HEADER TOXIN 29-DEC-09 SMS20114 TITLE ALPHA-CONOTOXIN FI COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-CONOTOXIN FI; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: CONUS EPISCOPATUS; SOURCE 4 ORGANISM_COMMON: BISHOP'S CONE; SOURCE 5 ORGANISM_TAXID: 88764; SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS KEYWDS ALPHA-CONOTOXIN, TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR J.YUN,S.LEE,S.RHO,H.JUNG,J.KIM JRNL AUTH S.LEE,J.YUN,S.RHO,H.JUNG,J.KIM JRNL TITL SOLUTION STRUCTURE OF ALPHA-CONOTOXIN FI JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER 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 02-NOV-10. REMARK 100 THE BMRB ID CODE IS SMS20114. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 5.8 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 4.5MM ALPHA-CONOTOXIN FI; 90% REMARK 210 H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D REMARK 210 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 3.851 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O CYS A 2 H ILE A 5 1.56 REMARK 500 O PRO A 6 H MET A 10 1.59 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 CYS A 2 -37.12 -155.73 REMARK 500 2 CYS A 2 -45.59 -136.11 REMARK 500 4 CYS A 2 -39.78 -134.63 REMARK 500 9 CYS A 2 -32.08 -150.27 REMARK 500 9 ASN A 12 69.46 -119.56 REMARK 500 12 CYS A 2 -36.92 -144.07 REMARK 500 15 CYS A 2 -37.59 -143.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20114 RELATED DB: BMRB DBREF A 1 16 BMRB SMS20114 SMS20114 1 16 SEQADV NH2 A 17 BMRB SMS20114 AMIDATION SEQRES 1 A 17 GLY CYS CYS GLU ILE PRO ALA CYS ILE MET ASN ASN PRO SEQRES 2 A 17 ASP TYR CYS NH2 HET NH2 A 17 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N HELIX 1 1 ILE A 5 MET A 10 1 6 SSBOND 1 CYS A 2 CYS A 8 1555 1555 2.02 SSBOND 2 CYS A 3 CYS A 16 1555 1555 2.02 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 ATOM 1 N GLY A 1 -3.853 3.532 -3.238 1.00 0.00 N ATOM 2 CA GLY A 1 -3.771 3.020 -1.841 1.00 0.00 C ATOM 3 C GLY A 1 -3.516 1.512 -1.862 1.00 0.00 C ATOM 4 O GLY A 1 -3.600 0.873 -2.892 1.00 0.00 O ATOM 5 H1 GLY A 1 -4.197 4.514 -3.229 1.00 0.00 H ATOM 6 H2 GLY A 1 -4.510 2.939 -3.786 1.00 0.00 H ATOM 7 H3 GLY A 1 -2.911 3.501 -3.675 1.00 0.00 H ATOM 8 HA2 GLY A 1 -2.963 3.517 -1.323 1.00 0.00 H ATOM 9 HA3 GLY A 1 -4.701 3.218 -1.330 1.00 0.00 H ATOM 10 N CYS A 2 -3.207 0.937 -0.732 1.00 0.00 N ATOM 11 CA CYS A 2 -2.949 -0.533 -0.686 1.00 0.00 C ATOM 12 C CYS A 2 -3.202 -1.073 0.723 1.00 0.00 C ATOM 13 O CYS A 2 -3.704 -2.166 0.899 1.00 0.00 O ATOM 14 CB CYS A 2 -1.476 -0.694 -1.064 1.00 0.00 C ATOM 15 SG CYS A 2 -1.327 -0.874 -2.859 1.00 0.00 S ATOM 16 H CYS A 2 -3.146 1.471 0.088 1.00 0.00 H ATOM 17 HA CYS A 2 -3.570 -1.045 -1.400 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.924 0.177 -0.741 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.076 -1.573 -0.580 1.00 0.00 H ATOM 20 N