 0.00 H ATOM 79 HG3 GLU A 5 4.225 3.515 0.700 1.00 0.00 H ATOM 80 N PHE A 6 6.708 7.233 -1.327 1.00 0.00 N ATOM 81 CA PHE A 6 8.033 7.590 -1.853 1.00 0.00 C ATOM 82 C PHE A 6 8.797 8.494 -0.888 1.00 0.00 C ATOM 83 O PHE A 6 9.976 8.261 -0.614 1.00 0.00 O ATOM 84 CB PHE A 6 7.940 8.245 -3.237 1.00 0.00 C ATOM 85 CG PHE A 6 7.772 7.245 -4.343 1.00 0.00 C ATOM 86 CD1 PHE A 6 8.868 6.545 -4.823 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.526 6.989 -4.888 1.00 0.00 C ATOM 88 CE1 PHE A 6 8.724 5.610 -5.828 1.00 0.00 C ATOM 89 CE2 PHE A 6 6.376 6.053 -5.892 1.00 0.00 C ATOM 90 CZ PHE A 6 7.476 5.365 -6.364 1.00 0.00 C ATOM 91 H PHE A 6 5.903 7.580 -1.767 1.00 0.00 H ATOM 92 HA PHE A 6 8.591 6.671 -1.953 1.00 0.00 H ATOM 93 HB2 PHE A 6 7.094 8.917 -3.259 1.00 0.00 H ATOM 94 HB3 PHE A 6 8.845 8.805 -3.427 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.845 6.738 -4.404 1.00 0.00 H ATOM 96 HD2 PHE A 6 5.666 7.530 -4.522 1.00 0.00 H ATOM 97 HE1 PHE A 6 9.586 5.073 -6.195 1.00 0.00 H ATOM 98 HE2 PHE A 6 5.399 5.860 -6.309 1.00 0.00 H ATOM 99 HZ PHE A 6 7.360 4.632 -7.149 1.00 0.00 H ATOM 100 N ASP A 7 8.123 9.516 -0.363 1.00 0.00 N ATOM 101 CA ASP A 7 8.752 10.435 0.582 1.00 0.00 C ATOM 102 C ASP A 7 9.305 9.679 1.795 1.00 0.00 C ATOM 103 O ASP A 7 10.411 9.965 2.249 1.00 0.00 O ATOM 104 CB ASP A 7 7.765 11.528 1.019 1.00 0.00 C ATOM 105 CG ASP A 7 7.604 12.614 -0.036 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.579 13.263 -0.416 1.00 0.00 O ATOM 107 H ASP A 7 7.183 9.651 -0.610 1.00 0.00 H ATOM 108 HA ASP A 7 9.582 10.904 0.072 1.00 0.00 H ATOM 109 HB2 ASP A 7 6.799 11.083 1.203 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.126 11.987 1.928 1.00 0.00 H ATOM 111 N LYS A 8 8.544 8.704 2.304 1.00 0.00 N ATOM 112 CA LYS A 8 8.984 7.906 3.455 1.00 0.00 C ATOM 113 C LYS A 8 10.060 6.888 3.079 1.00 0.00 C ATOM 114 O LYS A 8 11.009 6.691 3.837 1.00 0.00 O ATOM 115 CB LYS A 8 7.806 7.184 4.113 1.00 0.00 C ATOM 116 CG LYS A 8 7.185 7.956 5.263 1.00 0.00 C ATOM 117 CD LYS A 8 8.169 8.159 6.413 1.00 0.00 C ATOM 118 CE LYS A 8 8.533 6.845 7.104 1.00 0.00 C ATOM 119 NZ LYS A 8 9.751 6.220 6.566 1.00 0.00 N ATOM 120 H LYS A 8 7.676 8.512 1.893 1.00 0.00 H ATOM 121 HA LYS A 8 9.409 8.590 4.174 1.00 0.00 H ATOM 122 HB2 LYS A 8 7.043 7.015 3.370 1.00 0.00 H ATOM 123 HB3 LYS A 8 8.145 6.232 4.489 1.00 0.00 H ATOM 124 HG2 LYS A 8 6.865 8.922 4.904 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.330 7.406 5.629 1.00 0.00 H ATOM 126 HD2 LYS A 8 9.069 8.610 6.025 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.720 8.823 7.139 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.683 7.043 8.155 1.00 0.00 H ATOM 129 HE3 LYS A 8 7.707 6.157 6.987 1.00 0.00 H ATOM 130 HZ1 LYS A 8 9.775 6.019 5.608 1.00 0.00 H ATOM 131 N SER A 9 9.907 6.229 1.927 1.00 0.00 N ATOM 132 CA SER A 9 10.880 5.225 1.493 1.00 0.00 C ATOM 133 C SER A 9 12.300 5.789 1.538 1.00 0.00 C ATOM 134 O SER A 9 13.228 5.107 1.969 1.00 0.00 O ATOM 135 CB SER A 9 10.551 4.710 0.087 1.00 0.00 C ATOM 136 OG SER A 9 10.622 5.745 -0.877 1.00 0.00 O ATOM 137 H SER A 9 9.125 6.413 1.367 1.00 0.00 H ATOM 138 HA SER A 9 10.821 4.398 2.186 1.00 0.00 H ATOM 139 HB2 SER A 9 11.255 3.935 -0.182 1.00 0.00 H ATOM 140 HB3 SER A 9 9.553 4.300 0.084 1.00 0.00 H ATOM 141 HG SER A 9 11.474 5.715 -1.317 1.00 0.00 H ATOM 142 N ILE A 10 12.458 7.044 1.108 1.00 0.00 N ATOM 143 CA ILE A 10 13.764 7.704 1.117 1.00 0.00 C ATOM 144 C ILE A 10 14.112 8.234 2.517 1.00 0.00 C ATOM 145 O ILE A 10 15.243 8.079 2.980 1.00 0.00 O ATOM 146 CB ILE A 10 13.814 8.877 0.107 1.00 0.00 C ATOM 147 CG1 ILE A 10 13.441 8.399 -1.303 1.00 0.00 C ATOM 148 CG2 ILE A 10 15.196 9.520 0.098 1.00 0.00 C ATOM 149 CD1 ILE A 10 14.335 7.296 -1.835 1.00 0.00 C ATOM 150 H ILE A 10 11.677 7.540 0.785 1.00 0.00 H ATOM 151 HA ILE A 10 14.506 6.975 0.827 1.00 0.00 H ATOM 152 HB ILE A 10 13.101 9.623 0.425 1.00 0.00 H ATOM 153 HG12 ILE A 10 12.428 8.028 -1.294 1.00 0.00 H ATOM 154 HG13 ILE A 10 13.506 9.235 -1.984 1.00 0.00 H ATOM 155 HG21 ILE A 10 15.359 10.011 -0.851 1.00 0.00 H ATOM 156 HG22 ILE A 10 15.949 8.759 0.243 1.00 0.00 H ATOM 157 HG23 ILE A 10 15.260 10.247 0.893 1.00 0.00 H ATOM 158 HD11 ILE A 10 13.725 6.500 -2.234 1.00 0.00 H ATOM 159 HD12 ILE A 10 14.951 6.913 -1.034 1.00 0.00 H ATOM 160 HD13 ILE A 10 14.965 7.690 -2.617 1.00 0.00 H ATOM 161 N ARG A 11 13.136 8.868 3.178 1.00 0.00 N ATOM 162 CA ARG A 11 13.340 9.433 4.522 1.00 0.00 C ATOM 163 C ARG A 11 13.754 8.371 5.544 1.00 0.00 C ATOM 164 O ARG A 11 14.734 8.546 6.271 1.00 0.00 O ATOM 165 CB ARG A 11 12.056 10.110 5.018 1.00 0.00 C ATOM 166 CG ARG A 11 11.745 11.444 4.359 1.00 0.00 C ATOM 167 CD ARG A 11 12.604 12.561 4.927 1.00 0.00 C ATOM 168 NE ARG A 11 12.125 13.879 4.513 1.00 0.00 N ATOM 169 CZ ARG A 11 10.953 14.403 4.888 1.00 0.00 C ATOM 170 NH1 ARG A 11 10.163 13.751 5.739 1.00 0.00 N ATOM 171 NH2 ARG A 11 10.577 15.589 4.425 1.00 0.00 N ATOM 172 H ARG A 11 12.259 8.967 2.750 1.00 0.00 H ATOM 173 HA ARG A 11 14.120 10.174 4.455 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.224 9.446 4.839 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.145 10.274 6.083 1.00 0.00 H ATOM 176 HG2 ARG A 11 11.936 11.366 3.299 1.00 0.00 H ATOM 177 HG3 ARG A 11 10.705 11.682 4.523 1.00 0.00 H ATOM 178 HD2 ARG A 11 12.585 12.502 6.006 1.00 0.00 H ATOM 179 HD3 ARG A 11 13.617 12.429 4.578 1.00 0.00 H ATOM 180 HE ARG A 11 12.697 14.396 3.909 1.00 0.00 H ATOM 181 HH11 ARG A 11 10.445 12.866 6.108 1.00 0.00 H ATOM 182 HH12 ARG A 11 9.286 14.147 6.010 1.00 0.00 H ATOM 183 HH21 ARG A 11 11.171 16.094 3.797 1.00 0.00 H ATOM 184 HH22 ARG A 11 9.698 15.979 4.703 1.00 0.00 H ATOM 185 N ASP A 12 12.978 7.291 5.614 1.00 0.00 N ATOM 186 CA ASP A 12 13.223 6.211 6.567 1.00 0.00 C ATOM 187 C ASP A 12 14.523 5.441 6.285 1.00 0.00 C ATOM 188 O ASP A 12 15.262 5.127 7.220 1.00 0.00 O ATOM 189 CB ASP A 12 12.008 5.275 6.608 1.00 0.00 C ATOM 190 CG ASP A 12 10.819 5.919 7.316 1.00 0.00 C ATOM 191 OD1 ASP A 12 10.867 6.149 8.527 1.00 0.00 O ATOM 192 H ASP A 12 12.198 7.230 5.022 1.00 0.00 H ATOM 193 HA ASP A 12 13.321 6.670 7.541 1.00 0.00 H ATOM 194 HB2 ASP A 12 11.714 5.030 5.599 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.271 4.370 7.135 1.00 0.00 H ATOM 196 N VAL A 13 14.812 5.140 5.012 1.00 0.00 N ATOM 197 CA VAL A 13 16.043 4.410 4.670 1.00 0.00 C ATOM 198 C VAL A 13 17.288 5.275 4.897 1.00 0.00 C ATOM 199 O VAL A 13 18.308 4.792 5.388 1.00 0.00 O ATOM 200 CB VAL A 13 16.041 3.893 3.208 1.00 0.00 C ATOM 201 CG1 VAL A 13 16.087 5.044 2.211 1.00 0.00 C ATOM 202 CG2 VAL A 13 17.205 2.938 2.979 1.00 0.00 C ATOM 203 H VAL A 13 14.198 5.414 4.299 1.00 0.00 H ATOM 204 HA VAL A 13 16.102 3.551 5.325 1.00 0.00 H ATOM 205 HB VAL A 13 15.124 3.348 3.045 1.00 0.00 H ATOM 206 HG11 VAL A 13 15.742 4.697 1.247 1.00 0.00 H ATOM 207 HG12 VAL A 13 17.101 5.404 2.120 1.00 0.00 H ATOM 208 HG13 VAL A 13 15.450 5.845 2.554 1.00 0.00 H ATOM 209 HG21 VAL A 13 17.350 2.329 3.859 1.00 0.00 H ATOM 210 HG22 VAL A 13 18.104 3.505 2.782 1.00 0.00 H ATOM 211 HG23 VAL A 13 16.989 2.303 2.133 1.00 0.00 H HETATM 212 N NH2 A 14 17.207 6.553 4.537 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.365 6.875 4.151 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.993 7.121 4.671 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 12 HETATM 1 C ACE A 1 0.563 7.583 -1.492 1.00 0.00 C HETATM 2 O ACE A 1 1.458 7.213 -0.727 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.673 8.008 -0.986 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.812 9.057 -1.212 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.696 7.863 0.083 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.466 7.433 -1.438 1.00 0.00 H HETATM 7 N ALN A 2 0.713 7.601 -2.819 1.00 0.00 N HETATM 8 CA ALN A 2 1.960 7.180 -3.461 1.00 0.00 C HETATM 9 C ALN A 2 3.126 8.071 -3.034 1.00 0.00 C HETATM 10 O ALN A 2 4.238 7.589 -2.816 1.00 0.00 O HETATM 11 CB ALN A 2 1.826 7.211 -4.986 1.00 0.00 C HETATM 12 CG1 ALN A 2 2.973 6.541 -5.697 1.00 0.00 C HETATM 13 CD1 ALN A 2 3.134 5.168 -5.589 1.00 0.00 C HETATM 14 CE1 ALN A 2 4.178 4.531 -6.229 1.00 0.00 C HETATM 15 CD2 ALN A 2 3.876 7.283 -6.458 1.00 0.00 C HETATM 16 CE2 ALN A 2 4.924 6.640 -7.098 1.00 0.00 C HETATM 17 CZ1 ALN A 2 5.071 5.268 -6.981 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.742 8.659 -6.582 1.00 0.00 C HETATM 19 CD3 ALN A 2 4.644 9.388 -7.336 1.00 0.00 C HETATM 20 CE3 ALN A 2 5.687 8.743 -7.973 1.00 0.00 C HETATM 21 CZ2 ALN A 2 5.825 7.374 -7.852 1.00 0.00 C HETATM 22 H ALN A 2 -0.032 7.906 -3.380 1.00 0.00 H HETATM 23 HA ALN A 2 2.165 6.168 -3.148 1.00 0.00 H HETATM 24 HB2 ALN A 2 0.916 6.701 -5.270 1.00 0.00 H HETATM 25 HB3 ALN A 2 1.775 8.236 -5.316 1.00 0.00 H HETATM 26 HD1 ALN A 2 2.433 4.596 -4.999 1.00 0.00 H HETATM 27 HE1 ALN A 2 4.297 3.461 -6.141 1.00 0.00 H HETATM 28 HZ1 ALN A 2 5.890 4.775 -7.483 1.00 0.00 H HETATM 29 HG2 ALN A 2 2.928 9.163 -6.085 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.532 10.458 -7.427 1.00 0.00 H HETATM 31 HE3 ALN A 2 6.393 9.308 -8.563 1.00 0.00 H HETATM 32 HZ2 ALN A 2 6.639 6.868 -8.349 1.00 0.00 H ATOM 33 N LYS A 3 2.866 9.375 -2.922 1.00 0.00 N ATOM 34 CA LYS A 3 3.897 10.328 -2.520 1.00 0.00 C ATOM 35 C LYS A 3 4.328 10.058 -1.077 1.00 0.00 C ATOM 36 O LYS A 3 5.519 9.952 -0.789 1.00 0.00 O ATOM 37 CB LYS A 3 3.378 11.770 -2.653 1.00 0.00 C ATOM 38 CG LYS A 3 4.467 12.808 -2.920 1.00 0.00 C ATOM 39 CD LYS A 3 5.622 12.703 -1.933 1.00 0.00 C ATOM 40 CE LYS A 3 5.190 13.006 -0.503 1.00 0.00 C ATOM 41 NZ LYS A 3 5.994 12.271 0.475 1.00 0.00 N ATOM 42 H LYS A 3 1.962 9.700 -3.112 1.00 0.00 H ATOM 43 HA LYS A 3 4.748 10.195 -3.172 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.671 11.809 -3.468 1.00 0.00 H ATOM 45 HB3 LYS A 3 2.871 12.041 -1.738 1.00 0.00 H ATOM 46 HG2 LYS A 3 4.850 12.660 -3.918 1.00 0.00 H ATOM 47 HG3 LYS A 3 4.031 13.794 -2.846 1.00 0.00 H ATOM 48 HD2 LYS A 3 6.025 11.704 -1.972 1.00 0.00 H ATOM 49 HD3 LYS A 3 6.388 13.409 -2.223 1.00 0.00 H ATOM 50 HE2 LYS A 3 5.301 14.065 -0.323 1.00 0.00 H ATOM 51 HE3 LYS A 3 4.153 12.729 -0.385 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.512 11.755 1.154 1.00 0.00 H ATOM 53 N ASP A 4 3.343 9.945 -0.178 1.00 0.00 N ATOM 54 CA ASP A 4 3.604 9.690 1.243 1.00 0.00 C ATOM 55 C ASP A 4 4.577 8.527 1.438 1.00 0.00 C ATOM 56 O ASP A 4 5.570 8.658 2.157 1.00 0.00 O ATOM 57 CB ASP A 4 2.294 9.400 1.987 1.00 0.00 C ATOM 58 CG ASP A 4 1.325 10.570 1.953 1.00 0.00 C ATOM 59 OD1 ASP A 4 0.862 10.930 0.849 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.029 11.125 3.031 1.00 0.00 O ATOM 61 H ASP A 4 2.415 10.039 -0.479 1.00 0.00 H ATOM 62 HA ASP A 4 4.047 10.582 1.659 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.813 8.547 1.533 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.519 9.172 3.019 1.00 0.00 H ATOM 65 N GLU A 5 4.293 7.395 0.791 1.00 0.00 N ATOM 66 CA GLU A 5 5.155 6.216 0.892 1.00 0.00 C ATOM 67 C GLU A 5 6.537 6.496 0.296 1.00 0.00 C ATOM 68 O GLU A 5 7.552 6.044 0.828 1.00 0.00 O ATOM 69 CB GLU A 5 4.508 5.008 0.200 1.00 0.00 C ATOM 70 CG GLU A 5 4.210 5.227 -1.276 1.00 0.00 C ATOM 71 CD GLU A 5 3.541 4.032 -1.928 1.00 0.00 C ATOM 72 OE1 GLU A 5 2.421 3.673 -1.506 1.00 0.00 O ATOM 73 OE2 GLU A 5 4.136 3.457 -2.864 1.00 0.00 O ATOM 74 H GLU A 5 3.490 7.354 0.228 1.00 0.00 H ATOM 75 HA GLU A 5 5.275 5.991 1.942 1.00 0.00 H ATOM 76 HB2 GLU A 5 5.173 4.161 0.288 1.00 0.00 H ATOM 77 HB3 GLU A 5 3.580 4.777 0.702 1.00 0.00 H ATOM 78 HG2 GLU A 5 3.556 6.079 -1.372 1.00 0.00 H ATOM 79 HG3 GLU A 5 5.138 5.427 -1.791 1.00 0.00 H ATOM 80 N PHE A 6 6.567 7.250 -0.808 1.00 0.00 N ATOM 81 CA PHE A 6 7.819 7.600 -1.479 1.00 0.00 C ATOM 82 C PHE A 6 8.715 8.452 -0.572 1.00 0.00 C ATOM 83 O PHE A 6 9.924 8.224 -0.494 1.00 0.00 O ATOM 84 CB PHE A 6 7.527 8.348 -2.786 1.00 0.00 C ATOM 85 CG PHE A 6 8.758 8.720 -3.567 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.756 7.788 -3.806 1.00 0.00 C ATOM 87 CD2 PHE A 6 8.915 10.005 -4.063 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.886 8.130 -4.523 1.00 0.00 C ATOM 89 CE2 PHE A 6 10.043 10.352 -4.781 1.00 0.00 C ATOM 90 CZ PHE A 6 11.030 9.414 -5.012 1.00 0.00 C ATOM 91 H PHE A 6 5.722 7.582 -1.180 1.00 0.00 H ATOM 92 HA PHE A 6 8.336 6.681 -1.710 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.913 7.724 -3.417 1.00 0.00 H ATOM 94 HB3 PHE A 6 6.990 9.257 -2.558 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.645 6.783 -3.425 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.144 10.740 -3.884 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.657 7.395 -4.702 1.00 0.00 H ATOM 98 HE2 PHE A 6 10.153 11.357 -5.162 1.00 0.00 H ATOM 99 HZ PHE A 6 11.912 9.684 -5.573 1.00 0.00 H ATOM 100 N ASP A 7 8.117 9.431 0.113 1.00 0.00 N ATOM 101 CA ASP A 7 8.869 10.307 1.014 1.00 0.00 C ATOM 102 C ASP A 7 9.492 9.503 2.155 1.00 0.00 C ATOM 103 O ASP A 7 10.650 9.712 2.505 1.00 0.00 O ATOM 104 CB ASP A 7 7.969 11.414 1.580 1.00 0.00 C ATOM 105 CG ASP A 7 7.327 12.252 0.489 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.020 12.860 -0.329 1.00 0.00 O ATOM 107 H ASP A 7 7.151 9.565 0.012 1.00 0.00 H ATOM 108 HA ASP A 7 9.663 10.762 0.441 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.185 10.964 2.172 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.561 12.064 2.208 1.00 0.00 H ATOM 111 N LYS A 8 8.715 8.581 2.727 1.00 0.00 N ATOM 112 CA LYS A 8 9.195 7.741 3.825 1.00 0.00 C ATOM 113 C LYS A 8 10.264 6.752 3.362 1.00 0.00 C ATOM 114 O LYS A 8 11.251 6.532 4.063 1.00 0.00 O ATOM 115 CB LYS A 8 8.031 6.988 4.475 1.00 0.00 C ATOM 116 CG LYS A 8 7.191 7.849 5.405 1.00 0.00 C ATOM 117 CD LYS A 8 8.024 8.478 6.522 1.00 0.00 C ATOM 118 CE LYS A 8 8.554 7.443 7.512 1.00 0.00 C ATOM 119 NZ LYS A 8 9.750 6.740 7.031 1.00 0.00 N ATOM 120 H LYS A 8 7.799 8.459 2.400 1.00 0.00 H ATOM 121 HA LYS A 8 9.636 8.395 4.562 1.00 0.00 H ATOM 122 HB2 LYS A 8 7.386 6.610 3.695 1.00 0.00 H ATOM 123 HB3 LYS A 8 8.419 6.155 5.038 1.00 0.00 H ATOM 