CYS A 3 -2.861 -0.315 1.728 1.00 0.00 N ATOM 21 CA CYS A 3 -3.084 -0.784 3.122 1.00 0.00 C ATOM 22 C CYS A 3 -4.540 -1.203 3.291 1.00 0.00 C ATOM 23 O CYS A 3 -4.860 -2.108 4.036 1.00 0.00 O ATOM 24 CB CYS A 3 -2.757 0.417 4.008 1.00 0.00 C ATOM 25 SG CYS A 3 -0.988 0.418 4.377 1.00 0.00 S ATOM 26 H CYS A 3 -2.463 0.558 1.567 1.00 0.00 H ATOM 27 HA CYS A 3 -2.426 -1.602 3.348 1.00 0.00 H ATOM 28 HB2 CYS A 3 -3.017 1.329 3.491 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.318 0.350 4.929 1.00 0.00 H ATOM 30 N GLU A 4 -5.422 -0.559 2.583 1.00 0.00 N ATOM 31 CA GLU A 4 -6.861 -0.924 2.674 1.00 0.00 C ATOM 32 C GLU A 4 -7.145 -2.080 1.715 1.00 0.00 C ATOM 33 O GLU A 4 -8.274 -2.483 1.517 1.00 0.00 O ATOM 34 CB GLU A 4 -7.618 0.332 2.243 1.00 0.00 C ATOM 35 CG GLU A 4 -7.255 1.492 3.172 1.00 0.00 C ATOM 36 CD GLU A 4 -8.156 2.690 2.872 1.00 0.00 C ATOM 37 OE1 GLU A 4 -9.293 2.678 3.316 1.00 0.00 O ATOM 38 OE2 GLU A 4 -7.695 3.601 2.204 1.00 0.00 O ATOM 39 H GLU A 4 -5.133 0.155 1.975 1.00 0.00 H ATOM 40 HA GLU A 4 -7.124 -1.192 3.686 1.00 0.00 H ATOM 41 HB2 GLU A 4 -7.345 0.584 1.229 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.681 0.149 2.297 1.00 0.00 H ATOM 43 HG2 GLU A 4 -7.392 1.186 4.199 1.00 0.00 H ATOM 44 HG3 GLU A 4 -6.224 1.771 3.015 1.00 0.00 H ATOM 45 N ILE A 5 -6.114 -2.612 1.115 1.00 0.00 N ATOM 46 CA ILE A 5 -6.294 -3.737 0.163 1.00 0.00 C ATOM 47 C ILE A 5 -5.220 -4.795 0.415 1.00 0.00 C ATOM 48 O ILE A 5 -4.043 -4.525 0.286 1.00 0.00 O ATOM 49 CB ILE A 5 -6.110 -3.109 -1.218 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.221 -2.086 -1.466 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.170 -4.197 -2.287 1.00 0.00 C ATOM 52 CD1 ILE A 5 -6.605 -0.769 -1.945 1.00 0.00 C ATOM 53 H ILE A 5 -5.214 -2.267 1.292 1.00 0.00 H ATOM 54 HA ILE A 5 -7.281 -4.161 0.251 1.00 0.00 H ATOM 55 HB ILE A 5 -5.148 -2.616 -1.262 1.00 0.00 H ATOM 56 HG12 ILE A 5 -7.897 -2.463 -2.221 1.00 0.00 H ATOM 57 HG13 ILE A 5 -7.765 -1.914 -0.549 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.436 -4.958 -2.065 1.00 0.00 H ATOM 59 HG22 ILE A 5 -5.960 -3.765 -3.253 1.00 0.00 H ATOM 60 HG23 ILE A 5 -7.154 -4.640 -2.295 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.927 0.034 -1.298 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.926 -0.568 -2.956 1.00 0.00 H ATOM 63 HD13 ILE A 5 -5.528 -0.845 -1.917 1.00 0.00 H ATOM 64 N PRO A 6 -5.662 -5.969 0.770 1.00 0.00 N ATOM 65 CA PRO A 6 -4.718 -7.075 1.045 1.00 0.00 C ATOM 66 C PRO A 6 -4.052 -7.530 -0.254 1.00 0.00 C ATOM 67 O PRO A 6 -2.880 -7.846 -0.287 1.00 0.00 O ATOM 68 CB PRO A 6 -5.609 -8.170 1.629 1.00 0.00 C ATOM 69 CG PRO A 6 -6.974 -7.874 1.099 1.00 0.00 C ATOM 70 CD PRO A 6 -7.059 -6.378 0.940 1.00 0.00 C ATOM 71 HA PRO A 6 -3.978 -6.771 1.767 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.275 -9.143 1.296 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.612 -8.120 2.707 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.111 -8.359 0.143 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.724 -8.209 1.798 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.643 -6.125 0.065 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.476 -5.923 1.825 1.00 0.00 H ATOM 78 N ALA A 7 -4.787 -7.550 -1.328 1.00 0.00 N ATOM 79 CA ALA A 7 -4.191 -7.967 -2.622 1.00 0.00 C ATOM 80 C ALA A 7 -2.892 -7.201 -2.843 1.00 0.00 C ATOM 81 O ALA A 7 -1.995 -7.650 -3.528 1.00 0.00 O ATOM 82 CB ALA A 7 -5.221 -7.588 -3.685 1.00 0.00 C ATOM 83 H ALA A 7 -5.722 -7.279 -1.286 1.00 0.00 H ATOM 84 HA ALA A 7 -4.018 -9.029 -2.632 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.627 -8.484 -4.128 1.00 0.00 H ATOM 86 HB2 ALA A 7 -4.745 -6.990 -4.448 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.016 -7.018 -3.226 1.00 0.00 H ATOM 88 N CYS A 8 -2.791 -6.041 -2.256 1.00 0.00 N ATOM 89 CA CYS A 8 -1.554 -5.228 -2.416 1.00 0.00 C ATOM 90 C CYS A 8 -0.739 -5.256 -1.124 1.00 0.00 C ATOM 91 O CYS A 8 0.473 -5.264 -1.143 1.00 0.00 O ATOM 92 CB CYS A 8 -2.044 -3.811 -2.717 1.00 0.00 C ATOM 93 SG CYS A 8 -0.630 -2.753 -3.114 1.00 0.00 S ATOM 94 H CYS A 8 -3.533 -5.705 -1.707 1.00 0.00 H ATOM 95 HA CYS A 8 -0.966 -5.599 -3.236 1.00 0.00 H ATOM 96 HB2 CYS A 8 -2.724 -3.835 -3.555 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.555 -3.417 -1.851 1.00 0.00 H ATOM 98 N ILE A 9 -1.392 -5.271 0.000 1.00 0.00 N ATOM 99 CA ILE A 9 -0.643 -5.300 1.275 1.00 0.00 C ATOM 100 C ILE A 9 -0.121 -6.718 1.538 1.00 0.00 C ATOM 101 O ILE A 9 0.970 -6.908 2.038 1.00 0.00 O ATOM 102 CB ILE A 9 -1.652 -4.833 2.341 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.014 -3.735 3.190 1.00 0.00 C ATOM 104 CG2 ILE A 9 -2.068 -5.987 3.260 1.00 0.00 C ATOM 105 CD1 ILE A 9 0.250 -4.281 3.855 1.00 0.00 C ATOM 106 H ILE A 9 -2.363 -5.263 0.004 1.00 0.00 H ATOM 107 HA ILE A 9 0.171 -4.612 1.221 1.00 0.00 H ATOM 108 HB ILE A 9 -2.525 -4.440 1.848 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.762 -2.895 2.560 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.711 -3.417 3.951 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.937 -5.696 3.830 1.00 0.00 H ATOM 112 HG22 ILE A 9 -1.255 -6.218 3.934 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.299 -6.856 2.664 1.00 0.00 H ATOM 114 HD11 ILE A 9 1.075 -4.223 3.161 1.00 0.00 H ATOM 115 HD12 ILE A 9 0.089 -5.311 4.137 1.00 0.00 H ATOM 116 HD13 ILE A 9 0.476 -3.698 4.734 1.00 0.00 H ATOM 117 N MET A 10 -0.895 -7.708 1.199 1.00 0.00 N ATOM 118 CA MET A 10 -0.458 -9.107 1.420 1.00 0.00 C ATOM 119 C MET A 10 0.482 -9.550 0.299 1.00 0.00 C ATOM 120 O MET A 10 1.312 -10.418 0.479 1.00 0.00 O ATOM 121 CB MET A 10 -1.742 -9.934 1.398 1.00 0.00 C ATOM 122 CG MET A 10 -1.945 -10.608 2.757 1.00 0.00 C ATOM 123 SD MET A 10 -2.270 -12.373 2.518 1.00 0.00 S