124 HG2 LYS A 8 6.732 8.638 4.830 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.422 7.233 5.848 1.00 0.00 H ATOM 126 HD2 LYS A 8 8.861 8.996 6.083 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.406 9.185 7.057 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.798 7.945 8.436 1.00 0.00 H ATOM 129 HE3 LYS A 8 7.776 6.717 7.699 1.00 0.00 H ATOM 130 HZ1 LYS A 8 9.660 6.185 6.231 1.00 0.00 H ATOM 131 N SER A 9 10.062 6.151 2.188 1.00 0.00 N ATOM 132 CA SER A 9 11.015 5.179 1.650 1.00 0.00 C ATOM 133 C SER A 9 12.414 5.785 1.502 1.00 0.00 C ATOM 134 O SER A 9 13.412 5.116 1.763 1.00 0.00 O ATOM 135 CB SER A 9 10.531 4.633 0.301 1.00 0.00 C ATOM 136 OG SER A 9 10.438 5.658 -0.672 1.00 0.00 O ATOM 137 H SER A 9 9.253 6.361 1.676 1.00 0.00 H ATOM 138 HA SER A 9 11.073 4.361 2.352 1.00 0.00 H ATOM 139 HB2 SER A 9 11.225 3.885 -0.051 1.00 0.00 H ATOM 140 HB3 SER A 9 9.556 4.185 0.428 1.00 0.00 H ATOM 141 HG SER A 9 9.984 5.323 -1.448 1.00 0.00 H ATOM 142 N ILE A 10 12.485 7.048 1.077 1.00 0.00 N ATOM 143 CA ILE A 10 13.772 7.721 0.896 1.00 0.00 C ATOM 144 C ILE A 10 14.268 8.391 2.190 1.00 0.00 C ATOM 145 O ILE A 10 15.467 8.381 2.471 1.00 0.00 O ATOM 146 CB ILE A 10 13.719 8.760 -0.255 1.00 0.00 C ATOM 147 CG1 ILE A 10 15.095 9.410 -0.454 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.650 9.817 0.001 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.131 10.438 -1.566 1.00 0.00 C ATOM 150 H ILE A 10 11.657 7.535 0.878 1.00 0.00 H ATOM 151 HA ILE A 10 14.490 6.963 0.617 1.00 0.00 H ATOM 152 HB ILE A 10 13.450 8.235 -1.160 1.00 0.00 H ATOM 153 HG12 ILE A 10 15.389 9.902 0.460 1.00 0.00 H ATOM 154 HG13 ILE A 10 15.816 8.641 -0.690 1.00 0.00 H ATOM 155 HG21 ILE A 10 11.935 9.807 -0.809 1.00 0.00 H ATOM 156 HG22 ILE A 10 13.112 10.791 0.060 1.00 0.00 H ATOM 157 HG23 ILE A 10 12.145 9.602 0.928 1.00 0.00 H ATOM 158 HD11 ILE A 10 14.648 11.345 -1.233 1.00 0.00 H ATOM 159 HD12 ILE A 10 14.613 10.052 -2.432 1.00 0.00 H ATOM 160 HD13 ILE A 10 16.157 10.652 -1.825 1.00 0.00 H ATOM 161 N ARG A 11 13.349 8.979 2.967 1.00 0.00 N ATOM 162 CA ARG A 11 13.713 9.661 4.218 1.00 0.00 C ATOM 163 C ARG A 11 14.052 8.682 5.345 1.00 0.00 C ATOM 164 O ARG A 11 15.136 8.759 5.927 1.00 0.00 O ATOM 165 CB ARG A 11 12.584 10.594 4.676 1.00 0.00 C ATOM 166 CG ARG A 11 12.672 12.018 4.133 1.00 0.00 C ATOM 167 CD ARG A 11 12.805 12.063 2.616 1.00 0.00 C ATOM 168 NE ARG A 11 14.166 11.764 2.166 1.00 0.00 N ATOM 169 CZ ARG A 11 15.224 12.550 2.390 1.00 0.00 C ATOM 170 NH1 ARG A 11 15.086 13.708 3.031 1.00 0.00 N ATOM 171 NH2 ARG A 11 16.425 12.180 1.959 1.00 0.00 N ATOM 172 H ARG A 11 12.409 8.963 2.691 1.00 0.00 H ATOM 173 HA ARG A 11 14.588 10.259 4.015 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.640 10.174 4.363 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.598 10.646 5.755 1.00 0.00 H ATOM 176 HG2 ARG A 11 11.777 12.551 4.416 1.00 0.00 H ATOM 177 HG3 ARG A 11 13.531 12.503 4.574 1.00 0.00 H ATOM 178 HD2 ARG A 11 12.129 11.340 2.187 1.00 0.00 H ATOM 179 HD3 ARG A 11 12.533 13.051 2.275 1.00 0.00 H ATOM 180 HE ARG A 11 14.302 10.928 1.677 1.00 0.00 H ATOM 181 HH11 ARG A 11 14.186 14.002 3.351 1.00 0.00 H ATOM 182 HH12 ARG A 11 15.885 14.287 3.193 1.00 0.00 H ATOM 183 HH21 ARG A 11 16.536 11.315 1.469 1.00 0.00 H ATOM 184 HH22 ARG A 11 17.218 12.766 2.123 1.00 0.00 H ATOM 185 N ASP A 12 13.118 7.782 5.669 1.00 0.00 N ATOM 186 CA ASP A 12 13.329 6.815 6.751 1.00 0.00 C ATOM 187 C ASP A 12 14.514 5.889 6.467 1.00 0.00 C ATOM 188 O ASP A 12 15.552 5.990 7.124 1.00 0.00 O ATOM 189 CB ASP A 12 12.061 5.988 7.004 1.00 0.00 C ATOM 190 CG ASP A 12 10.939 6.801 7.634 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.137 7.454 8.660 1.00 0.00 O ATOM 192 H ASP A 12 12.267 7.779 5.183 1.00 0.00 H ATOM 193 HA ASP A 12 13.552 7.380 7.644 1.00 0.00 H ATOM 194 HB2 ASP A 12 11.706 5.590 6.065 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.301 5.169 7.666 1.00 0.00 H ATOM 196 N VAL A 13 14.361 4.989 5.492 1.00 0.00 N ATOM 197 CA VAL A 13 15.434 4.056 5.142 1.00 0.00 C ATOM 198 C VAL A 13 16.383 4.658 4.100 1.00 0.00 C ATOM 199 O VAL A 13 17.588 4.408 4.130 1.00 0.00 O ATOM 200 CB VAL A 13 14.881 2.704 4.629 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.079 2.881 3.349 1.00 0.00 C ATOM 202 CG2 VAL A 13 16.013 1.705 4.423 1.00 0.00 C ATOM 203 H VAL A 13 13.514 4.953 5.001 1.00 0.00 H ATOM 204 HA VAL A 13 15.999 3.862 6.043 1.00 0.00 H ATOM 205 HB VAL A 13 14.219 2.305 5.384 1.00 0.00 H ATOM 206 HG11 VAL A 13 14.714 3.296 2.580 1.00 0.00 H ATOM 207 HG12 VAL A 13 13.251 3.550 3.532 1.00 0.00 H ATOM 208 HG13 VAL A 13 13.701 1.923 3.024 1.00 0.00 H ATOM 209 HG21 VAL A 13 16.642 1.688 5.300 1.00 0.00 H ATOM 210 HG22 VAL A 13 16.599 1.998 3.564 1.00 0.00 H ATOM 211 HG23 VAL A 13 15.599 0.721 4.257 1.00 0.00 H HETATM 212 N NH2 A 14 15.844 5.456 3.180 1.00 0.00 N HETATM 213 HN1 NH2 A 14 14.878 5.615 3.210 1.00 0.00 H HETATM 214 HN2 NH2 A 14 16.437 5.852 2.509 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 13 HETATM 1 C ACE A 1 0.507 7.379 -1.725 1.00 0.00 C HETATM 2 O ACE A 1 1.572 6.951 -1.271 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.565 7.666 -0.869 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.249 7.540 0.158 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.385 6.998 -1.080 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.889 8.684 -1.024 1.00 0.00 H HETATM 7 N ALN A 2 0.314 7.592 -3.031 1.00 0.00 N HETATM 8 CA ALN A 2 1.361 7.329 -4.022 1.00 0.00 C HETATM 9 C ALN A 2 2.620 8.140 -3.712 1.00 0.00 C HETATM 10 O ALN A 2 3.735 7.631 -3.823 1.00 0.00 O HETATM 11 CB ALN A 2 0.847 7.627 -5.443 1.00 0.00 C HETATM 12 CG1 ALN A 2 0.495 9.075 -5.696 1.00 0.00 C HETATM 13 CD1 ALN A 2 -0.815 9.497 -5.534 1.00 0.00 C HETATM 14 CE1 ALN A 2 -1.162 10.814 -5.757 1.00 0.00 C HETATM 15 CD2 ALN A 2 1.469 9.992 -6.090 1.00 0.00 C HETATM 16 CE2 ALN A 2 1.119 11.314 -6.312 1.00 0.00 C HETATM 17 CZ1 ALN A 2 -0.195 11.719 -6.145 1.00 0.00 C HETATM 18 CG2 ALN A 2 2.789 9.598 -6.266 1.00 0.00 C HETATM 19 CD3 ALN A 2 3.749 10.512 -6.657 1.00 0.00 C HETATM 20 CE3 ALN A 2 3.396 11.830 -6.876 1.00 0.00 C HETATM 21 CZ2 ALN A 2 2.084 12.227 -6.704 1.00 0.00 C HETATM 22 H ALN A 2 -0.553 7.934 -3.334 1.00 0.00 H HETATM 23 HA ALN A 2 1.609 6.281 -3.957 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.607 7.346 -6.156 1.00 0.00 H HETATM 25 HB3 ALN A 2 -0.038 7.035 -5.624 1.00 0.00 H HETATM 26 HD1 ALN A 2 -1.569 8.785 -5.230 1.00 0.00 H HETATM 27 HE1 ALN A 2 -2.185 11.136 -5.627 1.00 0.00 H HETATM 28 HZ1 ALN A 2 -0.460 12.752 -6.320 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.065 8.569 -6.094 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.774 10.197 -6.791 1.00 0.00 H HETATM 31 HE3 ALN A 2 4.143 12.547 -7.181 1.00 0.00 H HETATM 32 HZ2 ALN A 2 1.805 13.256 -6.874 1.00 0.00 H ATOM 33 N LYS A 3 2.432 9.398 -3.312 1.00 0.00 N ATOM 34 CA LYS A 3 3.550 10.274 -2.972 1.00 0.00 C ATOM 35 C LYS A 3 4.059 9.953 -1.566 1.00 0.00 C ATOM 36 O LYS A 3 5.253 9.747 -1.360 1.00 0.00 O ATOM 37 CB LYS A 3 3.110 11.748 -3.047 1.00 0.00 C ATOM 38 CG LYS A 3 4.255 12.761 -2.992 1.00 0.00 C ATOM 39 CD LYS A 3 5.186 12.480 -1.826 1.00 0.00 C ATOM 40 CE LYS A 3 6.164 13.611 -1.552 1.00 0.00 C ATOM 41 NZ LYS A 3 7.205 13.213 -0.589 1.00 0.00 N ATOM 42 H LYS A 3 1.517 9.742 -3.235 1.00 0.00 H ATOM 43 HA LYS A 3 4.343 10.101 -3.684 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.571 11.899 -3.967 1.00 0.00 H ATOM 45 HB3 LYS A 3 2.444 11.950 -2.220 1.00 0.00 H ATOM 46 HG2 LYS A 3 4.818 12.705 -3.911 1.00 0.00 H ATOM 47 HG3 LYS A 3 3.841 13.753 -2.881 1.00 0.00 H ATOM 48 HD2 LYS A 3 4.591 12.318 -0.942 1.00 0.00 H ATOM 49 HD3 LYS A 3 5.749 11.587 -2.049 1.00 0.00 H ATOM 50 HE2 LYS A 3 6.636 13.896 -2.480 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.619 14.453 -1.151 1.00 0.00 H ATOM 52 HZ1 LYS A 3 8.065 13.681 -0.642 1.00 0.00 H ATOM 53 N ASP A 4 3.132 9.931 -0.606 1.00 0.00 N ATOM 54 CA ASP A 4 3.447 9.664 0.805 1.00 0.00 C ATOM 55 C ASP A 4 4.508 8.574 0.987 1.00 0.00 C ATOM 56 O ASP A 4 5.457 8.755 1.753 1.00 0.00 O ATOM 57 CB ASP A 4 2.175 9.267 1.566 1.00 0.00 C ATOM 58 CG ASP A 4 1.123 10.364 1.572 1.00 0.00 C ATOM 59 OD1 ASP A 4 0.609 10.705 0.485 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.814 10.881 2.666 1.00 0.00 O ATOM 61 H ASP A 4 2.201 10.118 -0.853 1.00 0.00 H ATOM 62 HA ASP A 4 3.825 10.581 1.229 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.748 8.390 1.104 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.435 9.037 2.589 1.00 0.00 H ATOM 65 N GLU A 5 4.342 7.443 0.299 1.00 0.00 N ATOM 66 CA GLU A 5 5.290 6.330 0.413 1.00 0.00 C ATOM 67 C GLU A 5 6.685 6.696 -0.112 1.00 0.00 C ATOM 68 O GLU A 5 7.686 6.164 0.367 1.00 0.00 O ATOM 69 CB GLU A 5 4.749 5.080 -0.301 1.00 0.00 C ATOM 70 CG GLU A 5 4.548 5.230 -1.806 1.00 0.00 C ATOM 71 CD GLU A 5 5.846 5.176 -2.595 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.611 4.204 -2.418 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.089 6.095 -3.404 1.00 0.00 O ATOM 74 H GLU A 5 3.562 7.350 -0.288 1.00 0.00 H ATOM 75 HA GLU A 5 5.382 6.103 1.465 1.00 0.00 H ATOM 76 HB2 GLU A 5 5.439 4.266 -0.138 1.00 0.00 H ATOM 77 HB3 GLU A 5 3.798 4.819 0.140 1.00 0.00 H ATOM 78 HG2 GLU A 5 3.907 4.433 -2.150 1.00 0.00 H ATOM 79 HG3 GLU A 5 4.068 6.179 -1.996 1.00 0.00 H ATOM 80 N PHE A 6 6.746 7.591 -1.100 1.00 0.00 N ATOM 81 CA PHE A 6 8.019 8.010 -1.694 1.00 0.00 C ATOM 82 C PHE A 6 8.879 8.815 -0.713 1.00 0.00 C ATOM 83 O PHE A 6 10.055 8.502 -0.518 1.00 0.00 O ATOM 84 CB PHE A 6 7.767 8.838 -2.960 1.00 0.00 C ATOM 85 CG PHE A 6 9.024 9.294 -3.649 1.00 0.00 C ATOM 86 CD1 PHE A 6 10.036 8.394 -3.947 1.00 0.00 C ATOM 87 CD2 PHE A 6 9.193 10.625 -3.997 1.00 0.00 C ATOM 88 CE1 PHE A 6 11.192 8.813 -4.577 1.00 0.00 C ATOM 89 CE2 PHE A 6 10.347 11.049 -4.628 1.00 0.00 C ATOM 90 CZ PHE A 6 11.347 10.142 -4.918 1.00 0.00 C ATOM 91 H PHE A 6 5.913 7.974 -1.448 1.00 0.00 H ATOM 92 HA PHE A 6 8.559 7.117 -1.969 1.00 0.00 H ATOM 93 HB2 PHE A 6 7.202 8.244 -3.663 1.00 0.00 H ATOM 94 HB3 PHE A 6 7.193 9.715 -2.698 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.915 7.354 -3.682 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.412 11.335 -3.770 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.972 8.102 -4.803 1.00 0.00 H ATOM 98 HE2 PHE A 6 10.467 12.089 -4.893 1.00 0.00 H ATOM 99 HZ PHE A 6 12.250 10.472 -5.411 1.00 0.00 H ATOM 100 N ASP A 7 8.297 9.856 -0.110 1.00 0.00 N ATOM 101 CA ASP A 7 9.037 10.704 0.837 1.00 0.00 C ATOM 102 C ASP A 7 9.408 9.923 2.098 1.00 0.00 C ATOM 103 O ASP A 7 10.485 10.120 2.661 1.00 0.00 O ATOM 104 CB ASP A 7 8.253 11.975 1.228 1.00 0.00 C ATOM 105 CG ASP A 7 7.056 12.252 0.337 1.00 0.00 C ATOM 106 OD1 ASP A 7 6.023 11.595 0.474 1.00 0.00 O ATOM 107 H ASP A 7 7.361 10.060 -0.312 1.00 0.00 H ATOM 108 HA ASP A 7 9.953 11.004 0.347 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.898 11.869 2.242 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.918 12.825 1.177 1.00 0.00 H ATOM 111 N LYS A 8 8.511 9.039 2.539 1.00 0.00 N ATOM 112 CA LYS A 8 8.750 8.234 3.734 1.00 0.00 C ATOM 113 C LYS A 8 9.853 7.204 3.490 1.00 0.00 C ATOM 114 O LYS A 8 10.779 7.079 4.290 1.00 0.00 O ATOM 115 CB LYS A 8 7.459 7.528 4.169 1.00 0.00 C ATOM 116 CG LYS A 8 7.536 6.874 5.545 1.00 0.00 C ATOM 117 CD LYS A 8 7.544 5.349 5.465 1.00 0.00 C ATOM 118 CE LYS A 8 8.907 4.793 5.070 1.00 0.00 C ATOM 119 NZ LYS A 8 9.943 5.112 6.056 1.00 0.00 N ATOM 120 H LYS A 8 7.668 8.928 2.050 1.00 0.00 H ATOM 121 HA LYS A 8 9.066 8.900 4.523 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.658 8.251 4.185 1.00 0.00 H ATOM 123 HB3 LYS A 8 7.223 6.762 3.444 1.00 0.00 H ATOM 124 HG2 LYS A 8 8.441 7.199 6.035 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.682 7.188 6.126 1.00 0.00 H ATOM 126 HD2 LYS A 8 7.275 4.950 6.431 1.00 0.00 H ATOM 127 HD3 LYS A 8 6.814 5.037 4.733 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.828 3.720 4.984 1.00 0.00 H ATOM 129 HE3 LYS A 8 9.188 5.206 4.117 1.00 0.00 H ATOM 130 HZ1 LYS A 8 9.661 5.579 6.871 1.00 0.00 H ATOM 131 N SER A 9 9.741 6.460 2.388 1.00 0.00 N ATOM 132 CA SER A 9 10.722 5.425 2.052 1.00 0.00 C ATOM 133 C SER A 9 12.140 5.988 1.970 1.00 0.00 C ATOM 134 O SER A 9 13.081 5.366 2.452 1.00 0.00 O ATOM 135 CB SER A 9 10.356 4.742 0.730 1.00 0.00 C ATOM 136 OG SER A 9 10.355 5.666 -0.346 1.00 0.00 O ATOM 137 H SER A 9 8.974 6.600 1.794 1.00 0.00 H ATOM 138 HA SER A 9 10.696 4.687 2.840 1.00 0.00 H ATOM 139 HB2 SER A 9 11.075 3.966 0.518 1.00 0.00 H ATOM 140 HB3 SER A 9 9.371 4.306 0.814 1.00 0.00 H ATOM 141 HG SER A 9 9.466 5.747 -0.698 1.00 0.00 H ATOM 142 N ILE A 10 12.293 7.158 1.353 1.00 0.00 N ATOM 143 CA ILE A 10 13.610 7.776 1.215 1.00 0.00 C ATOM 144 C ILE A 10 14.176 8.208 2.575 1.00 0.00 C ATOM 145 O ILE A 10 15.372 8.050 2.827 1.00 0.00 O ATOM 146 CB ILE A 10 13.575 8.978 0.231 1.00 0.00 C ATOM 147 CG1 ILE A 10 14.989 9.515 -0.050 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.675 10.090 0.753 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.612 10.282 1.101 1.00 0.00 C ATOM 150 H ILE A 10 11.508 7.611 0.979 1.00 0.00 H ATOM 151 HA ILE A 10 14.270 7.026 0.800 1.00 0.00 H ATOM 152 HB ILE A 10 13.150 8.627 -0.698 1.00 0.00 H ATOM 153 HG12 ILE A 10 15.640 8.685 -0.279 1.00 0.00 H ATOM 154 HG13 ILE A 10 14.948 10.176 -0.904 1.00 0.00 H ATOM 155 HG21 ILE A 10 12.735 10.942 0.093 1.00 0.00 H ATOM 156 HG22 ILE A 10 12.995 10.380 1.743 1.00 0.00 H ATOM 157 HG23 ILE A 10 11.656 9.738 0.793 1.00 0.00 H ATOM 158 HD11 ILE A 10 16.422 9.704 1.521 1.00 0.00 H ATOM 159 HD12 ILE A 10 14.867 10.463 1.861 1.00 0.00 H ATOM 160 HD13 ILE A 10 15.994 11.225 0.739 1.00 0.00 H ATOM 161 N ARG A 11 13.323 8.754 3.447 1.00 0.00 N ATOM 162 CA ARG A 11 13.770 9.206 4.768 1.00 0.00 C ATOM 163 C ARG A 11 14.097 8.035 5.704 1.00 0.00 C ATOM 164 O ARG A 11 15.141 8.046 6.359 1.00 0.00 O ATOM 165 CB ARG A 11 12.735 10.137 5.417 1.00 0.00 C ATOM 166 CG ARG A 11 11.375 9.499 5.655 1.00 0.00 C ATOM 167 CD ARG A 11 10.408 10.467 6.321 1.00 0.00 C ATOM 168 NE ARG A 11 10.860 10.876 7.652 1.00 0.00 N ATOM 169 CZ ARG A 11 10.193 11.724 8.440 1.00 0.00 C ATOM 170 NH1 ARG A 11 9.042 12.258 8.038 1.00 0.00 N ATOM 171 NH2 ARG A 11 10.679 12.038 9.636 1.00 0.00 N ATOM 172 H ARG A 11 12.381 8.860 3.198 1.00 0.00 H ATOM 173 HA ARG A 11 14.679 9.769 4.614 1.00 0.00 H ATOM 174 HB2 ARG A 11 13.119 10.471 6.369 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.596 10.997 4.777 1.00 0.00 H ATOM 176 HG2 ARG A 11 10.962 9.195 4.707 1.00 0.00 H ATOM 177 HG3 ARG A 11 11.499 8.635 6.290 1.00 0.00 H ATOM 178 HD2 ARG A 11 10.314 11.345 5.699 1.00 0.00 H ATOM 179 HD3 ARG A 11 9.445 9.987 6.410 1.00 0.00 H ATOM 180 HE ARG A 11 11.704 10.499 7.978 1.00 0.00 H ATOM 181 HH11 ARG A 11 8.668 12.028 7.139 1.00 0.00 H ATOM 182 HH12 ARG A 11 8.550 12.892 8.635 1.00 0.00 H ATOM 183 HH21 ARG A 11 11.543 11.640 9.946 1.00 0.00 H ATOM 184 HH22 ARG A 11 10.181 12.673 10.228 1.00 0.00 H ATOM 185 N ASP A 12 13.213 7.031 5.778 1.00 0.00 N ATOM 186 CA ASP A 12 13.450 5.880 6.657 1.00 0.00 C ATOM 187 C ASP A 12 14.430 4.870 6.049 1.00 0.00 C ATOM 188 O ASP A 12 15.223 4.267 6.773 1.00 0.00 O ATOM 189 CB ASP A 12 12.139 5.185 7.073 1.00 0.00 C ATOM 190 CG ASP A 12 11.231 4.785 5.920 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.670 4.171 4.949 1.00 0.00 O ATOM 192 H ASP A 12 12.394 7.067 5.241 1.00 0.00 H ATOM 193 HA ASP A 12 13.911 6.273 7.553 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.382 4.290 7.621 1.00 0.00 H ATOM 195 HB3 ASP A 12 11.587 5.850 7.723 1.00 0.00 H ATOM 196 N VAL A 13 14.380 4.685 4.727 1.00 0.00 N ATOM 197 CA VAL A 13 15.276 3.743 4.051 1.00 0.00 C ATOM 198 C VAL A 13 15.736 4.282 2.691 1.00 0.00 C ATOM 199 O VAL A 13 15.501 3.668 1.649 1.00 0.00 O ATOM 200 CB VAL A 13 14.613 2.353 3.866 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.304 1.725 5.216 1.00 0.00 C ATOM 202 CG2 VAL A 13 13.349 2.450 3.019 1.00 0.00 C ATOM 203 H VAL A 13 13.729 5.191 4.196 1.00 0.00 H ATOM 204 HA VAL A 13 16.147 3.615 4.678 1.00 0.00 H ATOM 205 HB VAL A 13 15.315 1.712 3.352 1.00 0.00 H ATOM 206 HG11 VAL A 13 13.995 0.700 5.074 1.00 0.00 H ATOM 207 HG12 VAL A 13 13.510 2.277 5.697 1.00 0.00 H ATOM 208 HG13 VAL A 13 15.188 1.751 5.837 1.00 0.00 H ATOM 209 HG21 VAL A 13 12.719 1.594 3.214 1.00 0.00 H ATOM 210 HG22 VAL A 13 13.616 2.468 1.973 1.00 0.00 H ATOM 211 HG23 VAL A 13 12.815 3.353 3.270 1.00 0.00 H HETATM 212 N NH2 A 14 16.401 5.433 2.704 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.555 5.871 3.568 1.00 0.00 H HETATM 214 HN2 NH2 A 14 16.712 5.796 1.849 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 14 HETATM 1 C ACE A 1 0.765 7.947 -1.279 1.00 0.00 C HETATM 2 O ACE A 1 1.680 7.562 -0.545 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.448 8.390 -0.733 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.564 9.448 -0.926 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.450 8.215 0.332 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.266 7.849 -1.182 1.00 0.00 H HETATM 7 N ALN A 2 0.873 7.969 -2.611 1.00 0.00 N HETATM 8 CA ALN A 2 2.093 7.533 -3.288 1.00 0.00 C HETATM 9 C ALN A 2 3.288 8.366 -2.849 1.00 0.00 C HETATM 10 O ALN A 2 4.313 7.823 -2.442 1.00 0.00 O HETATM 11 CB ALN A 2 1.936 7.610 -4.811 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.153 6.465 -5.410 1.00 0.00 C HETATM 13 CD1 ALN A 2 -0.095 6.137 -4.901 1.00 0.00 C HETATM 14 CE1 ALN A 2 -0.821 5.093 -5.438 1.00 0.00 C HETATM 15 CD2 ALN A 2 1.676 5.730 -6.474 1.00 0.00 C HETATM 16 CE2 ALN A 2 0.945 4.681 -7.010 1.00 0.00 C HETATM 17 CZ1 ALN A 2 -0.299 4.367 -6.490 1.00 0.00 C HETATM 18 CG2 ALN A 2 2.923 6.034 -7.005 1.00 0.00 C HETATM 19 CD3 ALN A 2 3.436 5.301 -8.058 1.00 0.00 C HETATM 20 CE3 ALN A 2 2.705 4.257 -8.590 1.00 0.00 C HETATM 21 CZ2 ALN A 2 1.464 3.950 -8.066 1.00 0.00 C HETATM 22 H ALN A 2 0.117 8.289 -3.147 1.00 0.00 H HETATM 23 HA ALN A 2 2.271 6.506 -3.009 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.424 8.527 -5.065 1.00 0.00 H HETATM 25 HB3 ALN A 2 2.915 7.618 -5.262 1.00 0.00 H HETATM 26 HD1 ALN A 2 -0.501 6.707 -4.078 1.00 0.00 H HETATM 27 HE1 ALN A 2 -1.792 4.844 -5.036 1.00 0.00 H HETATM 28 HZ1 ALN A 2 -0.863 3.549 -6.914 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.494 6.849 -6.591 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.407 5.545 -8.464 1.00 0.00 H HETATM 31 HE3 ALN A 2 3.103 3.682 -9.413 1.00 0.00 H HETATM 32 HZ2 ALN A 2 0.890 3.134 -8.481 1.00 0.00 H ATOM 33 N LYS A 3 3.149 9.684 -2.922 1.00 0.00 N ATOM 34 CA LYS A 3 4.228 10.580 -2.520 1.00 0.00 C ATOM 35 C LYS A 3 4.725 10.194 -1.128 1.00 0.00 C ATOM 36 O LYS A 3 5.928 10.052 -0.908 1.00 0.00 O ATOM 37 CB LYS A 3 3.752 12.041 -2.524 1.00 0.00 C ATOM 38 CG LYS A 3 4.866 13.065 -2.740 1.00 0.00 C ATOM 39 CD LYS A 3 6.010 12.895 -1.749 1.00 0.00 C ATOM 40 CE LYS A 3 5.562 13.141 -0.314 1.00 0.00 C ATOM 41 NZ LYS A 3 6.340 12.358 0.647 1.00 0.00 N ATOM 42 H LYS A 3 2.304 10.059 -3.247 1.00 0.00 H ATOM 43 HA LYS A 3 5.037 10.466 -3.226 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.025 12.165 -3.313 1.00 0.00 H ATOM 45 HB3 LYS A 3 3.278 12.253 -1.577 1.00 0.00 H ATOM 46 HG2 LYS A 3 5.256 12.948 -3.740 1.00 0.00 H ATOM 47 HG3 LYS A 3 4.452 14.057 -2.630 1.00 0.00 H ATOM 48 HD2 LYS A 3 6.397 11.893 -1.829 1.00 0.00 H ATOM 49 HD3 LYS A 3 6.789 13.601 -1.996 1.00 0.00 H ATOM 50 HE2 LYS A 3 5.681 14.190 -0.088 1.00 0.00 H ATOM 51 HE3 LYS A 3 4.520 12.871 -0.223 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.841 11.786 1.265 1.00 0.00 H ATOM 53 N ASP A 4 3.783 10.013 -0.196 1.00 0.00 N ATOM 54 CA ASP A 4 4.110 9.633 1.181 1.00 0.00 C ATOM 55 C ASP A 4 5.067 8.440 1.203 1.00 0.00 C ATOM 56 O ASP A 4 6.034 8.425 1.967 1.00 0.00 O ATOM 57 CB ASP A 4 2.827 9.291 1.954 1.00 0.00 C ATOM 58 CG ASP A 4 3.051 9.067 3.445 1.00 0.00 C ATOM 59 OD1 ASP A 4 4.184 9.286 3.931 1.00 0.00 O ATOM 60 OD2 ASP A 4 2.083 8.682 4.133 1.00 0.00 O ATOM 61 H ASP A 4 2.841 10.134 -0.443 1.00 0.00 H ATOM 62 HA ASP A 4 4.590 10.475 1.653 1.00 0.00 H ATOM 63 HB2 ASP A 4 2.123 10.100 1.838 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.398 8.391 1.537 1.00 0.00 H ATOM 65 N GLU A 5 4.794 7.447 0.354 1.00 0.00 N ATOM 66 CA GLU A 5 5.633 6.252 0.270 1.00 0.00 C ATOM 67 C GLU A 5 7.067 6.610 -0.129 1.00 0.00 C ATOM 68 O GLU A 5 8.021 6.074 0.434 1.00 0.00 O ATOM 69 CB GLU A 5 5.049 5.248 -0.731 1.00 0.00 C ATOM 70 CG GLU A 5 3.617 4.823 -0.426 1.00 0.00 C ATOM 71 CD GLU A 5 3.469 4.131 0.919 1.00 0.00 C ATOM 72 OE1 GLU A 5 3.668 4.795 1.959 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.154 2.923 0.931 1.00 0.00 O ATOM 74 H GLU A 5 4.012 7.522 -0.234 1.00 0.00 H ATOM 75 HA GLU A 5 5.654 5.797 1.249 1.00 0.00 H ATOM 76 HB2 GLU A 5 5.066 5.690 -1.716 1.00 0.00 H ATOM 77 HB3 GLU A 5 5.669 4.364 -0.735 1.00 0.00 H ATOM 78 HG2 GLU A 5 2.989 5.700 -0.429 1.00 0.00 H ATOM 79 HG3 GLU A 5 3.287 4.146 -1.200 1.00 0.00 H ATOM 80 N PHE A 6 7.212 7.515 -1.103 1.00 0.00 N ATOM 81 CA PHE A 6 8.536 7.936 -1.570 1.00 0.00 C ATOM 82 C PHE A 6 9.303 8.693 -0.483 1.00 0.00 C ATOM 83 O PHE A 6 10.478 8.412 -0.240 1.00 0.00 O ATOM 84 CB PHE A 6 8.431 8.809 -2.827 1.00 0.00 C ATOM 85 CG PHE A 6 7.889 8.087 -4.030 1.00 0.00 C ATOM 86 CD1 PHE A 6 8.740 7.415 -4.894 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.532 8.091 -4.304 1.00 0.00 C ATOM 88 CE1 PHE A 6 8.245 6.757 -6.004 1.00 0.00 C ATOM 89 CE2 PHE A 6 6.031 7.435 -5.412 1.00 0.00 C ATOM 90 CZ PHE A 6 6.889 6.767 -6.263 1.00 0.00 C ATOM 91 H PHE A 6 6.412 7.907 -1.514 1.00 0.00 H ATOM 92 HA PHE A 6 9.091 7.042 -1.817 1.00 0.00 H ATOM 93 HB2 PHE A 6 7.777 9.644 -2.621 1.00 0.00 H ATOM 94 HB3 PHE A 6 9.412 9.184 -3.077 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.800 7.404 -4.691 1.00 0.00 H ATOM 96 HD2 PHE A 6 5.861 8.614 -3.642 1.00 0.00 H ATOM 97 HE1 PHE A 6 8.919 6.237 -6.669 1.00 0.00 H ATOM 98 HE2 PHE A 6 4.970 7.444 -5.612 1.00 0.00 H ATOM 99 HZ PHE A 6 6.500 6.253 -7.130 1.00 0.00 H ATOM 100 N ASP A 7 8.635 9.654 0.165 1.00 0.00 N ATOM 101 CA ASP A 7 9.265 10.451 1.224 1.00 0.00 C ATOM 102 C ASP A 7 9.784 9.552 2.347 1.00 0.00 C ATOM 103 O ASP A 7 10.920 9.703 2.795 1.00 0.00 O ATOM 104 CB ASP A 7 8.277 11.477 1.798 1.00 0.00 C ATOM 105 CG ASP A 7 7.671 12.372 0.730 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.387 13.057 -0.003 1.00 0.00 O ATOM 107 H ASP A 7 7.702 9.833 -0.076 1.00 0.00 H ATOM 108 HA ASP A 7 10.101 10.976 0.787 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.476 10.953 2.297 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.793 12.100 2.513 1.00 0.00 H ATOM 111 N LYS A 8 8.944 8.614 2.788 1.00 0.00 N ATOM 112 CA LYS A 8 9.313 7.681 3.853 1.00 0.00 C ATOM 113 C LYS A 8 10.397 6.706 3.395 1.00 0.00 C ATOM 114 O LYS A 8 11.349 6.442 4.126 1.00 0.00 O ATOM 115 CB LYS A 8 8.082 6.900 4.326 1.00 0.00 C ATOM 116 CG LYS A 8 7.170 7.687 5.254 1.00 0.00 C ATOM 117 CD LYS A 8 7.553 7.530 6.726 1.00 0.00 C ATOM 118 CE LYS A 8 8.950 8.059 7.038 1.00 0.00 C ATOM 119 NZ LYS A 8 10.006 7.086 6.741 1.00 0.00 N ATOM 120 H LYS A 8 8.053 8.545 2.384 1.00 0.00 H ATOM 121 HA LYS A 8 9.696 8.260 4.678 1.00 0.00 H ATOM 122 HB2 LYS A 8 7.507 6.602 3.462 1.00 0.00 H ATOM 123 HB3 LYS A 8 8.411 6.013 4.847 1.00 0.00 H ATOM 124 HG2 LYS A 8 7.227 8.733 4.991 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.156 7.340 5.118 1.00 0.00 H ATOM 126 HD2 LYS A 8 6.840 8.070 7.328 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.514 6.480 6.981 1.00 0.00 H ATOM 128 HE2 LYS A 8 9.122 8.948 6.450 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.994 8.313 8.087 1.00 0.00 H ATOM 130 HZ1 LYS A 8 9.873 6.491 5.977 1.00 0.00 H ATOM 131 N SER A 9 10.239 6.165 2.188 1.00 0.00 N ATOM 132 CA SER A 9 11.199 5.208 1.639 1.00 0.00 C ATOM 133 C SER A 9 12.606 5.803 1.543 1.00 0.00 C ATOM 134 O SER A 9 13.582 5.152 1.903 1.00 0.00 O ATOM 135 CB SER A 9 10.742 4.729 0.258 1.00 0.00 C ATOM 136 OG SER A 9 11.651 3.785 -0.285 1.00 0.00 O ATOM 137 H SER A 9 9.452 6.409 1.656 1.00 0.00 H ATOM 138 HA SER A 9 11.230 4.359 2.306 1.00 0.00 H ATOM 139 HB2 SER A 9 9.771 4.265 0.343 1.00 0.00 H ATOM 140 HB3 SER A 9 10.679 5.575 -0.411 1.00 0.00 H ATOM 141 HG SER A 9 11.414 2.904 0.014 1.00 0.00 H ATOM 142 N ILE A 10 12.709 7.030 1.040 1.00 0.00 N ATOM 143 CA ILE A 10 14.009 7.684 0.885 1.00 0.00 C ATOM 144 C ILE A 10 14.561 8.223 2.212 1.00 0.00 C ATOM 145 O ILE A 10 15.754 8.091 2.487 1.00 0.00 O ATOM 146 CB ILE A 10 13.948 8.831 -0.155 1.00 0.00 C ATOM 147 CG1 ILE A 10 15.337 9.443 -0.368 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.954 9.906 0.272 1.00 0.00 C ATOM 149 CD1 ILE A 10 16.357 8.464 -0.909 1.00 0.00 C ATOM 150 H ILE A 10 11.898 7.501 0.754 1.00 0.00 H ATOM 151 HA ILE A 10 14.697 6.938 0.512 1.00 0.00 H ATOM 152 HB ILE A 10 13.603 8.415 -1.090 1.00 0.00 H ATOM 153 HG12 ILE A 10 15.260 10.260 -1.070 1.00 0.00 H ATOM 154 HG13 ILE A 10 15.706 9.820 0.575 1.00 0.00 H ATOM 155 HG21 ILE A 10 12.003 9.447 0.501 1.00 0.00 H ATOM 156 HG22 ILE A 10 12.825 10.616 -0.531 1.00 0.00 H ATOM 157 HG23 ILE A 10 13.328 10.416 1.147 1.00 0.00 H ATOM 158 HD11 ILE A 10 15.914 7.886 -1.707 1.00 0.00 H ATOM 159 HD12 ILE A 10 16.675 7.801 -0.118 1.00 0.00 H ATOM 160 HD13 ILE A 10 17.211 9.006 -1.288 1.00 0.00 H ATOM 161 N ARG A 11 13.700 8.850 3.017 1.00 0.00 N ATOM 162 CA ARG A 11 14.125 9.429 4.294 1.00 0.00 C ATOM 163 C ARG A 11 14.375 8.367 5.369 1.00 0.00 C ATOM 164 O ARG A 11 15.451 8.330 5.968 1.00 0.00 O ATOM 165 CB ARG A 11 13.082 10.436 4.789 1.00 0.00 C ATOM 166 CG ARG A 11 13.451 11.103 6.106 1.00 0.00 C ATOM 167 CD ARG A 11 12.413 12.135 6.523 1.00 0.00 C ATOM 168 NE ARG A 11 12.336 13.254 5.581 1.00 0.00 N ATOM 169 CZ ARG A 11 11.509 14.293 5.722 1.00 0.00 C ATOM 170 NH1 ARG A 11 10.682 14.364 6.762 1.00 0.00 N ATOM 171 NH2 ARG A 11 11.510 15.267 4.817 1.00 0.00 N ATOM 172 H ARG A 11 12.765 8.942 2.739 1.00 0.00 H ATOM 173 HA ARG A 11 15.050 9.957 4.117 1.00 0.00 H ATOM 174 HB2 ARG A 11 12.961 11.207 4.042 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.140 9.925 4.921 1.00 0.00 H ATOM 176 HG2 ARG A 11 13.519 10.347 6.874 1.00 0.00 H ATOM 177 HG3 ARG A 11 14.407 11.592 5.994 1.00 0.00 H ATOM 178 HD2 ARG A 11 11.448 11.654 6.574 1.00 0.00 H ATOM 179 HD3 ARG A 11 12.677 12.515 7.499 1.00 0.00 H ATOM 180 HE ARG A 11 12.932 13.231 4.803 1.00 0.00 H ATOM 181 HH11 ARG A 11 10.674 13.636 7.447 1.00 0.00 H ATOM 182 HH12 ARG A 11 10.068 15.147 6.859 1.00 0.00 H ATOM 183 HH21 ARG A 11 12.129 15.220 4.032 1.00 0.00 H ATOM 184 HH22 ARG A 11 10.892 16.047 4.920 1.00 0.00 H ATOM 185 N ASP A 12 13.373 7.526 5.629 1.00 0.00 N ATOM 186 CA ASP A 12 13.488 6.489 6.658 1.00 0.00 C ATOM 187 C ASP A 12 14.453 5.374 6.247 1.00 0.00 C ATOM 188 O ASP A 12 15.414 5.091 6.964 1.00 0.00 O ATOM 189 CB ASP A 12 12.109 5.905 6.991 1.00 0.00 C ATOM 190 CG ASP A 12 11.128 6.970 7.452 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.378 7.675 8.431 1.00 0.00 O ATOM 192 H ASP A 12 12.532 7.616 5.133 1.00 0.00 H ATOM 193 HA ASP A 12 13.881 6.962 7.547 1.00 0.00 H ATOM 194 HB2 ASP A 12 11.706 5.424 6.112 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.216 5.174 7.779 1.00 0.00 H ATOM 196 N VAL A 13 14.200 4.742 5.098 1.00 0.00 N ATOM 197 CA VAL A 13 15.062 3.660 4.617 1.00 0.00 C ATOM 198 C VAL A 13 16.366 4.213 4.039 1.00 0.00 C ATOM 199 O VAL A 13 17.456 3.827 4.461 1.00 0.00 O ATOM 200 CB VAL A 13 14.361 2.789 3.550 1.00 0.00 C ATOM 201 CG1 VAL A 13 15.245 1.620 3.140 1.00 0.00 C ATOM 202 CG2 VAL A 13 13.012 2.296 4.057 1.00 0.00 C ATOM 203 H VAL A 13 13.420 5.007 4.565 1.00 0.00 H ATOM 204 HA VAL A 13 15.301 3.030 5.462 1.00 0.00 H ATOM 205 HB VAL A 13 14.190 3.395 2.676 1.00 0.00 H ATOM 206 HG11 VAL A 13 15.568 1.085 4.021 1.00 0.00 H ATOM 207 HG12 VAL A 13 16.109 1.991 2.608 1.00 0.00 H ATOM 208 HG13 VAL A 13 14.687 0.954 2.498 1.00 0.00 H ATOM 209 HG21 VAL A 13 13.133 1.862 5.038 1.00 0.00 H ATOM 210 HG22 VAL A 13 12.623 1.550 3.379 1.00 0.00 H