ATOM 124 CE MET A 10 -2.483 -12.807 4.263 1.00 0.00 C ATOM 125 H MET A 10 -1.765 -7.532 0.802 1.00 0.00 H ATOM 126 HA MET A 10 0.017 -9.194 2.374 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.581 -9.288 1.186 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.667 -10.690 0.630 1.00 0.00 H ATOM 129 HG2 MET A 10 -1.055 -10.484 3.356 1.00 0.00 H ATOM 130 HG3 MET A 10 -2.784 -10.153 3.262 1.00 0.00 H ATOM 131 HE1 MET A 10 -3.123 -12.077 4.740 1.00 0.00 H ATOM 132 HE2 MET A 10 -1.518 -12.821 4.750 1.00 0.00 H ATOM 133 HE3 MET A 10 -2.936 -13.783 4.341 1.00 0.00 H ATOM 134 N ASN A 11 0.358 -8.961 -0.861 1.00 0.00 N ATOM 135 CA ASN A 11 1.245 -9.355 -1.990 1.00 0.00 C ATOM 136 C ASN A 11 2.243 -8.234 -2.292 1.00 0.00 C ATOM 137 O ASN A 11 3.285 -8.459 -2.872 1.00 0.00 O ATOM 138 CB ASN A 11 0.303 -9.577 -3.174 1.00 0.00 C ATOM 139 CG ASN A 11 -0.864 -10.467 -2.740 1.00 0.00 C ATOM 140 OD1 ASN A 11 -0.890 -11.642 -3.045 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.838 -9.954 -2.039 1.00 0.00 N ATOM 142 H ASN A 11 -0.318 -8.262 -0.988 1.00 0.00 H ATOM 143 HA ASN A 11 1.766 -10.269 -1.757 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.076 -8.626 -3.517 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.842 -10.061 -3.975 1.00 0.00 H ATOM 146 HD21 ASN A 11 -1.821 -9.005 -1.795 1.00 0.00 H ATOM 147 HD22 ASN A 11 -2.588 -10.518 -1.755 1.00 0.00 H ATOM 148 N ASN A 12 1.937 -7.027 -1.896 1.00 0.00 N ATOM 149 CA ASN A 12 2.884 -5.903 -2.160 1.00 0.00 C ATOM 150 C ASN A 12 3.101 -5.089 -0.883 1.00 0.00 C ATOM 151 O ASN A 12 2.517 -4.040 -0.703 1.00 0.00 O ATOM 152 CB ASN A 12 2.218 -5.053 -3.245 1.00 0.00 C ATOM 153 CG ASN A 12 1.691 -5.966 -4.352 1.00 0.00 C ATOM 154 OD1 ASN A 12 0.517 -5.948 -4.664 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.514 -6.768 -4.966 1.00 0.00 N ATOM 156 H ASN A 12 1.091 -6.861 -1.418 1.00 0.00 H ATOM 157 HA ASN A 12 3.825 -6.287 -2.521 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.401 -4.493 -2.818 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.943 -4.370 -3.661 1.00 0.00 H ATOM 160 HD21 ASN A 12 3.461 -6.783 -4.717 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.185 -7.359 -5.677 1.00 0.00 H ATOM 162 N PRO A 13 3.942 -5.613 -0.035 1.00 0.00 N ATOM 163 CA PRO A 13 4.251 -4.943 1.249 1.00 0.00 C ATOM 164 C PRO A 13 5.157 -3.730 1.017 1.00 0.00 C ATOM 165 O PRO A 13 5.299 -2.877 1.871 1.00 0.00 O ATOM 166 CB PRO A 13 4.980 -6.019 2.049 1.00 0.00 C ATOM 167 CG PRO A 13 5.560 -6.942 1.024 1.00 0.00 C ATOM 168 CD PRO A 13 4.676 -6.873 -0.195 1.00 0.00 C ATOM 169 HA PRO A 13 3.346 -4.654 1.757 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.765 -5.573 2.644 1.00 0.00 H ATOM 171 HB3 PRO A 13 4.287 -6.554 2.678 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.564 -6.630 0.772 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.574 -7.952 1.405 1.00 0.00 H ATOM 174 HD2 PRO A 13 5.277 -6.853 -1.094 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.990 -7.704 -0.214 1.00 0.00 H ATOM 176 N ASP A 14 5.770 -3.646 -0.131 1.00 0.00 N ATOM 177 CA ASP A 14 6.661 -2.491 -0.411 1.00 0.00 C ATOM 178 C ASP A 14 5.891 -1.182 -0.226 1.00 0.00 C ATOM 179 O ASP A 14 6.468 -0.125 -0.069 1.00 0.00 O ATOM 180 CB ASP A 14 7.091 -2.661 -1.867 1.00 0.00 C ATOM 181 CG ASP A 14 8.607 -2.493 -1.975 1.00 0.00 C ATOM 182 OD1 ASP A 14 9.313 -3.425 -1.625 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.036 -1.436 -2.406 1.00 0.00 O ATOM 184 H ASP A 14 5.647 -4.338 -0.805 1.00 0.00 H ATOM 185 HA ASP A 14 7.521 -2.521 0.232 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.811 -3.645 -2.213 1.00 0.00 H ATOM 187 HB3 ASP A 14 6.605 -1.913 -2.475 1.00 0.00 H ATOM 188 N TYR A 15 4.588 -1.251 -0.241 1.00 0.00 N ATOM 189 CA TYR A 15 3.775 -0.015 -0.064 1.00 0.00 C ATOM 190 C TYR A 15 3.295 0.096 1.385 1.00 0.00 C ATOM 191 O TYR A 15 3.285 1.161 1.968 1.00 0.00 O ATOM 192 CB TYR A 15 2.587 -0.181 -1.013 1.00 0.00 C ATOM 193 CG TYR A 15 1.848 1.130 -1.133 1.00 0.00 C ATOM 194 CD1 TYR A 15 1.221 1.686 -0.012 1.00 0.00 C ATOM 195 CD2 TYR A 15 1.789 1.787 -2.367 1.00 0.00 C ATOM 196 CE1 TYR A 15 0.535 2.901 -0.125 1.00 0.00 C ATOM 197 CE2 TYR A 15 1.103 3.003 -2.480 1.00 0.00 C ATOM 198 CZ TYR A 15 0.476 3.559 -1.359 1.00 0.00 C ATOM 199 OH TYR A 15 -0.201 4.757 -1.470 1.00 0.00 O ATOM 200 H TYR A 15 4.145 -2.117 -0.366 1.00 0.00 H ATOM 201 HA TYR A 15 4.346 0.854 -0.338 1.00 0.00 H ATOM 202 HB2 TYR A 15 2.946 -0.482 -1.988 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.918 -0.937 -0.628 1.00 0.00 H ATOM 204 HD1 TYR A 15 1.267 1.178 0.940 1.00 0.00 H ATOM 205 HD2 TYR A 15 2.272 1.359 -3.233 1.00 0.00 H ATOM 206 HE1 TYR A 15 0.052 3.330 0.740 1.00 0.00 H ATOM 207 HE2 TYR A 15 1.057 3.511 -3.432 1.00 0.00 H ATOM 208 HH TYR A 15 -0.684 4.901 -0.653 1.00 0.00 H ATOM 209 N CYS A 16 2.896 -1.000 1.966 1.00 0.00 N ATOM 210 CA CYS A 16 2.415 -0.965 3.377 1.00 0.00 C ATOM 211 C CYS A 16 3.339 -1.792 4.276 1.00 0.00 C ATOM 212 O CYS A 16 3.626 -1.410 5.394 1.00 0.00 O ATOM 213 CB CYS A 16 1.019 -1.582 3.323 1.00 0.00 C ATOM 214 SG CYS A 16 -0.152 -0.348 2.708 1.00 0.00 S ATOM 215 H CYS A 16 2.911 -1.847 1.474 1.00 0.00 H ATOM 216 HA CYS A 16 2.354 0.053 3.729 1.00 0.00 H ATOM 217 HB2 CYS A 16 1.027 -2.433 2.658 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.722 -1.900 4.312 1.00 0.00 H HETATM 219 N NH2 A 17 3.824 -2.917 3.831 1.00 0.00 N HETATM 220 HN1 NH2 A 17 3.595 -3.227 2.930 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.418 -3.454 4.398 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 2 ATOM 1 N GLY A 1 -5.956 2.376 -1.960 1.00 0.00 N ATOM 2 CA GLY A 1 -4.661 2.036 -2.615 1.00 0.00 C ATOM 3 C GLY A 1 -4.312 0.576 -2.327 1.00 0.00 C ATOM 4 O GLY A 1 -4.701 -0.319 -3.052 