ATOM 211 HG23 VAL A 13 12.324 3.126 4.112 1.00 0.00 H HETATM 212 N NH2 A 14 16.255 5.119 3.071 1.00 0.00 N HETATM 213 HN1 NH2 A 14 15.357 5.383 2.781 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.078 5.487 2.686 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 15 HETATM 1 C ACE A 1 0.223 7.803 -1.282 1.00 0.00 C HETATM 2 O ACE A 1 1.219 7.767 -0.552 1.00 0.00 O HETATM 3 CH3 ACE A 1 -1.004 8.264 -0.785 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.045 8.097 0.282 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.811 7.731 -1.264 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.104 9.318 -0.991 1.00 0.00 H HETATM 7 N ALN A 2 0.251 7.417 -2.563 1.00 0.00 N HETATM 8 CA ALN A 2 1.473 6.915 -3.198 1.00 0.00 C HETATM 9 C ALN A 2 2.646 7.863 -2.949 1.00 0.00 C HETATM 10 O ALN A 2 3.762 7.419 -2.680 1.00 0.00 O HETATM 11 CB ALN A 2 1.248 6.705 -4.707 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.061 7.978 -5.498 1.00 0.00 C HETATM 13 CD1 ALN A 2 -0.219 8.443 -5.753 1.00 0.00 C HETATM 14 CE1 ALN A 2 -0.413 9.606 -6.471 1.00 0.00 C HETATM 15 CD2 ALN A 2 2.161 8.692 -5.974 1.00 0.00 C HETATM 16 CE2 ALN A 2 1.963 9.859 -6.693 1.00 0.00 C HETATM 17 CZ1 ALN A 2 0.677 10.311 -6.939 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.455 8.248 -5.739 1.00 0.00 C HETATM 19 CD3 ALN A 2 4.540 8.960 -6.213 1.00 0.00 C HETATM 20 CE3 ALN A 2 4.339 10.124 -6.929 1.00 0.00 C HETATM 21 CZ2 ALN A 2 3.053 10.570 -7.167 1.00 0.00 C HETATM 22 H ALN A 2 -0.572 7.470 -3.093 1.00 0.00 H HETATM 23 HA ALN A 2 1.704 5.963 -2.747 1.00 0.00 H HETATM 24 HB2 ALN A 2 2.100 6.185 -5.118 1.00 0.00 H HETATM 25 HB3 ALN A 2 0.366 6.096 -4.846 1.00 0.00 H HETATM 26 HD1 ALN A 2 -1.069 7.888 -5.384 1.00 0.00 H HETATM 27 HE1 ALN A 2 -1.414 9.963 -6.665 1.00 0.00 H HETATM 28 HZ1 ALN A 2 0.531 11.222 -7.500 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.612 7.338 -5.179 1.00 0.00 H HETATM 30 HD3 ALN A 2 5.543 8.607 -6.025 1.00 0.00 H HETATM 31 HE3 ALN A 2 5.184 10.684 -7.301 1.00 0.00 H HETATM 32 HZ2 ALN A 2 2.893 11.480 -7.726 1.00 0.00 H ATOM 33 N LYS A 3 2.380 9.169 -3.028 1.00 0.00 N ATOM 34 CA LYS A 3 3.408 10.181 -2.801 1.00 0.00 C ATOM 35 C LYS A 3 3.958 10.056 -1.378 1.00 0.00 C ATOM 36 O LYS A 3 5.171 10.054 -1.171 1.00 0.00 O ATOM 37 CB LYS A 3 2.825 11.587 -3.021 1.00 0.00 C ATOM 38 CG LYS A 3 3.852 12.642 -3.429 1.00 0.00 C ATOM 39 CD LYS A 3 5.014 12.725 -2.451 1.00 0.00 C ATOM 40 CE LYS A 3 4.559 13.132 -1.055 1.00 0.00 C ATOM 41 NZ LYS A 3 5.417 12.563 -0.018 1.00 0.00 N ATOM 42 H LYS A 3 1.467 9.458 -3.237 1.00 0.00 H ATOM 43 HA LYS A 3 4.208 10.012 -3.506 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.076 11.532 -3.796 1.00 0.00 H ATOM 45 HB3 LYS A 3 2.353 11.913 -2.106 1.00 0.00 H ATOM 46 HG2 LYS A 3 4.238 12.391 -4.405 1.00 0.00 H ATOM 47 HG3 LYS A 3 3.362 13.604 -3.474 1.00 0.00 H ATOM 48 HD2 LYS A 3 5.494 11.761 -2.395 1.00 0.00 H ATOM 49 HD3 LYS A 3 5.721 13.456 -2.814 1.00 0.00 H ATOM 50 HE2 LYS A 3 4.586 14.209 -0.981 1.00 0.00 H ATOM 51 HE3 LYS A 3 3.547 12.787 -0.903 1.00 0.00 H ATOM 52 HZ1 LYS A 3 4.987 12.014 0.669 1.00 0.00 H ATOM 53 N ASP A 4 3.047 9.943 -0.405 1.00 0.00 N ATOM 54 CA ASP A 4 3.419 9.813 1.007 1.00 0.00 C ATOM 55 C ASP A 4 4.479 8.732 1.218 1.00 0.00 C ATOM 56 O ASP A 4 5.461 8.955 1.930 1.00 0.00 O ATOM 57 CB ASP A 4 2.186 9.501 1.862 1.00 0.00 C ATOM 58 CG ASP A 4 1.139 10.599 1.798 1.00 0.00 C ATOM 59 OD1 ASP A 4 1.449 11.740 2.201 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.011 10.317 1.344 1.00 0.00 O ATOM 61 H ASP A 4 2.096 9.947 -0.645 1.00 0.00 H ATOM 62 HA ASP A 4 3.827 10.759 1.325 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.738 8.582 1.514 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.491 9.380 2.891 1.00 0.00 H ATOM 65 N GLU A 5 4.285 7.565 0.595 1.00 0.00 N ATOM 66 CA GLU A 5 5.246 6.466 0.727 1.00 0.00 C ATOM 67 C GLU A 5 6.625 6.861 0.198 1.00 0.00 C ATOM 68 O GLU A 5 7.641 6.521 0.799 1.00 0.00 O ATOM 69 CB GLU A 5 4.757 5.201 0.009 1.00 0.00 C ATOM 70 CG GLU A 5 3.643 4.465 0.743 1.00 0.00 C ATOM 71 CD GLU A 5 2.291 5.133 0.595 1.00 0.00 C ATOM 72 OE1 GLU A 5 1.733 5.098 -0.521 1.00 0.00 O ATOM 73 OE2 GLU A 5 1.792 5.694 1.594 1.00 0.00 O ATOM 74 H GLU A 5 3.488 7.444 0.035 1.00 0.00 H ATOM 75 HA GLU A 5 5.339 6.247 1.781 1.00 0.00 H ATOM 76 HB2 GLU A 5 4.392 5.476 -0.970 1.00 0.00 H ATOM 77 HB3 GLU A 5 5.590 4.523 -0.107 1.00 0.00 H ATOM 78 HG2 GLU A 5 3.574 3.462 0.349 1.00 0.00 H ATOM 79 HG3 GLU A 5 3.894 4.419 1.793 1.00 0.00 H ATOM 80 N PHE A 6 6.652 7.579 -0.927 1.00 0.00 N ATOM 81 CA PHE A 6 7.912 8.018 -1.536 1.00 0.00 C ATOM 82 C PHE A 6 8.648 9.027 -0.650 1.00 0.00 C ATOM 83 O PHE A 6 9.860 8.909 -0.433 1.00 0.00 O ATOM 84 CB PHE A 6 7.658 8.632 -2.920 1.00 0.00 C ATOM 85 CG PHE A 6 7.320 7.629 -3.994 1.00 0.00 C ATOM 86 CD1 PHE A 6 6.398 6.617 -3.766 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.928 7.705 -5.237 1.00 0.00 C ATOM 88 CE1 PHE A 6 6.091 5.703 -4.756 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.624 6.794 -6.231 1.00 0.00 C ATOM 90 CZ PHE A 6 6.705 5.792 -5.990 1.00 0.00 C ATOM 91 H PHE A 6 5.805 7.820 -1.359 1.00 0.00 H ATOM 92 HA PHE A 6 8.537 7.146 -1.655 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.835 9.327 -2.849 1.00 0.00 H ATOM 94 HB3 PHE A 6 8.544 9.166 -3.232 1.00 0.00 H ATOM 95 HD1 PHE A 6 5.917 6.544 -2.804 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.648 8.487 -5.428 1.00 0.00 H ATOM 97 HE1 PHE A 6 5.372 4.921 -4.566 1.00 0.00 H ATOM 98 HE2 PHE A 6 8.105 6.865 -7.195 1.00 0.00 H ATOM 99 HZ PHE A 6 6.466 5.079 -6.766 1.00 0.00 H ATOM 100 N ASP A 7 7.916 10.023 -0.144 1.00 0.00 N ATOM 101 CA ASP A 7 8.510 11.053 0.709 1.00 0.00 C ATOM 102 C ASP A 7 9.231 10.433 1.903 1.00 0.00 C ATOM 103 O ASP A 7 10.367 10.804 2.203 1.00 0.00 O ATOM 104 CB ASP A 7 7.446 12.045 1.193 1.00 0.00 C ATOM 105 CG ASP A 7 6.736 12.736 0.042 1.00 0.00 C ATOM 106 OD1 ASP A 7 7.368 13.402 -0.781 1.00 0.00 O ATOM 107 H ASP A 7 6.959 10.069 -0.354 1.00 0.00 H ATOM 108 HA ASP A 7 9.236 11.588 0.113 1.00 0.00 H ATOM 109 HB2 ASP A 7 6.711 11.517 1.781 1.00 0.00 H ATOM 110 HB3 ASP A 7 7.918 12.800 1.806 1.00 0.00 H ATOM 111 N LYS A 8 8.575 9.485 2.581 1.00 0.00 N ATOM 112 CA LYS A 8 9.184 8.829 3.735 1.00 0.00 C ATOM 113 C LYS A 8 10.202 7.772 3.312 1.00 0.00 C ATOM 114 O LYS A 8 11.223 7.615 3.972 1.00 0.00 O ATOM 115 CB LYS A 8 8.143 8.177 4.642 1.00 0.00 C ATOM 116 CG LYS A 8 8.748 7.684 5.952 1.00 0.00 C ATOM 117 CD LYS A 8 8.058 6.437 6.476 1.00 0.00 C ATOM 118 CE LYS A 8 8.156 5.278 5.491 1.00 0.00 C ATOM 119 NZ LYS A 8 9.536 4.968 5.085 1.00 0.00 N ATOM 120 H LYS A 8 7.674 9.224 2.297 1.00 0.00 H ATOM 121 HA LYS A 8 9.702 9.590 4.301 1.00 0.00 H ATOM 122 HB2 LYS A 8 7.370 8.898 4.868 1.00 0.00 H ATOM 123 HB3 LYS A 8 7.705 7.335 4.128 1.00 0.00 H ATOM 124 HG2 LYS A 8 9.791 7.461 5.792 1.00 0.00 H ATOM 125 HG3 LYS A 8 8.659 8.468 6.690 1.00 0.00 H ATOM 126 HD2 LYS A 8 8.523 6.145 7.405 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.016 6.662 6.650 1.00 0.00 H ATOM 128 HE2 LYS A 8 7.729 4.401 5.952 1.00 0.00 H ATOM 129 HE3 LYS A 8 7.583 5.528 4.610 1.00 0.00 H ATOM 130 HZ1 LYS A 8 9.719 4.930 4.124 1.00 0.00 H ATOM 131 N SER A 9 9.917 7.036 2.228 1.00 0.00 N ATOM 132 CA SER A 9 10.828 5.984 1.755 1.00 0.00 C ATOM 133 C SER A 9 12.266 6.493 1.720 1.00 0.00 C ATOM 134 O SER A 9 13.191 5.776 2.106 1.00 0.00 O ATOM 135 CB SER A 9 10.417 5.463 0.372 1.00 0.00 C ATOM 136 OG SER A 9 10.556 6.460 -0.623 1.00 0.00 O ATOM 137 H SER A 9 9.078 7.194 1.747 1.00 0.00 H ATOM 138 HA SER A 9 10.774 5.169 2.462 1.00 0.00 H ATOM 139 HB2 SER A 9 11.043 4.624 0.108 1.00 0.00 H ATOM 140 HB3 SER A 9 9.386 5.144 0.403 1.00 0.00 H ATOM 141 HG SER A 9 10.444 6.065 -1.490 1.00 0.00 H ATOM 142 N ILE A 10 12.445 7.743 1.280 1.00 0.00 N ATOM 143 CA ILE A 10 13.773 8.353 1.228 1.00 0.00 C ATOM 144 C ILE A 10 14.417 8.354 2.620 1.00 0.00 C ATOM 145 O ILE A 10 15.598 8.037 2.769 1.00 0.00 O ATOM 146 CB ILE A 10 13.710 9.803 0.695 1.00 0.00 C ATOM 147 CG1 ILE A 10 13.095 9.830 -0.709 1.00 0.00 C ATOM 148 CG2 ILE A 10 15.100 10.429 0.683 1.00 0.00 C ATOM 149 CD1 ILE A 10 12.913 11.225 -1.269 1.00 0.00 C ATOM 150 H ILE A 10 11.664 8.270 1.003 1.00 0.00 H ATOM 151 HA ILE A 10 14.386 7.767 0.557 1.00 0.00 H ATOM 152 HB ILE A 10 13.089 10.381 1.363 1.00 0.00 H ATOM 153 HG12 ILE A 10 13.736 9.284 -1.386 1.00 0.00 H ATOM 154 HG13 ILE A 10 12.125 9.355 -0.679 1.00 0.00 H ATOM 155 HG21 ILE A 10 15.065 11.375 0.163 1.00 0.00 H ATOM 156 HG22 ILE A 10 15.789 9.767 0.179 1.00 0.00 H ATOM 157 HG23 ILE A 10 15.432 10.589 1.698 1.00 0.00 H ATOM 158 HD11 ILE A 10 12.367 11.829 -0.560 1.00 0.00 H ATOM 159 HD12 ILE A 10 12.362 11.172 -2.196 1.00 0.00 H ATOM 160 HD13 ILE A 10 13.881 11.669 -1.450 1.00 0.00 H ATOM 161 N ARG A 11 13.620 8.705 3.635 1.00 0.00 N ATOM 162 CA ARG A 11 14.090 8.742 5.021 1.00 0.00 C ATOM 163 C ARG A 11 14.158 7.336 5.625 1.00 0.00 C ATOM 164 O ARG A 11 15.127 6.999 6.307 1.00 0.00 O ATOM 165 CB ARG A 11 13.185 9.635 5.881 1.00 0.00 C ATOM 166 CG ARG A 11 13.245 11.116 5.526 1.00 0.00 C ATOM 167 CD ARG A 11 12.583 11.410 4.186 1.00 0.00 C ATOM 168 NE ARG A 11 12.630 12.832 3.844 1.00 0.00 N ATOM 169 CZ ARG A 11 13.749 13.492 3.527 1.00 0.00 C ATOM 170 NH1 ARG A 11 14.917 12.857 3.460 1.00 0.00 N ATOM 171 NH2 ARG A 11 13.696 14.793 3.262 1.00 0.00 N ATOM 172 H ARG A 11 12.687 8.936 3.446 1.00 0.00 H ATOM 173 HA ARG A 11 15.086 9.160 5.016 1.00 0.00 H ATOM 174 HB2 ARG A 11 12.164 9.303 5.769 1.00 0.00 H ATOM 175 HB3 ARG A 11 13.476 9.525 6.916 1.00 0.00 H ATOM 176 HG2 ARG A 11 12.738 11.679 6.294 1.00 0.00 H ATOM 177 HG3 ARG A 11 14.280 11.422 5.480 1.00 0.00 H ATOM 178 HD2 ARG A 11 13.093 10.852 3.416 1.00 0.00 H ATOM 179 HD3 ARG A 11 11.551 11.095 4.233 1.00 0.00 H ATOM 180 HE ARG A 11 11.784 13.326 3.862 1.00 0.00 H ATOM 181 HH11 ARG A 11 14.967 11.876 3.646 1.00 0.00 H ATOM 182 HH12 ARG A 11 15.747 13.361 3.222 1.00 0.00 H ATOM 183 HH21 ARG A 11 12.821 15.277 3.299 1.00 0.00 H ATOM 184 HH22 ARG A 11 14.531 15.291 3.025 1.00 0.00 H ATOM 185 N ASP A 12 13.123 6.520 5.372 1.00 0.00 N ATOM 186 CA ASP A 12 13.070 5.150 5.893 1.00 0.00 C ATOM 187 C ASP A 12 14.366 4.395 5.589 1.00 0.00 C ATOM 188 O ASP A 12 14.968 3.799 6.483 1.00 0.00 O ATOM 189 CB ASP A 12 11.883 4.375 5.296 1.00 0.00 C ATOM 190 CG ASP A 12 10.539 4.709 5.933 1.00 0.00 C ATOM 191 OD1 ASP A 12 10.400 4.696 7.157 1.00 0.00 O ATOM 192 H ASP A 12 12.381 6.848 4.823 1.00 0.00 H ATOM 193 HA ASP A 12 12.947 5.209 6.964 1.00 0.00 H ATOM 194 HB2 ASP A 12 11.818 4.597 4.242 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.062 3.316 5.420 1.00 0.00 H ATOM 196 N VAL A 13 14.790 4.430 4.322 1.00 0.00 N ATOM 197 CA VAL A 13 16.017 3.751 3.901 1.00 0.00 C ATOM 198 C VAL A 13 17.264 4.476 4.414 1.00 0.00 C ATOM 199 O VAL A 13 18.241 3.840 4.810 1.00 0.00 O ATOM 200 CB VAL A 13 16.102 3.612 2.362 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.930 2.800 1.830 1.00 0.00 C ATOM 202 CG2 VAL A 13 16.162 4.978 1.687 1.00 0.00 C ATOM 203 H VAL A 13 14.266 4.924 3.657 1.00 0.00 H ATOM 204 HA VAL A 13 16.000 2.757 4.324 1.00 0.00 H ATOM 205 HB VAL A 13 17.012 3.080 2.123 1.00 0.00 H ATOM 206 HG11 VAL A 13 14.011 3.343 1.995 1.00 0.00 H ATOM 207 HG12 VAL A 13 14.886 1.852 2.345 1.00 0.00 H ATOM 208 HG13 VAL A 13 15.062 2.629 0.772 1.00 0.00 H ATOM 209 HG21 VAL A 13 15.821 4.891 0.666 1.00 0.00 H ATOM 210 HG22 VAL A 13 17.180 5.340 1.696 1.00 0.00 H ATOM 211 HG23 VAL A 13 15.530 5.672 2.220 1.00 0.00 H HETATM 212 N NH2 A 14 17.234 5.807 4.409 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.426 6.254 4.081 1.00 0.00 H HETATM 214 HN2 NH2 A 14 18.024 6.287 4.735 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 16 HETATM 1 C ACE A 1 0.810 7.572 -1.614 1.00 0.00 C HETATM 2 O ACE A 1 1.779 7.219 -0.941 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.410 7.880 -0.996 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.155 7.153 -1.290 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.729 8.866 -1.298 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.288 7.859 0.076 1.00 0.00 H HETATM 7 N ALN A 2 0.861 7.681 -2.944 1.00 0.00 N HETATM 8 CA ALN A 2 2.080 7.386 -3.701 1.00 0.00 C HETATM 9 C ALN A 2 3.215 8.339 -3.324 1.00 0.00 C HETATM 10 O ALN A 2 4.328 7.900 -3.030 1.00 0.00 O HETATM 11 CB ALN A 2 1.795 7.458 -5.212 1.00 0.00 C HETATM 12 CG1 ALN A 2 3.023 7.581 -6.088 1.00 0.00 C HETATM 13 CD1 ALN A 2 3.121 8.651 -6.964 1.00 0.00 C HETATM 14 CE1 ALN A 2 4.228 8.798 -7.776 1.00 0.00 C HETATM 15 CD2 ALN A 2 4.058 6.644 -6.028 1.00 0.00 C HETATM 16 CE2 ALN A 2 5.170 6.797 -6.845 1.00 0.00 C HETATM 17 CZ1 ALN A 2 5.249 7.872 -7.713 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.995 5.559 -5.163 1.00 0.00 C HETATM 19 CD3 ALN A 2 5.026 4.640 -5.112 1.00 0.00 C HETATM 20 CE3 ALN A 2 6.131 4.798 -5.927 1.00 0.00 C HETATM 21 CZ2 ALN A 2 6.199 5.873 -6.789 1.00 0.00 C HETATM 22 H ALN A 2 0.058 7.967 -3.429 1.00 0.00 H HETATM 23 HA ALN A 2 2.378 6.383 -3.450 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.271 6.563 -5.510 1.00 0.00 H HETATM 25 HB3 ALN A 2 1.163 8.314 -5.407 1.00 0.00 H HETATM 26 HD1 ALN A 2 2.321 9.374 -7.011 1.00 0.00 H HETATM 27 HE1 ALN A 2 4.296 9.635 -8.455 1.00 0.00 H HETATM 28 HZ1 ALN A 2 6.118 7.983 -8.345 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.133 5.433 -4.530 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.970 3.802 -4.436 1.00 0.00 H HETATM 31 HE3 ALN A 2 6.937 4.081 -5.889 1.00 0.00 H HETATM 32 HZ2 ALN A 2 7.062 5.998 -7.428 1.00 0.00 H ATOM 33 N LYS A 3 2.926 9.638 -3.337 1.00 0.00 N ATOM 34 CA LYS A 3 3.923 10.651 -2.998 1.00 0.00 C ATOM 35 C LYS A 3 4.301 10.578 -1.522 1.00 0.00 C ATOM 36 O LYS A 3 5.482 10.518 -1.178 1.00 0.00 O ATOM 37 CB LYS A 3 3.396 12.049 -3.338 1.00 0.00 C ATOM 38 CG LYS A 3 4.415 13.156 -3.110 1.00 0.00 C ATOM 39 CD LYS A 3 4.430 13.611 -1.659 1.00 0.00 C ATOM 40 CE LYS A 3 5.806 14.096 -1.235 1.00 0.00 C ATOM 41 NZ LYS A 3 6.381 13.242 -0.196 1.00 0.00 N ATOM 42 H LYS A 3 2.020 9.922 -3.581 1.00 0.00 H ATOM 43 HA LYS A 3 4.805 10.457 -3.591 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.097 12.064 -4.370 1.00 0.00 H ATOM 45 HB3 LYS A 3 2.533 12.253 -2.722 1.00 0.00 H ATOM 46 HG2 LYS A 3 5.396 12.788 -3.372 1.00 0.00 H ATOM 47 HG3 LYS A 3 4.164 13.997 -3.740 1.00 0.00 H ATOM 48 HD2 LYS A 3 3.725 14.420 -1.540 1.00 0.00 H ATOM 49 HD3 LYS A 3 4.138 12.787 -1.028 1.00 0.00 H ATOM 50 HE2 LYS A 3 6.458 14.092 -2.096 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.718 15.102 -0.854 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.790 12.966 0.536 1.00 0.00 H ATOM 53 N ASP A 4 3.286 10.591 -0.658 1.00 0.00 N ATOM 54 CA ASP A 4 3.497 10.530 0.791 1.00 0.00 C ATOM 55 C ASP A 4 4.384 9.338 1.165 1.00 0.00 C ATOM 56 O ASP A 4 5.378 9.492 1.879 1.00 0.00 O ATOM 57 CB ASP A 4 2.144 10.431 1.514 1.00 0.00 C ATOM 58 CG ASP A 4 2.250 10.531 3.032 1.00 0.00 C ATOM 59 OD1 ASP A 4 3.367 10.743 3.552 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.203 10.404 3.702 1.00 0.00 O ATOM 61 H ASP A 4 2.371 10.649 -1.008 1.00 0.00 H ATOM 62 HA ASP A 4 3.990 11.442 1.094 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.504 11.229 1.170 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.686 9.483 1.268 1.00 0.00 H ATOM 65 N GLU A 5 4.021 8.155 0.666 1.00 0.00 N ATOM 66 CA GLU A 5 4.781 6.936 0.934 1.00 0.00 C ATOM 67 C GLU A 5 6.200 7.038 0.370 1.00 0.00 C ATOM 68 O GLU A 5 7.158 6.603 1.009 1.00 0.00 O ATOM 69 CB GLU A 5 4.050 5.718 0.347 1.00 0.00 C ATOM 70 CG GLU A 5 4.793 4.394 0.515 1.00 0.00 C ATOM 71 CD GLU A 5 5.819 4.118 -0.579 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.840 4.851 -1.593 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.590 3.147 -0.429 1.00 0.00 O ATOM 74 H GLU A 5 3.223 8.103 0.098 1.00 0.00 H ATOM 75 HA GLU A 5 4.845 6.820 2.006 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.089 5.626 0.831 1.00 0.00 H ATOM 77 HB3 GLU A 5 3.892 5.884 -0.709 1.00 0.00 H ATOM 78 HG2 GLU A 5 5.305 4.406 1.465 1.00 0.00 H ATOM 79 HG3 GLU A 5 4.068 3.593 0.514 1.00 0.00 H ATOM 80 N PHE A 6 6.323 7.607 -0.831 1.00 0.00 N ATOM 81 CA PHE A 6 7.622 7.758 -1.485 1.00 0.00 C ATOM 82 C PHE A 6 8.565 8.659 -0.678 1.00 0.00 C ATOM 83 O PHE A 6 9.742 8.333 -0.513 1.00 0.00 O ATOM 84 CB PHE A 6 7.441 8.315 -2.902 1.00 0.00 C ATOM 85 CG PHE A 6 8.716 8.381 -3.697 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.560 7.284 -3.775 1.00 0.00 C ATOM 87 CD2 PHE A 6 9.069 9.542 -4.366 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.732 7.344 -4.504 1.00 0.00 C ATOM 89 CE2 PHE A 6 10.240 9.608 -5.097 1.00 0.00 C ATOM 90 CZ PHE A 6 11.073 8.508 -5.166 1.00 0.00 C ATOM 91 H PHE A 6 5.519 7.929 -1.291 1.00 0.00 H ATOM 92 HA PHE A 6 8.066 6.776 -1.555 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.749 7.686 -3.442 1.00 0.00 H ATOM 94 HB3 PHE A 6 7.036 9.314 -2.839 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.294 6.373 -3.259 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.419 10.402 -4.313 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.381 6.483 -4.557 1.00 0.00 H ATOM 98 HE2 PHE A 6 10.505 10.519 -5.613 1.00 0.00 H ATOM 99 HZ PHE A 6 11.988 8.557 -5.736 1.00 0.00 H ATOM 100 N ASP A 7 8.048 9.789 -0.180 1.00 0.00 N ATOM 101 CA ASP A 7 8.860 10.727 0.605 1.00 0.00 C ATOM 102 C ASP A 7 9.412 10.069 1.870 1.00 0.00 C ATOM 103 O ASP A 7 10.592 10.219 2.189 1.00 0.00 O ATOM 104 CB ASP A 7 8.053 11.969 1.003 1.00 0.00 C ATOM 105 CG ASP A 7 7.651 12.836 -0.179 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.472 13.153 -1.041 1.00 0.00 O ATOM 107 H ASP A 7 7.104 9.997 -0.345 1.00 0.00 H ATOM 108 HA ASP A 7 9.691 11.035 -0.011 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.154 11.653 1.510 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.645 12.569 1.679 1.00 0.00 H ATOM 111 N LYS A 8 8.550 9.354 2.594 1.00 0.00 N ATOM 112 CA LYS A 8 8.956 8.689 3.830 1.00 0.00 C ATOM 113 C LYS A 8 9.933 7.540 3.562 1.00 0.00 C ATOM 114 O LYS A 8 10.905 7.366 4.299 1.00 0.00 O ATOM 115 CB LYS A 8 7.732 8.171 4.594 1.00 0.00 C ATOM 116 CG LYS A 8 8.088 7.482 5.902 1.00 0.00 C ATOM 117 CD LYS A 8 8.825 8.422 6.846 1.00 0.00 C ATOM 118 CE LYS A 8 9.610 7.656 7.898 1.00 0.00 C ATOM 119 NZ LYS A 8 10.658 6.829 7.297 1.00 0.00 N ATOM 120 H LYS A 8 7.619 9.279 2.295 1.00 0.00 H ATOM 121 HA LYS A 8 9.457 9.426 4.441 1.00 0.00 H ATOM 122 HB2 LYS A 8 7.079 9.002 4.813 1.00 0.00 H ATOM 123 HB3 LYS A 8 7.205 7.464 3.971 1.00 0.00 H ATOM 124 HG2 LYS A 8 7.179 7.149 6.380 1.00 0.00 H ATOM 125 HG3 LYS A 8 8.718 6.631 5.689 1.00 0.00 H ATOM 126 HD2 LYS A 8 9.511 9.029 6.273 1.00 0.00 H ATOM 127 HD3 LYS A 8 8.105 9.059 7.339 1.00 0.00 H ATOM 128 HE2 LYS A 8 10.065 8.363 8.576 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.930 7.019 8.445 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.388 6.194 6.601 1.00 0.00 H ATOM 131 N SER A 9 9.666 6.754 2.516 1.00 0.00 N ATOM 132 CA SER A 9 10.522 5.617 2.168 1.00 0.00 C ATOM 133 C SER A 9 11.962 6.056 1.889 1.00 0.00 C ATOM 134 O SER A 9 12.905 5.467 2.417 1.00 0.00 O ATOM 135 CB SER A 9 9.960 4.874 0.952 1.00 0.00 C ATOM 136 OG SER A 9 8.689 4.317 1.238 1.00 0.00 O ATOM 137 H SER A 9 8.873 6.938 1.970 1.00 0.00 H ATOM 138 HA SER A 9 10.527 4.944 3.012 1.00 0.00 H ATOM 139 HB2 SER A 9 9.859 5.562 0.126 1.00 0.00 H ATOM 140 HB3 SER A 9 10.636 4.077 0.676 1.00 0.00 H ATOM 141 HG SER A 9 8.707 3.373 1.064 1.00 0.00 H ATOM 142 N ILE A 10 12.125 7.084 1.056 1.00 0.00 N ATOM 143 CA ILE A 10 13.455 7.589 0.708 1.00 0.00 C ATOM 144 C ILE A 10 14.153 8.226 1.916 1.00 0.00 C ATOM 145 O ILE A 10 15.356 8.042 2.107 1.00 0.00 O ATOM 146 CB ILE A 10 13.386 8.603 -0.469 1.00 0.00 C ATOM 147 CG1 ILE A 10 14.793 8.998 -0.952 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.586 9.839 -0.080 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.551 9.913 -0.010 1.00 0.00 C ATOM 150 H ILE A 10 11.335 7.511 0.663 1.00 0.00 H ATOM 151 HA ILE A 10 14.045 6.744 0.382 1.00 0.00 H ATOM 152 HB ILE A 10 12.865 8.122 -1.284 1.00 0.00 H ATOM 153 HG12 ILE A 10 15.383 8.103 -1.081 1.00 0.00 H ATOM 154 HG13 ILE A 10 14.706 9.502 -1.904 1.00 0.00 H ATOM 155 HG21 ILE A 10 13.150 10.427 0.629 1.00 0.00 H ATOM 156 HG22 ILE A 10 11.652 9.536 0.367 1.00 0.00 H ATOM 157 HG23 ILE A 10 12.387 10.431 -0.961 1.00 0.00 H ATOM 158 HD11 ILE A 10 16.333 9.354 0.483 1.00 0.00 H ATOM 159 HD12 ILE A 10 14.874 10.313 0.730 1.00 0.00 H ATOM 160 HD13 ILE A 10 15.989 10.724 -0.572 1.00 0.00 H ATOM 161 N ARG A 11 13.399 8.976 2.724 1.00 0.00 N ATOM 162 CA ARG A 11 13.961 9.641 3.902 1.00 0.00 C ATOM 163 C ARG A 11 14.499 8.640 4.931 1.00 0.00 C ATOM 164 O ARG A 11 15.640 8.767 5.379 1.00 0.00 O ATOM 165 CB ARG A 11 12.916 10.557 4.554 1.00 0.00 C ATOM 166 CG ARG A 11 13.395 11.203 5.847 1.00 0.00 C ATOM 167 CD ARG A 11 12.390 12.214 6.383 1.00 0.00 C ATOM 168 NE ARG A 11 12.778 12.735 7.695 1.00 0.00 N ATOM 169 CZ ARG A 11 13.868 13.477 7.924 1.00 0.00 C ATOM 170 NH1 ARG A 11 14.663 13.850 6.922 1.00 0.00 N ATOM 171 NH2 ARG A 11 14.154 13.863 9.163 1.00 0.00 N ATOM 172 H ARG A 11 12.447 9.091 2.521 1.00 0.00 H ATOM 173 HA ARG A 11 14.784 10.251 3.562 1.00 0.00 H ATOM 174 HB2 ARG A 11 12.660 11.343 3.859 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.030 9.979 4.772 1.00 0.00 H ATOM 176 HG2 ARG A 11 13.544 10.433 6.590 1.00 0.00 H ATOM 177 HG3 ARG A 11 14.332 11.706 5.658 1.00 0.00 H ATOM 178 HD2 ARG A 11 12.320 13.037 5.687 1.00 0.00 H ATOM 179 HD3 ARG A 11 11.426 11.735 6.467 1.00 0.00 H ATOM 180 HE ARG A 11 12.202 12.507 8.455 1.00 0.00 H ATOM 181 HH11 ARG A 11 14.451 13.579 5.984 1.00 0.00 H ATOM 182 HH12 ARG A 11 15.475 14.402 7.108 1.00 0.00 H ATOM 183 HH21 ARG A 11 13.555 13.599 9.920 1.00 0.00 H ATOM 184 HH22 ARG A 11 14.967 14.417 9.341 1.00 0.00 H ATOM 185 N ASP A 12 13.679 7.658 5.313 1.00 0.00 N ATOM 186 CA ASP A 12 14.094 6.660 6.303 1.00 0.00 C ATOM 187 C ASP A 12 15.060 5.632 5.708 1.00 0.00 C ATOM 188 O ASP A 12 16.174 5.462 6.206 1.00 0.00 O ATOM 189 CB ASP A 12 12.877 5.944 6.902 1.00 0.00 C ATOM 190 CG ASP A 12 11.944 6.888 7.642 1.00 0.00 C ATOM 191 OD1 ASP A 12 12.373 7.648 8.512 1.00 0.00 O ATOM 192 H ASP A 12 12.777 7.608 4.931 1.00 0.00 H ATOM 193 HA ASP A 12 14.606 7.187 7.095 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.322 5.470 6.107 1.00 0.00 H ATOM 195 HB3 ASP A 12 13.218 5.188 7.596 1.00 0.00 H ATOM 196 N VAL A 13 14.627 4.945 4.647 1.00 0.00 N ATOM 197 CA VAL A 13 15.459 3.929 3.999 1.00 0.00 C ATOM 198 C VAL A 13 16.619 4.567 3.233 1.00 0.00 C ATOM 199 O VAL A 13 17.786 4.313 3.531 1.00 0.00 O ATOM 200 CB VAL A 13 14.635 3.043 3.034 1.00 0.00 C ATOM 201 CG1 VAL A 13 15.495 1.924 2.463 1.00 0.00 C ATOM 202 CG2 VAL A 13 13.410 2.471 3.737 1.00 0.00 C ATOM 203 H VAL A 13 13.728 5.121 4.297 1.00 0.00 H ATOM 204 HA VAL A 13 15.865 3.294 4.774 1.00 0.00 H ATOM 205 HB VAL A 13 14.297 3.658 2.213 1.00 0.00 H ATOM 206 HG11 VAL A 13 16.273 2.348 1.845 1.00 0.00 H ATOM 207 HG12 VAL A 13 14.880 1.267 1.865 1.00 0.00 H ATOM 208 HG13 VAL A 13 15.941 1.364 3.271 1.00 0.00 H ATOM 209 HG21 VAL A 13 13.716 1.965 4.641 1.00 0.00 H ATOM 210 HG22 VAL A 13 12.915 1.770 3.081 1.00 0.00 H ATOM 211 HG23 VAL A 13 12.731 3.273 3.985 1.00 0.00 H HETATM 212 N NH2 A 14 16.300 5.398 2.245 1.00 0.00 N HETATM 213 HN1 NH2 A 14 15.350 5.557 2.059 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.028 5.819 1.741 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 17 HETATM 1 C ACE A 1 0.841 7.454 -2.071 1.00 0.00 C HETATM 2 O ACE A 1 1.666 7.248 -1.177 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.468 7.844 -1.755 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.590 8.897 -1.969 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.656 7.664 -0.707 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.168 7.272 -2.343 1.00 0.00 H HETATM 7 N ALN A 2 1.141 7.327 -3.368 1.00 0.00 N HETATM 8 CA ALN A 2 2.477 6.930 -3.813 1.00 0.00 C HETATM 9 C ALN A 2 3.515 7.959 -3.384 1.00 0.00 C HETATM 10 O ALN A 2 4.548 7.611 -2.815 1.00 0.00 O HETATM 11 CB ALN A 2 2.519 6.741 -5.335 1.00 0.00 C HETATM 12 CG1 ALN A 2 1.885 5.455 -5.816 1.00 0.00 C HETATM 13 CD1 ALN A 2 0.636 5.077 -5.344 1.00 0.00 C HETATM 14 CE1 ALN A 2 0.048 3.904 -5.773 1.00 0.00 C HETATM 15 CD2 ALN A 2 2.548 4.638 -6.732 1.00 0.00 C HETATM 16 CE2 ALN A 2 1.955 3.461 -7.159 1.00 0.00 C HETATM 17 CZ1 ALN A 2 0.709 3.099 -6.678 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.799 4.988 -7.223 1.00 0.00 C HETATM 19 CD3 ALN A 2 4.451 4.175 -8.129 1.00 0.00 C HETATM 20 CE3 ALN A 2 3.856 3.002 -8.553 1.00 0.00 C HETATM 21 CZ2 ALN A 2 2.612 2.648 -8.068 1.00 0.00 C HETATM 22 H ALN A 2 0.448 7.510 -4.038 1.00 0.00 H HETATM 23 HA ALN A 2 2.711 5.990 -3.339 1.00 0.00 H HETATM 24 HB2 ALN A 2 1.997 7.562 -5.805 1.00 0.00 H HETATM 25 HB3 ALN A 2 3.547 6.748 -5.657 1.00 0.00 H HETATM 26 HD1 ALN A 2 0.121 5.708 -4.636 1.00 0.00 H HETATM 27 HE1 ALN A 2 -0.924 3.617 -5.400 1.00 0.00 H HETATM 28 HZ1 ALN A 2 0.253 2.180 -7.016 1.00 0.00 H HETATM 29 HG2 ALN A 2 4.262 5.904 -6.894 1.00 0.00 H HETATM 30 HD3 ALN A 2 5.423 4.455 -8.506 1.00 0.00 H HETATM 31 HE3 ALN A 2 4.363 2.364 -9.261 1.00 0.00 H HETATM 32 HZ2 ALN A 2 2.145 1.732 -8.398 1.00 0.00 H ATOM 33 N LYS A 3 3.225 9.227 -3.645 1.00 0.00 N ATOM 34 CA LYS A 3 4.132 10.308 -3.269 1.00 0.00 C ATOM 35 C LYS A 3 4.555 10.172 -1.813 1.00 0.00 C ATOM 36 O LYS A 3 5.746 10.120 -1.500 1.00 0.00 O ATOM 37 CB LYS A 3 3.455 11.666 -3.472 1.00 0.00 C ATOM 38 CG LYS A 3 4.232 12.829 -2.872 1.00 0.00 C ATOM 39 CD LYS A 3 5.644 12.916 -3.431 1.00 0.00 C ATOM 40 CE LYS A 3 6.558 13.709 -2.510 1.00 0.00 C ATOM 41 NZ LYS A 3 6.796 13.012 -1.243 1.00 0.00 N ATOM 42 H LYS A 3 2.379 9.442 -4.089 1.00 0.00 H ATOM 43 HA LYS A 3 5.007 10.249 -3.899 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.338 11.841 -4.525 1.00 0.00 H ATOM 45 HB3 LYS A 3 2.479 11.640 -3.011 1.00 0.00 H ATOM 46 HG2 LYS A 3 3.713 13.748 -3.096 1.00 0.00 H ATOM 47 HG3 LYS A 3 4.285 12.698 -1.801 1.00 0.00 H ATOM 48 HD2 LYS A 3 6.042 11.918 -3.543 1.00 0.00 H ATOM 49 HD3 LYS A 3 5.610 13.402 -4.396 1.00 0.00 H ATOM 50 HE2 LYS A 3 7.503 13.864 -3.009 1.00 0.00 H ATOM 51 HE3 LYS A 3 6.099 14.664 -2.304 1.00 0.00 H ATOM 52 HZ1 LYS A 3 6.032 12.567 -0.820 1.00 0.00 H ATOM 53 N ASP A 4 3.559 10.121 -0.932 1.00 0.00 N ATOM 54 CA ASP A 4 3.791 9.995 0.508 1.00 0.00 C ATOM 55 C ASP A 4 4.741 8.839 0.822 1.00 0.00 C ATOM 56 O ASP A 4 5.602 8.957 1.695 1.00 0.00 O ATOM 57 CB ASP A 4 2.463 9.786 1.245 1.00 0.00 C ATOM 58 CG ASP A 4 1.497 10.939 1.046 1.00 0.00 C ATOM 59 OD1 ASP A 4 1.829 12.072 1.455 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.409 10.709 0.477 1.00 0.00 O ATOM 61 H ASP A 4 2.636 10.177 -1.265 1.00 0.00 H ATOM 62 HA ASP A 4 4.239 10.916 0.852 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.996 8.883 0.882 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.659 9.683 2.303 1.00 0.00 H ATOM 65 N GLU A 5 4.576 7.725 0.105 1.00 0.00 N ATOM 66 CA GLU A 5 5.415 6.545 0.303 1.00 0.00 C ATOM 67 C GLU A 5 6.883 6.836 -0.020 1.00 0.00 C ATOM 68 O GLU A 5 7.773 6.438 0.731 1.00 0.00 O ATOM 69 CB GLU A 5 4.907 5.382 -0.559 1.00 0.00 C ATOM 70 CG GLU A 5 5.704 4.090 -0.396 1.00 0.00 C ATOM 71 CD GLU A 5 5.606 3.477 0.997 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.865 4.017 1.849 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.270 2.447 1.233 1.00 0.00 O ATOM 74 H GLU A 5 3.871 7.697 -0.576 1.00 0.00 H ATOM 75 HA GLU A 5 5.341 6.265 1.343 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.879 5.179 -0.299 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.952 5.675 -1.598 1.00 0.00 H ATOM 78 HG2 GLU A 5 5.337 3.368 -1.109 1.00 0.00 H ATOM 79 HG3 GLU A 5 6.743 4.299 -0.605 1.00 0.00 H ATOM 80 N PHE A 6 7.132 7.523 -1.138 1.00 0.00 N ATOM 81 CA PHE A 6 8.502 7.851 -1.549 1.00 0.00 C ATOM 82 C PHE A 6 9.162 8.837 -0.586 1.00 0.00 C ATOM 83 O PHE A 6 10.271 8.594 -0.107 1.00 0.00 O ATOM 84 CB PHE A 6 