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.388 3.187 -2.445 1.00 0.00 H ATOM 6 H2 GLY A 1 -5.786 2.618 -0.962 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.597 1.560 -2.015 1.00 0.00 H ATOM 8 HA2 GLY A 1 -4.748 2.185 -3.682 1.00 0.00 H ATOM 9 HA3 GLY A 1 -3.882 2.672 -2.225 1.00 0.00 H ATOM 10 N CYS A 2 -3.582 0.324 -1.275 1.00 0.00 N ATOM 11 CA CYS A 2 -3.213 -1.081 -0.944 1.00 0.00 C ATOM 12 C CYS A 2 -3.387 -1.331 0.556 1.00 0.00 C ATOM 13 O CYS A 2 -3.944 -2.327 0.970 1.00 0.00 O ATOM 14 CB CYS A 2 -1.744 -1.213 -1.346 1.00 0.00 C ATOM 15 SG CYS A 2 -1.606 -1.130 -3.149 1.00 0.00 S ATOM 16 H CYS A 2 -3.279 1.059 -0.702 1.00 0.00 H ATOM 17 HA CYS A 2 -3.813 -1.770 -1.511 1.00 0.00 H ATOM 18 HB2 CYS A 2 -1.175 -0.409 -0.903 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.359 -2.161 -0.999 1.00 0.00 H ATOM 20 N CYS A 3 -2.920 -0.427 1.369 1.00 0.00 N ATOM 21 CA CYS A 3 -3.061 -0.602 2.837 1.00 0.00 C ATOM 22 C CYS A 3 -4.519 -0.893 3.176 1.00 0.00 C ATOM 23 O CYS A 3 -4.826 -1.595 4.119 1.00 0.00 O ATOM 24 CB CYS A 3 -2.619 0.730 3.444 1.00 0.00 C ATOM 25 SG CYS A 3 -0.906 0.597 4.010 1.00 0.00 S ATOM 26 H CYS A 3 -2.483 0.363 1.015 1.00 0.00 H ATOM 27 HA CYS A 3 -2.428 -1.398 3.180 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.692 1.507 2.697 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.257 0.974 4.280 1.00 0.00 H ATOM 30 N GLU A 4 -5.420 -0.367 2.397 1.00 0.00 N ATOM 31 CA GLU A 4 -6.864 -0.622 2.652 1.00 0.00 C ATOM 32 C GLU A 4 -7.277 -1.920 1.958 1.00 0.00 C ATOM 33 O GLU A 4 -8.437 -2.280 1.925 1.00 0.00 O ATOM 34 CB GLU A 4 -7.598 0.572 2.040 1.00 0.00 C ATOM 35 CG GLU A 4 -8.967 0.726 2.707 1.00 0.00 C ATOM 36 CD GLU A 4 -9.912 1.476 1.765 1.00 0.00 C ATOM 37 OE1 GLU A 4 -9.933 2.694 1.827 1.00 0.00 O ATOM 38 OE2 GLU A 4 -10.598 0.819 1.000 1.00 0.00 O ATOM 39 H GLU A 4 -5.144 0.183 1.633 1.00 0.00 H ATOM 40 HA GLU A 4 -7.060 -0.678 3.712 1.00 0.00 H ATOM 41 HB2 GLU A 4 -7.016 1.469 2.195 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.733 0.407 0.981 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.372 -0.251 2.923 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.858 1.283 3.625 1.00 0.00 H ATOM 45 N ILE A 5 -6.326 -2.624 1.402 1.00 0.00 N ATOM 46 CA ILE A 5 -6.643 -3.899 0.704 1.00 0.00 C ATOM 47 C ILE A 5 -5.513 -4.899 0.950 1.00 0.00 C ATOM 48 O ILE A 5 -4.361 -4.605 0.701 1.00 0.00 O ATOM 49 CB ILE A 5 -6.720 -3.525 -0.777 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.955 -2.659 -1.025 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.816 -4.790 -1.627 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.514 -1.252 -1.417 1.00 0.00 C ATOM 53 H ILE A 5 -5.395 -2.313 1.447 1.00 0.00 H ATOM 54 HA ILE A 5 -7.587 -4.295 1.040 1.00 0.00 H ATOM 55 HB ILE A 5 -5.832 -2.975 -1.055 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.542 -3.089 -1.824 