8.530 8.431 -2.966 1.00 0.00 C ATOM 85 CG PHE A 6 8.048 7.480 -4.025 1.00 0.00 C ATOM 86 CD1 PHE A 6 8.856 6.443 -4.463 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.787 7.621 -4.576 1.00 0.00 C ATOM 88 CE1 PHE A 6 8.413 5.565 -5.434 1.00 0.00 C ATOM 89 CE2 PHE A 6 6.338 6.747 -5.546 1.00 0.00 C ATOM 90 CZ PHE A 6 7.152 5.718 -5.976 1.00 0.00 C ATOM 91 H PHE A 6 6.381 7.811 -1.701 1.00 0.00 H ATOM 92 HA PHE A 6 9.072 6.933 -1.541 1.00 0.00 H ATOM 93 HB2 PHE A 6 7.901 9.308 -2.998 1.00 0.00 H ATOM 94 HB3 PHE A 6 9.544 8.715 -3.209 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.842 6.323 -4.039 1.00 0.00 H ATOM 96 HD2 PHE A 6 6.150 8.426 -4.242 1.00 0.00 H ATOM 97 HE1 PHE A 6 9.051 4.761 -5.768 1.00 0.00 H ATOM 98 HE2 PHE A 6 5.353 6.869 -5.967 1.00 0.00 H ATOM 99 HZ PHE A 6 6.803 5.033 -6.734 1.00 0.00 H ATOM 100 N ASP A 7 8.479 9.951 -0.314 1.00 0.00 N ATOM 101 CA ASP A 7 9.006 10.980 0.586 1.00 0.00 C ATOM 102 C ASP A 7 9.283 10.422 1.984 1.00 0.00 C ATOM 103 O ASP A 7 10.258 10.813 2.627 1.00 0.00 O ATOM 104 CB ASP A 7 8.046 12.173 0.662 1.00 0.00 C ATOM 105 CG ASP A 7 7.986 12.946 -0.646 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.999 13.471 -1.111 1.00 0.00 O ATOM 107 H ASP A 7 7.603 10.088 -0.733 1.00 0.00 H ATOM 108 HA ASP A 7 9.942 11.321 0.168 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.054 11.815 0.896 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.376 12.844 1.441 1.00 0.00 H ATOM 111 N LYS A 8 8.430 9.509 2.452 1.00 0.00 N ATOM 112 CA LYS A 8 8.606 8.906 3.773 1.00 0.00 C ATOM 113 C LYS A 8 9.699 7.834 3.748 1.00 0.00 C ATOM 114 O LYS A 8 10.562 7.799 4.628 1.00 0.00 O ATOM 115 CB LYS A 8 7.280 8.307 4.276 1.00 0.00 C ATOM 116 CG LYS A 8 7.361 7.708 5.678 1.00 0.00 C ATOM 117 CD LYS A 8 8.065 6.356 5.682 1.00 0.00 C ATOM 118 CE LYS A 8 8.904 6.163 6.936 1.00 0.00 C ATOM 119 NZ LYS A 8 10.205 5.569 6.628 1.00 0.00 N ATOM 120 H LYS A 8 7.670 9.231 1.897 1.00 0.00 H ATOM 121 HA LYS A 8 8.910 9.690 4.450 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.530 9.084 4.286 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.969 7.530 3.594 1.00 0.00 H ATOM 124 HG2 LYS A 8 7.907 8.385 6.316 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.359 7.582 6.061 1.00 0.00 H ATOM 126 HD2 LYS A 8 7.319 5.577 5.643 1.00 0.00 H ATOM 127 HD3 LYS A 8 8.702 6.283 4.818 1.00 0.00 H ATOM 128 HE2 LYS A 8 9.058 7.124 7.405 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.372 5.512 7.615 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.297 5.103 5.770 1.00 0.00 H ATOM 131 N SER A 9 9.640 6.951 2.746 1.00 0.00 N ATOM 132 CA SER A 9 10.605 5.855 2.610 1.00 0.00 C ATOM 133 C SER A 9 12.051 6.352 2.582 1.00 0.00 C ATOM 134 O SER A 9 12.913 5.785 3.253 1.00 0.00 O ATOM 135 CB SER A 9 10.315 5.044 1.343 1.00 0.00 C ATOM 136 OG SER A 9 11.210 3.950 1.218 1.00 0.00 O ATOM 137 H SER A 9 8.917 7.027 2.089 1.00 0.00 H ATOM 138 HA SER A 9 10.484 5.209 3.466 1.00 0.00 H ATOM 139 HB2 SER A 9 9.306 4.662 1.385 1.00 0.00 H ATOM 140 HB3 SER A 9 10.423 5.681 0.478 1.00 0.00 H ATOM 141 HG SER A 9 10.854 3.190 1.684 1.00 0.00 H ATOM 142 N ILE A 10 12.316 7.397 1.796 1.00 0.00 N ATOM 143 CA ILE A 10 13.670 7.945 1.682 1.00 0.00 C ATOM 144 C ILE A 10 14.227 8.382 3.041 1.00 0.00 C ATOM 145 O ILE A 10 15.423 8.231 3.297 1.00 0.00 O ATOM 146 CB ILE A 10 13.745 9.118 0.669 1.00 0.00 C ATOM 147 CG1 ILE A 10 12.810 10.268 1.063 1.00 0.00 C ATOM 148 CG2 ILE A 10 13.419 8.628 -0.735 1.00 0.00 C ATOM 149 CD1 ILE A 10 13.407 11.221 2.077 1.00 0.00 C ATOM 150 H ILE A 10 11.590 7.802 1.275 1.00 0.00 H ATOM 151 HA ILE A 10 14.300 7.150 1.306 1.00 0.00 H ATOM 152 HB ILE A 10 14.762 9.483 0.660 1.00 0.00 H ATOM 153 HG12 ILE A 10 12.562 10.840 0.181 1.00 0.00 H ATOM 154 HG13 ILE A 10 11.905 9.858 1.486 1.00 0.00 H ATOM 155 HG21 ILE A 10 14.335 8.379 -1.250 1.00 0.00 H ATOM 156 HG22 ILE A 10 12.900 9.406 -1.277 1.00 0.00 H ATOM 157 HG23 ILE A 10 12.790 7.751 -0.674 1.00 0.00 H ATOM 158 HD11 ILE A 10 14.193 10.723 2.624 1.00 0.00 H ATOM 159 HD12 ILE A 10 12.639 11.544 2.763 1.00 0.00 H ATOM 160 HD13 ILE A 10 13.815 12.080 1.565 1.00 0.00 H ATOM 161 N ARG A 11 13.360 8.913 3.912 1.00 0.00 N ATOM 162 CA ARG A 11 13.785 9.356 5.242 1.00 0.00 C ATOM 163 C ARG A 11 14.228 8.169 6.099 1.00 0.00 C ATOM 164 O ARG A 11 15.288 8.211 6.725 1.00 0.00 O ATOM 165 CB ARG A 11 12.662 10.120 5.952 1.00 0.00 C ATOM 166 CG ARG A 11 12.261 11.409 5.249 1.00 0.00 C ATOM 167 CD ARG A 11 11.244 12.200 6.058 1.00 0.00 C ATOM 168 NE ARG A 11 9.994 11.464 6.255 1.00 0.00 N ATOM 169 CZ ARG A 11 8.952 11.934 6.945 1.00 0.00 C ATOM 170 NH1 ARG A 11 9.006 13.135 7.516 1.00 0.00 N ATOM 171 NH2 ARG A 11 7.852 11.199 7.068 1.00 0.00 N ATOM 172 H ARG A 11 12.417 9.003 3.657 1.00 0.00 H ATOM 173 HA ARG A 11 14.629 10.018 5.112 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.792 9.483 6.013 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.988 10.367 6.951 1.00 0.00 H ATOM 176 HG2 ARG A 11 13.141 12.018 5.105 1.00 0.00 H ATOM 177 HG3 ARG A 11 11.832 11.163 4.290 1.00 0.00 H ATOM 178 HD2 ARG A 11 11.670 12.427 7.023 1.00 0.00 H ATOM 179 HD3 ARG A 11 11.029 13.121 5.536 1.00 0.00 H ATOM 180 HE ARG A 11 9.925 10.575 5.849 1.00 0.00 H ATOM 181 HH11 ARG A 11 9.829 13.696 7.429 1.00 0.00 H ATOM 182 HH12 ARG A 11 8.222 13.479 8.032 1.00 0.00 H ATOM 183 HH21 ARG A 11 7.805 10.296 6.642 1.00 0.00 H ATOM 184 HH22 ARG A 11 7.072 11.548 7.586 1.00 0.00 H ATOM 185 N ASP A 12 13.412 7.111 6.118 1.00 0.00 N ATOM 186 CA ASP A 12 13.727 5.909 6.894 1.00 0.00 C ATOM 187 C ASP A 12 14.939 5.187 6.307 1.00 0.00 C ATOM 188 O ASP A 12 15.812 4.722 7.042 1.00 0.00 O ATOM 189 CB ASP A 12 12.526 4.955 6.937 1.00 0.00 C ATOM 190 CG ASP A 12 11.261 5.629 7.439 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.237 6.193 8.535 1.00 0.00 O ATOM 192 H ASP A 12 12.583 7.137 5.594 1.00 0.00 H ATOM 193 HA ASP A 12 13.964 6.220 7.901 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.339 4.577 5.943 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.756 4.128 7.594 1.00 0.00 H ATOM 196 N VAL A 13 14.983 5.101 4.975 1.00 0.00 N ATOM 197 CA VAL A 13 16.081 4.441 4.274 1.00 0.00 C ATOM 198 C VAL A 13 16.049 4.765 2.778 1.00 0.00 C ATOM 199 O VAL A 13 15.187 4.282 2.043 1.00 0.00 O ATOM 200 CB VAL A 13 16.045 2.906 4.479 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.717 2.319 4.015 1.00 0.00 C ATOM 202 CG2 VAL A 13 17.212 2.240 3.762 1.00 0.00 C ATOM 203 H VAL A 13 14.254 5.494 4.449 1.00 0.00 H ATOM 204 HA VAL A 13 17.006 4.815 4.690 1.00 0.00 H ATOM 205 HB VAL A 13 16.144 2.707 5.536 1.00 0.00 H ATOM 206 HG11 VAL A 13 14.780 2.071 2.966 1.00 0.00 H ATOM 207 HG12 VAL A 13 13.930 3.043 4.166 1.00 0.00 H ATOM 208 HG13 VAL A 13 14.500 1.427 4.583 1.00 0.00 H ATOM 209 HG21 VAL A 13 18.115 2.806 3.941 1.00 0.00 H ATOM 210 HG22 VAL A 13 17.012 2.208 2.701 1.00 0.00 H ATOM 211 HG23 VAL A 13 17.338 1.235 4.135 1.00 0.00 H HETATM 212 N NH2 A 14 16.987 5.593 2.329 1.00 0.00 N HETATM 213 HN1 NH2 A 14 17.644 5.941 2.967 1.00 0.00 H HETATM 214 HN2 NH2 A 14 16.984 5.821 1.376 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 18 HETATM 1 C ACE A 1 0.372 7.584 -1.191 1.00 0.00 C HETATM 2 O ACE A 1 1.370 7.324 -0.518 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.831 7.944 -0.567 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.966 9.014 -0.641 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.801 7.655 0.472 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.655 7.441 -1.052 1.00 0.00 H HETATM 7 N ALN A 2 0.372 7.540 -2.524 1.00 0.00 N HETATM 8 CA ALN A 2 1.568 7.178 -3.291 1.00 0.00 C HETATM 9 C ALN A 2 2.705 8.175 -3.057 1.00 0.00 C HETATM 10 O ALN A 2 3.874 7.787 -2.999 1.00 0.00 O HETATM 11 CB ALN A 2 1.230 7.066 -4.791 1.00 0.00 C HETATM 12 CG1 ALN A 2 0.636 8.317 -5.397 1.00 0.00 C HETATM 13 CD1 ALN A 2 -0.742 8.440 -5.482 1.00 0.00 C HETATM 14 CE1 ALN A 2 -1.314 9.572 -6.026 1.00 0.00 C HETATM 15 CD2 ALN A 2 1.451 9.349 -5.868 1.00 0.00 C HETATM 16 CE2 ALN A 2 0.871 10.485 -6.413 1.00 0.00 C HETATM 17 CZ1 ALN A 2 -0.508 10.590 -6.489 1.00 0.00 C HETATM 18 CG2 ALN A 2 2.835 9.254 -5.804 1.00 0.00 C HETATM 19 CD3 ALN A 2 3.632 10.281 -6.275 1.00 0.00 C HETATM 20 CE3 ALN A 2 3.049 11.412 -6.814 1.00 0.00 C HETATM 21 CZ2 ALN A 2 1.674 11.511 -6.882 1.00 0.00 C HETATM 22 H ALN A 2 -0.454 7.757 -3.006 1.00 0.00 H HETATM 23 HA ALN A 2 1.892 6.210 -2.941 1.00 0.00 H HETATM 24 HB2 ALN A 2 2.130 6.832 -5.337 1.00 0.00 H HETATM 25 HB3 ALN A 2 0.520 6.264 -4.928 1.00 0.00 H HETATM 26 HD1 ALN A 2 -1.370 7.640 -5.119 1.00 0.00 H HETATM 27 HE1 ALN A 2 -2.390 9.659 -6.088 1.00 0.00 H HETATM 28 HZ1 ALN A 2 -0.951 11.479 -6.913 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.290 8.371 -5.383 1.00 0.00 H HETATM 30 HD3 ALN A 2 4.707 10.200 -6.221 1.00 0.00 H HETATM 31 HE3 ALN A 2 3.668 12.217 -7.183 1.00 0.00 H HETATM 32 HZ2 ALN A 2 1.215 12.393 -7.303 1.00 0.00 H ATOM 33 N LYS A 3 2.357 9.458 -2.926 1.00 0.00 N ATOM 34 CA LYS A 3 3.349 10.508 -2.700 1.00 0.00 C ATOM 35 C LYS A 3 4.064 10.322 -1.366 1.00 0.00 C ATOM 36 O LYS A 3 5.278 10.115 -1.326 1.00 0.00 O ATOM 37 CB LYS A 3 2.685 11.889 -2.734 1.00 0.00 C ATOM 38 CG LYS A 3 3.600 13.012 -2.264 1.00 0.00 C ATOM 39 CD LYS A 3 4.896 13.046 -3.058 1.00 0.00 C ATOM 40 CE LYS A 3 6.023 13.693 -2.268 1.00 0.00 C ATOM 41 NZ LYS A 3 6.407 12.895 -1.100 1.00 0.00 N ATOM 42 H LYS A 3 1.410 9.703 -2.983 1.00 0.00 H ATOM 43 HA LYS A 3 4.077 10.451 -3.496 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.375 12.101 -3.742 1.00 0.00 H ATOM 45 HB3 LYS A 3 1.815 11.873 -2.095 1.00 0.00 H ATOM 46 HG2 LYS A 3 3.089 13.955 -2.389 1.00 0.00 H ATOM 47 HG3 LYS A 3 3.830 12.861 -1.220 1.00 0.00 H ATOM 48 HD2 LYS A 3 5.180 12.035 -3.305 1.00 0.00 H ATOM 49 HD3 LYS A 3 4.736 13.609 -3.966 1.00 0.00 H ATOM 50 HE2 LYS A 3 6.881 13.802 -2.914 1.00 0.00 H ATOM 51 HE3 LYS A 3 5.698 14.667 -1.935 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.687 12.508 -0.558 1.00 0.00 H ATOM 53 N ASP A 4 3.299 10.412 -0.279 1.00 0.00 N ATOM 54 CA ASP A 4 3.847 10.269 1.072 1.00 0.00 C ATOM 55 C ASP A 4 4.599 8.946 1.243 1.00 0.00 C ATOM 56 O ASP A 4 5.518 8.854 2.057 1.00 0.00 O ATOM 57 CB ASP A 4 2.737 10.395 2.128 1.00 0.00 C ATOM 58 CG ASP A 4 1.650 9.338 1.992 1.00 0.00 C ATOM 59 OD1 ASP A 4 1.940 8.145 2.224 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.506 9.708 1.654 1.00 0.00 O ATOM 61 H ASP A 4 2.340 10.591 -0.390 1.00 0.00 H ATOM 62 HA ASP A 4 4.550 11.076 1.218 1.00 0.00 H ATOM 63 HB2 ASP A 4 3.175 10.302 3.110 1.00 0.00 H ATOM 64 HB3 ASP A 4 2.277 11.369 2.039 1.00 0.00 H ATOM 65 N GLU A 5 4.200 7.925 0.481 1.00 0.00 N ATOM 66 CA GLU A 5 4.834 6.614 0.560 1.00 0.00 C ATOM 67 C GLU A 5 6.293 6.670 0.113 1.00 0.00 C ATOM 68 O GLU A 5 7.174 6.149 0.797 1.00 0.00 O ATOM 69 CB GLU A 5 4.067 5.600 -0.291 1.00 0.00 C ATOM 70 CG GLU A 5 3.721 4.322 0.455 1.00 0.00 C ATOM 71 CD GLU A 5 2.814 4.570 1.648 1.00 0.00 C ATOM 72 OE1 GLU A 5 1.673 5.037 1.442 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.247 4.302 2.788 1.00 0.00 O ATOM 74 H GLU A 5 3.459 8.057 -0.147 1.00 0.00 H ATOM 75 HA GLU A 5 4.802 6.297 1.592 1.00 0.00 H ATOM 76 HB2 GLU A 5 3.149 6.052 -0.633 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.670 5.337 -1.149 1.00 0.00 H ATOM 78 HG2 GLU A 5 3.221 3.648 -0.224 1.00 0.00 H ATOM 79 HG3 GLU A 5 4.637 3.866 0.805 1.00 0.00 H ATOM 80 N PHE A 6 6.545 7.296 -1.040 1.00 0.00 N ATOM 81 CA PHE A 6 7.905 7.399 -1.567 1.00 0.00 C ATOM 82 C PHE A 6 8.726 8.429 -0.787 1.00 0.00 C ATOM 83 O PHE A 6 9.892 8.186 -0.476 1.00 0.00 O ATOM 84 CB PHE A 6 7.879 7.718 -3.074 1.00 0.00 C ATOM 85 CG PHE A 6 8.054 9.171 -3.442 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.271 9.809 -3.252 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.006 9.890 -3.993 1.00 0.00 C ATOM 88 CE1 PHE A 6 9.438 11.134 -3.603 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.167 11.216 -4.344 1.00 0.00 C ATOM 90 CZ PHE A 6 8.384 11.839 -4.150 1.00 0.00 C ATOM 91 H PHE A 6 5.802 7.688 -1.546 1.00 0.00 H ATOM 92 HA PHE A 6 8.370 6.433 -1.433 1.00 0.00 H ATOM 93 HB2 PHE A 6 8.669 7.165 -3.558 1.00 0.00 H ATOM 94 HB3 PHE A 6 6.931 7.391 -3.475 1.00 0.00 H ATOM 95 HD1 PHE A 6 10.097 9.260 -2.824 1.00 0.00 H ATOM 96 HD2 PHE A 6 6.052 9.405 -4.143 1.00 0.00 H ATOM 97 HE1 PHE A 6 10.391 11.618 -3.450 1.00 0.00 H ATOM 98 HE2 PHE A 6 6.342 11.765 -4.772 1.00 0.00 H ATOM 99 HZ PHE A 6 8.512 12.875 -4.425 1.00 0.00 H ATOM 100 N ASP A 7 8.114 9.576 -0.472 1.00 0.00 N ATOM 101 CA ASP A 7 8.803 10.633 0.275 1.00 0.00 C ATOM 102 C ASP A 7 9.332 10.112 1.612 1.00 0.00 C ATOM 103 O ASP A 7 10.485 10.365 1.969 1.00 0.00 O ATOM 104 CB ASP A 7 7.879 11.834 0.513 1.00 0.00 C ATOM 105 CG ASP A 7 7.671 12.678 -0.734 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.634 13.138 -1.349 1.00 0.00 O ATOM 107 H ASP A 7 7.182 9.713 -0.748 1.00 0.00 H ATOM 108 HA ASP A 7 9.644 10.955 -0.322 1.00 0.00 H ATOM 109 HB2 ASP A 7 6.916 11.478 0.844 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.307 12.462 1.281 1.00 0.00 H ATOM 111 N LYS A 8 8.489 9.379 2.343 1.00 0.00 N ATOM 112 CA LYS A 8 8.879 8.816 3.637 1.00 0.00 C ATOM 113 C LYS A 8 9.977 7.762 3.446 1.00 0.00 C ATOM 114 O LYS A 8 10.971 7.754 4.174 1.00 0.00 O ATOM 115 CB LYS A 8 7.656 8.196 4.334 1.00 0.00 C ATOM 116 CG LYS A 8 7.776 8.090 5.855 1.00 0.00 C ATOM 117 CD LYS A 8 8.977 7.260 6.288 1.00 0.00 C ATOM 118 CE LYS A 8 8.900 5.832 5.765 1.00 0.00 C ATOM 119 NZ LYS A 8 10.225 5.245 5.568 1.00 0.00 N ATOM 120 H LYS A 8 7.586 9.208 2.001 1.00 0.00 H ATOM 121 HA LYS A 8 9.266 9.619 4.247 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.790 8.802 4.112 1.00 0.00 H ATOM 123 HB3 LYS A 8 7.498 7.204 3.938 1.00 0.00 H ATOM 124 HG2 LYS A 8 7.877 9.083 6.265 1.00 0.00 H ATOM 125 HG3 LYS A 8 6.877 7.632 6.242 1.00 0.00 H ATOM 126 HD2 LYS A 8 9.876 7.723 5.917 1.00 0.00 H ATOM 127 HD3 LYS A 8 9.008 7.234 7.368 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.354 5.232 6.476 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.376 5.835 4.821 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.422 4.873 4.685 1.00 0.00 H ATOM 131 N SER A 9 9.790 6.882 2.451 1.00 0.00 N ATOM 132 CA SER A 9 10.762 5.823 2.148 1.00 0.00 C ATOM 133 C SER A 9 12.189 6.366 2.076 1.00 0.00 C ATOM 134 O SER A 9 13.124 5.727 2.562 1.00 0.00 O ATOM 135 CB SER A 9 10.410 5.126 0.830 1.00 0.00 C ATOM 136 OG SER A 9 9.203 4.394 0.944 1.00 0.00 O ATOM 137 H SER A 9 8.979 6.950 1.904 1.00 0.00 H ATOM 138 HA SER A 9 10.713 5.098 2.944 1.00 0.00 H ATOM 139 HB2 SER A 9 10.295 5.866 0.053 1.00 0.00 H ATOM 140 HB3 SER A 9 11.206 4.445 0.562 1.00 0.00 H ATOM 141 HG SER A 9 8.498 4.866 0.496 1.00 0.00 H ATOM 142 N ILE A 10 12.349 7.543 1.468 1.00 0.00 N ATOM 143 CA ILE A 10 13.662 8.174 1.327 1.00 0.00 C ATOM 144 C ILE A 10 14.353 8.347 2.683 1.00 0.00 C ATOM 145 O ILE A 10 15.548 8.086 2.815 1.00 0.00 O ATOM 146 CB ILE A 10 13.547 9.554 0.639 1.00 0.00 C ATOM 147 CG1 ILE A 10 12.941 9.402 -0.761 1.00 0.00 C ATOM 148 CG2 ILE A 10 14.910 10.234 0.565 1.00 0.00 C ATOM 149 CD1 ILE A 10 12.701 10.719 -1.469 1.00 0.00 C ATOM 150 H ILE A 10 11.562 8.000 1.100 1.00 0.00 H ATOM 151 HA ILE A 10 14.272 7.537 0.703 1.00 0.00 H ATOM 152 HB ILE A 10 12.898 10.175 1.238 1.00 0.00 H ATOM 153 HG12 ILE A 10 13.609 8.815 -1.373 1.00 0.00 H ATOM 154 HG13 ILE A 10 11.994 8.892 -0.680 1.00 0.00 H ATOM 155 HG21 ILE A 10 15.688 9.484 0.550 1.00 0.00 H ATOM 156 HG22 ILE A 10 15.041 10.872 1.427 1.00 0.00 H ATOM 157 HG23 ILE A 10 14.969 10.831 -0.334 1.00 0.00 H ATOM 158 HD11 ILE A 10 13.158 11.521 -0.907 1.00 0.00 H ATOM 159 HD12 ILE A 10 11.638 10.896 -1.548 1.00 0.00 H ATOM 160 HD13 ILE A 10 13.133 10.680 -2.458 1.00 0.00 H ATOM 161 N ARG A 11 13.599 8.796 3.681 1.00 0.00 N ATOM 162 CA ARG A 11 14.148 9.014 5.018 1.00 0.00 C ATOM 163 C ARG A 11 14.445 7.695 5.742 1.00 0.00 C ATOM 164 O ARG A 11 15.484 7.566 6.393 1.00 0.00 O ATOM 165 CB ARG A 11 13.188 9.868 5.855 1.00 0.00 C ATOM 166 CG ARG A 11 13.710 10.196 7.246 1.00 0.00 C ATOM 167 CD ARG A 11 12.772 11.141 7.982 1.00 0.00 C ATOM 168 NE ARG A 11 13.265 11.484 9.317 1.00 0.00 N ATOM 169 CZ ARG A 11 12.625 12.297 10.163 1.00 0.00 C ATOM 170 NH1 ARG A 11 11.468 12.860 9.816 1.00 0.00 N ATOM 171 NH2 ARG A 11 13.143 12.550 11.361 1.00 0.00 N ATOM 172 H ARG A 11 12.654 8.995 3.513 1.00 0.00 H ATOM 173 HA ARG A 11 15.076 9.553 4.902 1.00 0.00 H ATOM 174 HB2 ARG A 11 13.007 10.796 5.335 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.254 9.337 5.961 1.00 0.00 H ATOM 176 HG2 ARG A 11 13.797 9.281 7.813 1.00 0.00 H ATOM 177 HG3 ARG A 11 14.681 10.662 7.158 1.00 0.00 H ATOM 178 HD2 ARG A 11 12.672 12.047 7.404 1.00 0.00 H ATOM 179 HD3 ARG A 11 11.806 10.667 8.076 1.00 0.00 H ATOM 180 HE ARG A 11 14.117 11.088 9.600 1.00 0.00 H ATOM 181 HH11 ARG A 11 11.071 12.677 8.916 1.00 0.00 H ATOM 182 HH12 ARG A 11 10.995 13.466 10.456 1.00 0.00 H ATOM 183 HH21 ARG A 11 14.013 12.133 11.628 1.00 0.00 H ATOM 184 HH22 ARG A 11 12.665 13.158 11.995 1.00 0.00 H ATOM 185 N ASP A 12 13.525 6.727 5.643 1.00 0.00 N ATOM 186 CA ASP A 12 13.697 5.431 6.313 1.00 0.00 C ATOM 187 C ASP A 12 14.961 4.711 5.836 1.00 0.00 C ATOM 188 O ASP A 12 15.795 4.311 6.649 1.00 0.00 O ATOM 189 CB ASP A 12 12.477 4.530 6.084 1.00 0.00 C ATOM 190 CG ASP A 12 11.171 5.183 6.505 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.020 5.617 7.649 1.00 0.00 O ATOM 192 H ASP A 12 12.711 6.892 5.122 1.00 0.00 H ATOM 193 HA ASP A 12 13.793 5.622 7.372 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.412 4.287 5.034 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.601 3.619 6.651 1.00 0.00 H ATOM 196 N VAL A 13 15.095 4.546 4.517 1.00 0.00 N ATOM 197 CA VAL A 13 16.259 3.868 3.942 1.00 0.00 C ATOM 198 C VAL A 13 17.515 4.742 4.013 1.00 0.00 C ATOM 199 O VAL A 13 18.617 4.241 4.238 1.00 0.00 O ATOM 200 CB VAL A 13 16.015 3.443 2.475 1.00 0.00 C ATOM 201 CG1 VAL A 13 14.848 2.470 2.386 1.00 0.00 C ATOM 202 CG2 VAL A 13 15.775 4.654 1.582 1.00 0.00 C ATOM 203 H VAL A 13 14.395 4.884 3.920 1.00 0.00 H ATOM 204 HA VAL A 13 16.433 2.973 4.522 1.00 0.00 H ATOM 205 HB VAL A 13 16.900 2.934 2.120 1.00 0.00 H ATOM 206 HG11 VAL A 13 13.929 2.986 2.621 1.00 0.00 H ATOM 207 HG12 VAL A 13 14.998 1.663 3.088 1.00 0.00 H ATOM 208 HG13 VAL A 13 14.790 2.068 1.384 1.00 0.00 H ATOM 209 HG21 VAL A 13 15.021 4.415 0.847 1.00 0.00 H ATOM 210 HG22 VAL A 13 16.694 4.919 1.082 1.00 0.00 H ATOM 211 HG23 VAL A 13 15.441 5.486 2.184 1.00 0.00 H HETATM 212 N NH2 A 14 17.354 6.050 3.827 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.451 6.388 3.652 1.00 0.00 H HETATM 214 HN2 NH2 A 14 18.146 6.625 3.874 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 19 HETATM 1 C ACE A 1 0.780 7.921 -1.670 1.00 0.00 C HETATM 2 O ACE A 1 1.827 7.426 -1.250 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.341 8.026 -0.836 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.590 9.070 -0.696 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.125 7.576 0.120 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.174 7.513 -1.288 1.00 0.00 H HETATM 7 N ALN A 2 0.648 8.374 -2.920 1.00 0.00 N HETATM 8 CA ALN A 2 1.748 8.311 -3.885 1.00 0.00 C HETATM 9 C ALN A 2 2.994 9.026 -3.357 1.00 0.00 C HETATM 10 O ALN A 2 4.104 8.501 -3.460 1.00 0.00 O HETATM 11 CB ALN A 2 1.311 8.897 -5.243 1.00 0.00 C HETATM 12 CG1 ALN A 2 0.977 10.371 -5.218 1.00 0.00 C HETATM 13 CD1 ALN A 2 -0.335 10.771 -5.027 1.00 0.00 C HETATM 14 CE1 ALN A 2 -0.662 12.112 -4.999 1.00 0.00 C HETATM 15 CD2 ALN A 2 1.974 11.333 -5.385 1.00 0.00 C HETATM 16 CE2 ALN A 2 1.643 12.677 -5.356 1.00 0.00 C HETATM 17 CZ1 ALN A 2 0.327 13.061 -5.163 1.00 0.00 C HETATM 18 CG2 ALN A 2 3.297 10.959 -5.583 1.00 0.00 C HETATM 19 CD3 ALN A 2 4.281 11.915 -5.748 1.00 0.00 C HETATM 20 CE3 ALN A 2 3.948 13.256 -5.717 1.00 0.00 C HETATM 21 CZ2 ALN A 2 2.633 13.633 -5.521 1.00 0.00 C HETATM 22 H ALN A 2 -0.212 8.753 -3.200 1.00 0.00 H HETATM 23 HA ALN A 2 1.991 7.270 -4.025 1.00 0.00 H HETATM 24 HB2 ALN A 2 2.107 8.754 -5.957 1.00 0.00 H HETATM 25 HB3 ALN A 2 0.434 8.366 -5.585 1.00 0.00 H HETATM 26 HD1 ALN A 2 -1.104 10.024 -4.898 1.00 0.00 H HETATM 27 HE1 ALN A 2 -1.687 12.416 -4.848 1.00 0.00 H HETATM 28 HZ1 ALN A 2 0.076 14.110 -5.142 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.558 9.911 -5.606 1.00 0.00 H HETATM 30 HD3 ALN A 2 5.307 11.615 -5.901 1.00 0.00 H HETATM 31 HE3 ALN A 2 4.714 14.007 -5.846 1.00 0.00 H HETATM 32 HZ2 ALN A 2 2.370 14.679 -5.496 1.00 0.00 H ATOM 33 N LYS A 3 2.808 10.220 -2.789 1.00 0.00 N ATOM 34 CA LYS A 3 3.925 10.991 -2.249 1.00 0.00 C ATOM 35 C LYS A 3 4.353 10.435 -0.888 1.00 0.00 C ATOM 36 O LYS A 3 5.543 10.242 -0.639 1.00 0.00 O ATOM 37 CB LYS A 3 3.549 12.477 -2.123 1.00 0.00 C ATOM 38 CG LYS A 3 4.722 13.433 -2.339 1.00 0.00 C ATOM 39 CD LYS A 3 5.899 13.109 -1.433 1.00 0.00 C ATOM 40 CE LYS A 3 5.563 13.329 0.036 1.00 0.00 C ATOM 41 NZ LYS A 3 6.312 12.430 0.915 1.00 0.00 N ATOM 42 H LYS A 3 1.900 10.586 -2.732 1.00 0.00 H ATOM 43 HA LYS A 3 4.752 10.897 -2.937 1.00 0.00 H ATOM 44 HB2 LYS A 3 2.790 12.707 -2.857 1.00 0.00 H ATOM 45 HB3 LYS A 3 3.147 12.654 -1.136 1.00 0.00 H ATOM 46 HG2 LYS A 3 5.045 13.362 -3.367 1.00 0.00 H ATOM 47 HG3 LYS A 3 4.391 14.441 -2.137 1.00 0.00 H ATOM 48 HD2 LYS A 3 6.180 12.078 -1.577 1.00 0.00 H ATOM 49 HD3 LYS A 3 6.728 13.747 -1.701 1.00 0.00 H ATOM 50 HE2 LYS A 3 5.802 14.350 0.297 1.00 0.00 H ATOM 51 HE3 LYS A 3 4.505 13.161 0.180 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.810 11.987 1.633 1.00 0.00 H ATOM 53 N ASP A 4 3.372 10.175 -0.014 1.00 0.00 N ATOM 54 CA ASP A 4 3.641 9.642 1.327 1.00 0.00 C ATOM 55 C ASP A 4 4.584 8.439 1.284 1.00 0.00 C ATOM 56 O ASP A 4 5.568 8.392 2.024 1.00 0.00 O ATOM 57 CB ASP A 4 2.329 9.252 2.019 1.00 0.00 C ATOM 58 CG ASP A 4 2.555 8.456 3.295 1.00 0.00 C ATOM 59 OD1 ASP A 4 3.218 8.982 4.216 1.00 0.00 O ATOM 60 OD2 ASP A 4 2.074 7.306 3.370 1.00 0.00 O ATOM 61 H ASP A 4 2.443 10.349 -0.278 1.00 0.00 H ATOM 62 HA ASP A 4 4.112 10.425 1.900 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.784 10.150 2.271 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.735 8.654 1.343 1.00 0.00 H ATOM 65 N GLU A 5 4.279 7.474 0.418 1.00 0.00 N ATOM 66 CA GLU A 5 5.101 6.273 0.280 1.00 0.00 C ATOM 67 C GLU A 5 6.501 6.614 -0.232 1.00 0.00 C ATOM 68 O GLU A 5 7.491 6.060 0.246 1.00 0.00 O ATOM 69 CB GLU A 5 4.427 5.277 -0.663 1.00 0.00 C ATOM 70 CG GLU A 5 3.093 4.756 -0.145 1.00 0.00 C ATOM 71 CD GLU A 5 2.340 3.905 -1.158 1.00 0.00 C ATOM 72 OE1 GLU A 5 2.853 3.702 -2.280 1.00 0.00 O ATOM 73 OE2 GLU A 5 1.231 3.440 -0.824 1.00 0.00 O ATOM 74 H GLU A 5 3.482 7.571 -0.143 1.00 0.00 H ATOM 75 HA GLU A 5 5.191 5.822 1.258 1.00 0.00 H ATOM 76 HB2 GLU A 5 4.257 5.760 -1.614 1.00 0.00 H ATOM 77 HB3 GLU A 5 5.087 4.435 -0.808 1.00 0.00 H ATOM 78 HG2 GLU A 5 3.276 4.155 0.734 1.00 0.00 H ATOM 79 HG3 GLU A 5 2.474 5.599 0.124 1.00 0.00 H ATOM 80 N PHE A 6 6.574 7.524 -1.207 1.00 0.00 N ATOM 81 CA PHE A 6 7.855 7.932 -1.784 1.00 0.00 C ATOM 82 C PHE A 6 8.774 8.538 -0.717 1.00 0.00 C ATOM 83 O PHE A 6 9.966 8.227 -0.666 1.00 0.00 O ATOM 84 CB PHE A 6 7.631 8.946 -2.913 1.00 0.00 C ATOM 85 CG PHE A 6 8.727 8.952 -3.943 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.032 7.800 -4.652 1.00 0.00 C ATOM 87 CD2 PHE A 6 9.446 10.106 -4.209 1.00 0.00 C ATOM 88 CE1 PHE A 6 10.031 7.798 -5.605 1.00 0.00 C ATOM 89 CE2 PHE A 6 10.447 10.111 -5.162 1.00 0.00 C ATOM 90 CZ PHE A 6 10.741 8.955 -5.860 1.00 0.00 C ATOM 91 H PHE A 6 5.748 7.928 -1.548 1.00 0.00 H ATOM 92 HA PHE A 6 8.329 7.051 -2.192 1.00 0.00 H ATOM 93 HB2 PHE A 6 6.704 8.717 -3.417 1.00 0.00 H ATOM 94 HB3 PHE A 6 7.568 9.937 -2.488 1.00 0.00 H ATOM 95 HD1 PHE A 6 8.477 6.894 -4.454 1.00 0.00 H ATOM 96 HD2 PHE A 6 9.219 11.010 -3.663 1.00 0.00 H ATOM 97 HE1 PHE A 6 10.258 6.894 -6.149 1.00 0.00 H ATOM 98 HE2 PHE A 6 11.000 11.018 -5.360 1.00 0.00 H ATOM 99 HZ PHE A 6 11.523 8.957 -6.605 1.00 0.00 H ATOM 100 N ASP A 7 8.213 9.408 0.131 1.00 0.00 N ATOM 101 CA ASP A 7 8.984 10.059 1.193 1.00 0.00 C ATOM 102 C ASP A 7 9.363 9.067 2.291 1.00 0.00 C ATOM 103 O ASP A 7 10.498 9.054 2.753 1.00 0.00 O ATOM 104 CB ASP A 7 8.194 11.214 1.824 1.00 0.00 C ATOM 105 CG ASP A 7 7.620 12.180 0.804 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.339 12.692 -0.057 1.00 0.00 O ATOM 107 H ASP A 7 7.260 9.617 0.037 1.00 0.00 H ATOM 108 HA ASP A 7 9.889 10.451 0.753 1.00 0.00 H ATOM 109 HB2 ASP A 7 7.377 10.807 2.401 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.849 11.766 2.483 1.00 0.00 H ATOM 111 N LYS A 8 8.400 8.252 2.718 1.00 0.00 N ATOM 112 CA LYS A 8 8.632 7.275 3.781 1.00 0.00 C ATOM 113 C LYS A 8 9.712 6.258 3.395 1.00 0.00 C ATOM 114 O LYS A 8 10.543 5.884 4.223 1.00 0.00 O ATOM 115 CB LYS A 8 7.323 6.552 4.130 1.00 0.00 C ATOM 116 CG LYS A 8 7.421 5.592 5.314 1.00 0.00 C ATOM 117 CD LYS A 8 7.368 6.310 6.664 1.00 0.00 C ATOM 118 CE LYS A 8 8.519 7.290 6.856 1.00 0.00 C ATOM 119 NZ LYS A 8 9.823 6.658 6.658 1.00 0.00 N ATOM 120 H LYS A 8 7.507 8.316 2.318 1.00 0.00 H ATOM 121 HA LYS A 8 8.971 7.818 4.646 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.572 7.292 4.362 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.999 5.988 3.268 1.00 0.00 H ATOM 124 HG2 LYS A 8 6.597 4.896 5.263 1.00 0.00 H ATOM 125 HG3 LYS A 8 8.352 5.047 5.244 1.00 0.00 H ATOM 126 HD2 LYS A 8 6.439 6.854 6.732 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.406 5.570 7.450 1.00 0.00 H ATOM 128 HE2 LYS A 8 8.409 8.100 6.152 1.00 0.00 H ATOM 129 HE3 LYS A 8 8.472 7.683 7.861 1.00 0.00 H ATOM 130 HZ1 LYS A 8 9.866 5.896 6.044 1.00 0.00 H ATOM 131 N SER A 9 9.690 5.803 2.146 1.00 0.00 N ATOM 132 CA SER A 9 10.662 4.816 1.675 1.00 0.00 C ATOM 133 C SER A 9 12.079 5.398 1.566 1.00 0.00 C ATOM 134 O SER A 9 13.038 4.793 2.043 1.00 0.00 O ATOM 135 CB SER A 9 10.224 4.243 0.324 1.00 0.00 C ATOM 136 OG SER A 9 10.121 5.259 -0.660 1.00 0.00 O ATOM 137 H SER A 9 8.998 6.128 1.530 1.00 0.00 H ATOM 138 HA SER A 9 10.680 4.012 2.397 1.00 0.00 H ATOM 139 HB2 SER A 9 10.948 3.513 -0.006 1.00 0.00 H ATOM 140 HB3 SER A 9 9.260 3.768 0.434 1.00 0.00 H ATOM 141 HG SER A 9 10.797 5.128 -1.329 1.00 0.00 H ATOM 142 N ILE A 10 12.204 6.552 0.909 1.00 0.00 N ATOM 143 CA ILE A 10 13.510 7.191 0.702 1.00 0.00 C ATOM 144 C ILE A 10 14.004 7.998 1.914 1.00 0.00 C ATOM 145 O ILE A 10 15.179 7.921 2.269 1.00 0.00 O ATOM 146 CB ILE A 10 13.479 8.127 -0.529 1.00 0.00 C ATOM 147 CG1 ILE A 10 13.102 7.341 -1.791 1.00 0.00 C ATOM 148 CG2 ILE A 10 14.827 8.816 -0.711 1.00 0.00 C ATOM 149 CD1 ILE A 10 12.948 8.204 -3.025 1.00 0.00 C ATOM 150 H ILE A 10 11.404 6.973 0.529 1.00 0.00 H ATOM 151 HA ILE A 10 14.225 6.407 0.500 1.00 0.00 H ATOM 152 HB ILE A 10 12.734 8.890 -0.354 1.00 0.00 H ATOM 153 HG12 ILE A 10 13.870 6.610 -1.994 1.00 0.00 H ATOM 154 HG13 ILE A 10 12.163 6.833 -1.623 1.00 0.00 H ATOM 155 HG21 ILE A 10 15.621 8.126 -0.462 1.00 0.00 H ATOM 156 HG22 ILE A 10 14.882 9.677 -0.061 1.00 0.00 H ATOM 157 HG23 ILE A 10 14.936 9.133 -1.737 1.00 0.00 H ATOM 158 HD11 ILE A 10 12.394 7.662 -3.776 1.00 0.00 H ATOM 159 HD12 ILE A 10 13.925 8.458 -3.412 1.00 0.00 H ATOM 160 HD13 ILE A 10 12.417 9.109 -2.769 1.00 0.00 H ATOM 161 N ARG A 11 13.125 8.808 2.507 1.00 0.00 N ATOM 162 CA ARG A 11 13.507 9.670 3.636 1.00 0.00 C ATOM 163 C ARG A 11 13.895 8.888 4.898 1.00 0.00 C ATOM 164 O ARG A 11 14.937 9.169 5.495 1.00 0.00 O ATOM 165 CB ARG A 11 12.384 10.665 3.944 1.00 0.00 C ATOM 166 CG ARG A 11 12.810 11.813 4.848 1.00 0.00 C ATOM 167 CD ARG A 11 11.885 13.013 4.695 1.00 0.00 C ATOM 168 NE ARG A 11 11.865 13.521 3.319 1.00 0.00 N ATOM 169 CZ ARG A 11 11.079 14.517 2.895 1.00 0.00 C ATOM 170 NH1 ARG A 11 10.255 15.136 3.736 1.00 0.00 N ATOM 171 NH2 ARG A 11 11.123 14.899 1.623 1.00 0.00 N ATOM 172 H ARG A 11 12.210 8.858 2.157 1.00 0.00 H ATOM 173 HA ARG A 11 14.371 10.234 3.318 1.00 0.00 H ATOM 174 HB2 ARG A 11 12.024 11.081 3.016 1.00 0.00 H ATOM 175 HB3 ARG A 11 11.575 10.137 4.428 1.00 0.00 H ATOM 176 HG2 ARG A 11 12.781 11.478 5.875 1.00 0.00 H ATOM 177 HG3 ARG A 11 13.818 12.108 4.592 1.00 0.00 H ATOM 178 HD2 ARG A 11 10.884 12.719 4.975 1.00 0.00 H ATOM 179 HD3 ARG A 11 12.226 13.799 5.353 1.00 0.00 H ATOM 180 HE ARG A 11 12.467 13.095 2.672 1.00 0.00 H ATOM 181 HH11 ARG A 11 10.215 14.859 4.695 1.00 0.00 H ATOM 182 HH12 ARG A 11 9.673 15.881 3.408 1.00 0.00 H ATOM 183 HH21 ARG A 11 11.742 14.442 0.983 1.00 0.00 H ATOM 184 HH22 ARG A 11 10.536 15.644 1.303 1.00 0.00 H ATOM 185 N ASP A 12 13.069 7.924 5.316 1.00 0.00 N ATOM 186 CA ASP A 12 13.370 7.143 6.524 1.00 0.00 C ATOM 187 C ASP A 12 14.613 6.272 6.337 1.00 0.00 C ATOM 188 O ASP A 12 15.528 6.304 7.162 1.00 0.00 O ATOM 189 CB ASP A 12 12.189 6.256 6.929 1.00 0.00 C ATOM 190 CG ASP A 12 10.940 7.049 7.262 1.00 0.00 C ATOM 191 OD1 ASP A 12 10.981 7.987 8.060 1.00 0.00 O ATOM 192 H ASP A 12 12.247 7.741 4.815 1.00 0.00 H ATOM 193 HA ASP A 12 13.564 7.843 7.323 1.00 0.00 H ATOM 194 HB2 ASP A 12 11.960 5.583 6.117 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.467 5.678 7.799 1.00 0.00 H ATOM 196 N VAL A 13 14.632 5.489 5.256 1.00 0.00 N ATOM 197 CA VAL A 13 15.758 4.599 4.964 1.00 0.00 C ATOM 198 C VAL A 13 17.017 5.396 4.618 1.00 0.00 C ATOM 199 O VAL A 13 18.007 5.357 5.349 1.00 0.00 O ATOM 200 CB VAL A 13 15.423 3.627 3.806 1.00 0.00 C ATOM 201 CG1 VAL A 13 16.606 2.720 3.487 1.00 0.00 C ATOM 202 CG2 VAL A 13 14.190 2.797 4.141 1.00 0.00 C ATOM 203 H VAL A 13 13.868 5.506 4.642 1.00 0.00 H ATOM 204 HA VAL A 13 15.952 4.013 5.851 1.00 0.00 H ATOM 205 HB VAL A 13 15.204 4.213 2.926 1.00 0.00 H ATOM 206 HG11 VAL A 13 17.519 3.177 3.838 1.00 0.00 H ATOM 207 HG12 VAL A 13 16.667 2.571 2.419 1.00 0.00 H ATOM 208 HG13 VAL A 13 16.470 1.765 3.975 1.00 0.00 H ATOM 209 HG21 VAL A 13 13.618 3.293 4.911 1.00 0.00 H ATOM 210 HG22 VAL A 13 14.496 1.822 4.492 1.00 0.00 H ATOM 211 HG23 VAL A 13 13.581 2.685 3.256 1.00 0.00 H HETATM 212 N NH2 A 14 16.980 6.122 3.504 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.159 6.108 2.968 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.775 6.641 3.264 1.00 0.00 H TER 215 NH2 A 14 ENDMDL MODEL 20 HETATM 1 C ACE A 1 0.718 7.811 -2.011 1.00 0.00 C HETATM 2 O ACE A 1 1.624 7.201 -1.439 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.466 8.127 -1.328 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.289 8.154 -2.029 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.362 9.092 -0.856 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.657 7.382 -0.572 1.00 0.00 H HETATM 7 N ALN A 2 0.807 8.200 -3.285 1.00 0.00 N HETATM 8 CA ALN A 2 1.996 7.926 -4.095 1.00 0.00 C HETATM 9 C ALN A 2 3.210 8.661 -3.529 1.00 0.00 C HETATM 10 O ALN A 2 4.286 8.080 -3.375 1.00 0.00 O HETATM 11 CB ALN A 2 1.768 8.362 -5.548 1.00 0.00 C HETATM 12 CG1 ALN A 2 2.468 7.493 -6.562 1.00 0.00 C HETATM 13 CD1 ALN A 2 1.990 6.215 -6.806 1.00 0.00 C HETATM 14 CE1 ALN A 2 2.606 5.399 -7.734 1.00 0.00 C HETATM 15 CD2 ALN A 2 3.582 7.957 -7.263 1.00 0.00 C HETATM 16 CE2 ALN A 2 4.196 7.134 -8.196 1.00 0.00 C HETATM 17 CZ1 ALN A 2 3.706 5.860 -8.425 1.00 0.00 C HETATM 18 CG2 ALN A 2 4.087 9.231 -7.041 1.00 0.00 C HETATM 19 CD3 ALN A 2 5.193 9.680 -7.740 1.00 0.00 C HETATM 20 CE3 ALN A 2 5.802 8.856 -8.668 1.00 0.00 C HETATM 21 CZ2 ALN A 2 5.303 7.588 -8.892 1.00 0.00 C HETATM 22 H ALN A 2 0.055 8.684 -3.691 1.00 0.00 H HETATM 23 HA ALN A 2 2.183 6.864 -4.067 1.00 0.00 H HETATM 24 HB2 ALN A 2 0.710 8.331 -5.762 1.00 0.00 H HETATM 25 HB3 ALN A 2 2.123 9.374 -5.671 1.00 0.00 H HETATM 26 HD1 ALN A 2 1.127 5.858 -6.264 1.00 0.00 H HETATM 27 HE1 ALN A 2 2.226 4.404 -7.919 1.00 0.00 H HETATM 28 HZ1 ALN A 2 4.191 5.225 -9.153 1.00 0.00 H HETATM 29 HG2 ALN A 2 3.611 9.875 -6.317 1.00 0.00 H HETATM 30 HD3 ALN A 2 5.580 10.673 -7.562 1.00 0.00 H HETATM 31 HE3 ALN A 2 6.666 9.203 -9.216 1.00 0.00 H HETATM 32 HZ2 ALN A 2 5.777 6.942 -9.617 1.00 0.00 H ATOM 33 N LYS A 3 3.022 9.947 -3.229 1.00 0.00 N ATOM 34 CA LYS A 3 4.087 10.783 -2.685 1.00 0.00 C ATOM 35 C LYS A 3 4.324 10.469 -1.202 1.00 0.00 C ATOM 36 O LYS A 3 5.461 10.254 -0.785 1.00 0.00 O ATOM 37 CB LYS A 3 3.729 12.268 -2.860 1.00 0.00 C ATOM 38 CG LYS A 3 4.932 13.191 -3.031 1.00 0.00 C ATOM 39 CD LYS A 3 5.949 13.019 -1.913 1.00 0.00 C ATOM 40 CE LYS A 3 5.368 13.365 -0.547 1.00 0.00 C ATOM 41 NZ LYS A 3 5.984 12.570 0.515 1.00 0.00 N ATOM 42 H LYS A 3 2.139 10.344 -3.381 1.00 0.00 H ATOM 43 HA LYS A 3 4.992 10.570 -3.235 1.00 0.00 H ATOM 44 HB2 LYS A 3 3.103 12.371 -3.734 1.00 0.00 H ATOM 45 HB3 LYS A 3 3.173 12.595 -1.993 1.00 0.00 H ATOM 46 HG2 LYS A 3 5.411 12.967 -3.973 1.00 0.00 H ATOM 47 HG3 LYS A 3 4.588 14.215 -3.039 1.00 0.00 H ATOM 48 HD2 LYS A 3 6.285 11.994 -1.901 1.00 0.00 H ATOM 49 HD3 LYS A 3 6.790 13.669 -2.109 1.00 0.00 H ATOM 50 HE2 LYS A 3 5.542 14.413 -0.348 1.00 0.00 H ATOM 51 HE3 LYS A 3 4.305 13.173 -0.559 1.00 0.00 H ATOM 52 HZ1 LYS A 3 5.386 12.068 1.106 1.00 0.00 H ATOM 53 N ASP A 4 3.240 10.450 -0.414 1.00 0.00 N ATOM 54 CA ASP A 4 3.321 10.177 1.027 1.00 0.00 C ATOM 55 C ASP A 4 4.190 8.954 1.327 1.00 0.00 C ATOM 56 O ASP A 4 5.130 9.033 2.123 1.00 0.00 O ATOM 57 CB ASP A 4 1.916 9.964 1.603 1.00 0.00 C ATOM 58 CG ASP A 4 1.923 9.832 3.115 1.00 0.00 C ATOM 59 OD1 ASP A 4 2.319 10.803 3.795 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.533 8.757 3.620 1.00 0.00 O ATOM 61 H ASP A 4 2.363 10.636 -0.811 1.00 0.00 H ATOM 62 HA ASP A 4 3.762 11.040 1.501 1.00 0.00 H ATOM 63 HB2 ASP A 4 1.292 10.804 1.335 1.00 0.00 H ATOM 64 HB3 ASP A 4 1.496 9.061 1.182 1.00 0.00 H ATOM 65 N GLU A 5 3.873 7.830 0.684 1.00 0.00 N ATOM 66 CA GLU A 5 4.627 6.593 0.878 1.00 0.00 C ATOM 67 C GLU A 5 6.084 6.774 0.451 1.00 0.00 C ATOM 68 O GLU A 5 6.997 6.283 1.116 1.00 0.00 O ATOM 69 CB GLU A 5 3.985 5.445 0.090 1.00 0.00 C ATOM 70 CG GLU A 5 4.670 4.102 0.301 1.00 0.00 C ATOM 71 CD GLU A 5 4.657 3.656 1.753 1.00 0.00 C ATOM 72 OE1 GLU A 5 3.557 3.395 2.286 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.747 3.576 2.358 1.00 0.00 O ATOM 74 H GLU A 5 3.116 7.833 0.062 1.00 0.00 H ATOM 75 HA GLU A 5 4.602 6.352 1.931 1.00 0.00 H ATOM 76 HB2 GLU A 5 2.952 5.351 0.392 1.00 0.00 H ATOM 77 HB3 GLU A 5 4.023 5.683 -0.963 1.00 0.00 H ATOM 78 HG2 GLU A 5 4.162 3.356 -0.292 1.00 0.00 H ATOM 79 HG3 GLU A 5 5.696 4.181 -0.026 1.00 0.00 H ATOM 80 N PHE A 6 6.289 7.485 -0.659 1.00 0.00 N ATOM 81 CA PHE A 6 7.631 7.740 -1.179 1.00 0.00 C ATOM 82 C PHE A 6 8.482 8.530 -0.179 1.00 0.00 C ATOM 83 O PHE A 6 9.640 8.189 0.052 1.00 0.00 O ATOM 84 CB PHE A 6 7.555 8.492 -2.515 1.00 0.00 C ATOM 85 CG PHE A 6 8.901 8.874 -3.074 1.00 0.00 C ATOM 86 CD1 PHE A 6 9.914 7.933 -3.196 1.00 0.00 C ATOM 87 CD2 PHE A 6 9.155 10.178 -3.468 1.00 0.00 C ATOM 88 CE1 PHE A 6 11.153 8.288 -3.697 1.00 0.00 C ATOM 89 CE2 PHE A 6 10.392 10.538 -3.972 1.00 0.00 C ATOM 90 CZ PHE A 6 11.391 9.592 -4.086 1.00 0.00 C ATOM 91 H PHE A 6 5.517 7.850 -1.140 1.00 0.00 H ATOM 92 HA PHE A 6 8.101 6.783 -1.348 1.00 0.00 H ATOM 93 HB2 PHE A 6 7.058 7.869 -3.244 1.00 0.00 H ATOM 94 HB3 PHE A 6 6.984 9.399 -2.377 1.00 0.00 H ATOM 95 HD1 PHE A 6 9.729 6.912 -2.894 1.00 0.00 H ATOM 96 HD2 PHE A 6 8.375 10.920 -3.380 1.00 0.00 H ATOM 97 HE1 PHE A 6 11.934 7.547 -3.786 1.00 0.00 H ATOM 98 HE2 PHE A 6 10.576 11.558 -4.275 1.00 0.00 H ATOM 99 HZ PHE A 6 12.358 9.871 -4.477 1.00 0.00 H ATOM 100 N ASP A 7 7.906 9.588 0.404 1.00 0.00 N ATOM 101 CA ASP A 7 8.627 10.424 1.372 1.00 0.00 C ATOM 102 C ASP A 7 9.105 9.603 2.566 1.00 0.00 C ATOM 103 O ASP A 7 10.257 9.717 2.978 1.00 0.00 O ATOM 104 CB ASP A 7 7.748 11.585 1.853 1.00 0.00 C ATOM 105 CG ASP A 7 7.300 12.478 0.709 1.00 0.00 C ATOM 106 OD1 ASP A 7 8.127 13.062 0.007 1.00 0.00 O ATOM 107 H ASP A 7 6.981 9.814 0.175 1.00 0.00 H ATOM 108 HA ASP A 7 9.492 10.829 0.869 1.00 0.00 H ATOM 109 HB2 ASP A 7 6.872 11.189 2.342 1.00 0.00 H ATOM 110 HB3 ASP A 7 8.308 12.184 2.555 1.00 0.00 H ATOM 111 N LYS A 8 8.222 8.770 3.113 1.00 0.00 N ATOM 112 CA LYS A 8 8.577 7.929 4.252 1.00 0.00 C ATOM 113 C LYS A 8 9.647 6.909 3.850 1.00 0.00 C ATOM 114 O LYS A 8 10.640 6.729 4.551 1.00 0.00 O ATOM 115 CB LYS A 8 7.330 7.216 4.794 1.00 0.00 C ATOM 116 CG LYS A 8 7.589 6.268 5.964 1.00 0.00 C ATOM 117 CD LYS A 8 7.812 7.001 7.289 1.00 0.00 C ATOM 118 CE LYS A 8 9.167 7.700 7.364 1.00 0.00 C ATOM 119 NZ LYS A 8 10.281 6.789 7.095 1.00 0.00 N ATOM 120 H LYS A 8 7.318 8.714 2.739 1.00 0.00 H ATOM 121 HA LYS A 8 8.979 8.569 5.020 1.00 0.00 H ATOM 122 HB2 LYS A 8 6.622 7.962 5.121 1.00 0.00 H ATOM 123 HB3 LYS A 8 6.884 6.644 3.992 1.00 0.00 H ATOM 124 HG2 LYS A 8 6.736 5.616 6.073 1.00 0.00 H ATOM 125 HG3 LYS A 8 8.463 5.675 5.740 1.00 0.00 H ATOM 126 HD2 LYS A 8 7.038 7.744 7.407 1.00 0.00 H ATOM 127 HD3 LYS A 8 7.744 6.284 8.095 1.00 0.00 H ATOM 128 HE2 LYS A 8 9.187 8.501 6.644 1.00 0.00 H ATOM 129 HE3 LYS A 8 9.286 8.111 8.356 1.00 0.00 H ATOM 130 HZ1 LYS A 8 10.114 6.043 6.482 1.00 0.00 H ATOM 131 N SER A 9 9.438 6.250 2.712 1.00 0.00 N ATOM 132 CA SER A 9 10.381 5.248 2.214 1.00 0.00 C ATOM 133 C SER A 9 11.770 5.840 1.943 1.00 0.00 C ATOM 134 O SER A 9 12.779 5.261 2.343 1.00 0.00 O ATOM 135 CB SER A 9 9.839 4.599 0.936 1.00 0.00 C ATOM 136 OG SER A 9 8.626 3.911 1.187 1.00 0.00 O ATOM 137 H SER A 9 8.628 6.441 2.192 1.00 0.00 H ATOM 138 HA SER A 9 10.476 4.486 2.972 1.00 0.00 H ATOM 139 HB2 SER A 9 9.657 5.364 0.196 1.00 0.00 H ATOM 140 HB3 SER A 9 10.566 3.895 0.556 1.00 0.00 H ATOM 141 HG SER A 9 7.883 4.468 0.942 1.00 0.00 H ATOM 142 N ILE A 10 11.819 6.977 1.245 1.00 0.00 N ATOM 143 CA ILE A 10 13.093 7.618 0.903 1.00 0.00 C ATOM 144 C ILE A 10 13.791 8.235 2.124 1.00 0.00 C ATOM 145 O ILE A 10 15.010 8.129 2.259 1.00 0.00 O ATOM 146 CB ILE A 10 12.915 8.693 -0.201 1.00 0.00 C ATOM 147 CG1 ILE A 10 14.277 9.225 -0.659 1.00 0.00 C ATOM 148 CG2 ILE A 10 12.029 9.836 0.275 1.00 0.00 C ATOM 149 CD1 ILE A 10 15.143 8.178 -1.327 1.00 0.00 C ATOM 150 H ILE A 10 10.981 7.385 0.937 1.00 0.00 H ATOM 151 HA ILE A 10 13.738 6.848 0.505 1.00 0.00 H ATOM 152 HB ILE A 10 12.425 8.226 -1.041 1.00 0.00 H ATOM 153 HG12 ILE A 10 14.124 10.027 -1.365 1.00 0.00 H ATOM 154 HG13 ILE A 10 14.815 9.604 0.198 1.00 0.00 H ATOM 155 HG21 ILE A 10 11.412 9.499 1.092 1.00 0.00 H ATOM 156 HG22 ILE A 10 11.399 10.165 -0.539 1.00 0.00 H ATOM 157 HG23 ILE A 10 12.647 10.658 0.604 1.00 0.00 H ATOM 158 HD11 ILE A 10 15.584 7.540 -0.574 1.00 0.00 H ATOM 159 HD12 ILE A 10 15.925 8.663 -1.890 1.00 0.00 H ATOM 160 HD13 ILE A 10 14.537 7.582 -1.993 1.00 0.00 H ATOM 161 N ARG A 11 13.023 8.884 3.003 1.00 0.00 N ATOM 162 CA ARG A 11 13.587 9.519 4.200 1.00 0.00 C ATOM 163 C ARG A 11 14.139 8.495 5.197 1.00 0.00 C ATOM 164 O ARG A 11 15.267 8.636 5.673 1.00 0.00 O ATOM 165 CB ARG A 11 12.531 10.389 4.895 1.00 0.00 C ATOM 166 CG ARG A 11 12.458 11.832 4.399 1.00 0.00 C ATOM 167 CD ARG A 11 12.413 11.928 2.881 1.00 0.00 C ATOM 168 NE ARG A 11 13.752 11.994 2.293 1.00 0.00 N ATOM 169 CZ ARG A 11 14.565 13.052 2.398 1.00 0.00 C ATOM 170 NH1 ARG A 11 14.170 14.149 3.045 1.00 0.00 N ATOM 171 NH2 ARG A 11 15.773 13.016 1.844 1.00 0.00 N ATOM 172 H ARG A 11 12.058 8.942 2.843 1.00 0.00 H ATOM 173 HA ARG A 11 14.399 10.155 3.880 1.00 0.00 H ATOM 174 HB2 ARG A 11 11.562 9.937 4.750 1.00 0.00 H ATOM 175 HB3 ARG A 11 12.747 10.411 5.954 1.00 0.00 H ATOM 176 HG2 ARG A 11 11.567 12.292 4.799 1.00 0.00 H ATOM 177 HG3 ARG A 11 13.327 12.366 4.756 1.00 0.00 H ATOM 178 HD2 ARG A 11 11.903 11.061 2.492 1.00 0.00 H ATOM 179 HD3 ARG A 11 11.866 12.818 2.606 1.00 0.00 H ATOM 180 HE ARG A 11 14.067 11.208 1.799 1.00 0.00 H ATOM 181 HH11 ARG A 11 13.260 14.191 3.458 1.00 0.00 H ATOM 182 HH12 ARG A 11 14.785 14.935 3.118 1.00 0.00 H ATOM 183 HH21 ARG A 11 16.074 12.200 1.349 1.00 0.00 H ATOM 184 HH22 ARG A 11 16.382 13.807 1.919 1.00 0.00 H ATOM 185 N ASP A 12 13.332 7.485 5.533 1.00 0.00 N ATOM 186 CA ASP A 12 13.744 6.464 6.504 1.00 0.00 C ATOM 187 C ASP A 12 14.575 5.346 5.855 1.00 0.00 C ATOM 188 O ASP A 12 14.524 4.197 6.299 1.00 0.00 O ATOM 189 CB ASP A 12 12.511 5.863 7.194 1.00 0.00 C ATOM 190 CG ASP A 12 11.500 6.916 7.619 1.00 0.00 C ATOM 191 OD1 ASP A 12 11.813 7.824 8.392 1.00 0.00 O ATOM 192 H ASP A 12 12.436 7.435 5.137 1.00 0.00 H ATOM 193 HA ASP A 12 14.353 6.952 7.251 1.00 0.00 H ATOM 194 HB2 ASP A 12 12.025 5.181 6.513 1.00 0.00 H ATOM 195 HB3 ASP A 12 12.829 5.321 8.072 1.00 0.00 H ATOM 196 N VAL A 13 15.350 5.687 4.820 1.00 0.00 N ATOM 197 CA VAL A 13 16.196 4.706 4.130 1.00 0.00 C ATOM 198 C VAL A 13 17.367 5.393 3.425 1.00 0.00 C ATOM 199 O VAL A 13 18.523 5.207 3.801 1.00 0.00 O ATOM 200 CB VAL A 13 15.400 3.875 3.091 1.00 0.00 C ATOM 201 CG1 VAL A 13 16.319 2.906 2.358 1.00 0.00 C ATOM 202 CG2 VAL A 13 14.253 3.122 3.753 1.00 0.00 C ATOM 203 H VAL A 13 15.361 6.619 4.518 1.00 0.00 H ATOM 204 HA VAL A 13 16.589 4.028 4.874 1.00 0.00 H ATOM 205 HB VAL A 13 14.982 4.555 2.363 1.00 0.00 H ATOM 206 HG11 VAL A 13 15.725 2.204 1.792 1.00 0.00 H ATOM 207 HG12 VAL A 13 16.923 2.370 3.075 1.00 0.00 H ATOM 208 HG13 VAL A 13 16.962 3.457 1.688 1.00 0.00 H ATOM 209 HG21 VAL A 13 13.503 3.826 4.083 1.00 0.00 H ATOM 210 HG22 VAL A 13 14.628 2.571 4.603 1.00 0.00 H ATOM 211 HG23 VAL A 13 13.815 2.437 3.044 1.00 0.00 H HETATM 212 N NH2 A 14 17.070 6.187 2.399 1.00 0.00 N HETATM 213 HN1 NH2 A 14 16.127 6.293 2.150 1.00 0.00 H HETATM 214 HN2 NH2 A 14 17.807 6.633 1.932 1.00 0.00 H TER 215 NH2 A 14 ENDMDL CONECT 1 2 3 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 8 22 CONECT 8 7 9 11 23 CONECT 9 8 10 33 CONECT 10 9 CONECT 11 8 12 24 25 CONECT 12 11 13 15 CONECT 13 12 14 26 CONECT 14 13 17 27 CONECT 15 12 16 18 CONECT 16 15 17 21 CONECT 17 14 16 28 CONECT 18 15 19 29 CONECT 19 18 20 30 CONECT 20 19 21 31 CONECT 21 16 20 32 CONECT 22 7 CONECT 23 8 CONECT 24 11 CONECT 25 11 CONECT 26 13 CONECT 27 14 CONECT 28 17 CONECT 29 18 CONECT 30 19 CONECT 31 20 CONECT 32 21 CONECT 33 9 CONECT 41 105 CONECT 105 41 CONECT 119 190 CONECT 190 119 CONECT 212 213 214 CONECT 213 212 CONECT 214 212 MASTER 92 0 3 1 0 0 0 6 111 1 40 2 END