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.550 -2.611 -0.127 1.00 0.00 H ATOM 58 HG21 ILE A 5 -7.392 -4.580 -2.516 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.300 -5.568 -1.058 1.00 0.00 H ATOM 60 HG23 ILE A 5 -5.825 -5.109 -1.907 1.00 0.00 H ATOM 61 HD11 ILE A 5 -8.334 -0.740 -1.897 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.679 -1.316 -2.099 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.217 -0.709 -0.532 1.00 0.00 H ATOM 64 N PRO A 6 -5.876 -6.048 1.445 1.00 0.00 N ATOM 65 CA PRO A 6 -4.869 -7.093 1.741 1.00 0.00 C ATOM 66 C PRO A 6 -4.286 -7.665 0.448 1.00 0.00 C ATOM 67 O PRO A 6 -3.153 -8.097 0.408 1.00 0.00 O ATOM 68 CB PRO A 6 -5.664 -8.151 2.501 1.00 0.00 C ATOM 69 CG PRO A 6 -7.080 -7.952 2.067 1.00 0.00 C ATOM 70 CD PRO A 6 -7.239 -6.483 1.770 1.00 0.00 C ATOM 71 HA PRO A 6 -4.087 -6.697 2.366 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.321 -9.142 2.234 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.579 -7.994 3.564 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.280 -8.536 1.179 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.755 -8.237 2.859 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.900 -6.337 0.926 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.600 -5.956 2.638 1.00 0.00 H ATOM 78 N ALA A 7 -5.047 -7.669 -0.610 1.00 0.00 N ATOM 79 CA ALA A 7 -4.529 -8.210 -1.891 1.00 0.00 C ATOM 80 C ALA A 7 -3.266 -7.462 -2.291 1.00 0.00 C ATOM 81 O ALA A 7 -2.292 -8.044 -2.714 1.00 0.00 O ATOM 82 CB ALA A 7 -5.630 -7.957 -2.911 1.00 0.00 C ATOM 83 H ALA A 7 -5.951 -7.313 -0.563 1.00 0.00 H ATOM 84 HA ALA A 7 -4.339 -9.261 -1.803 1.00 0.00 H ATOM 85 HB1 ALA A 7 -6.318 -8.787 -2.911 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.190 -7.851 -3.893 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.155 -7.050 -2.654 1.00 0.00 H ATOM 88 N CYS A 8 -3.282 -6.171 -2.153 1.00 0.00 N ATOM 89 CA CYS A 8 -2.080 -5.376 -2.519 1.00 0.00 C ATOM 90 C CYS A 8 -1.117 -5.336 -1.339 1.00 0.00 C ATOM 91 O CYS A 8 0.081 -5.391 -1.499 1.00 0.00 O ATOM 92 CB CYS A 8 -2.600 -3.974 -2.842 1.00 0.00 C ATOM 93 SG CYS A 8 -1.314 -3.047 -3.716 1.00 0.00 S ATOM 94 H CYS A 8 -4.083 -5.729 -1.802 1.00 0.00 H ATOM 95 HA CYS A 8 -1.597 -5.801 -3.381 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.477 -4.050 -3.467 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.854 -3.463 -1.925 1.00 0.00 H ATOM 98 N ILE A 9 -1.630 -5.245 -0.149 1.00 0.00 N ATOM 99 CA ILE A 9 -0.738 -5.206 1.029 1.00 0.00 C ATOM 100 C ILE A 9 -0.050 -6.565 1.204 1.00 0.00 C ATOM 101 O ILE A 9 1.106 -6.646 1.569 1.00 0.00 O ATOM 102 CB ILE A 9 -1.658 -4.848 2.212 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.981 -3.780 3.077 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.957 -6.083 3.072 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.740 -3.631 4.398 1.00 0.00 C ATOM 106 H ILE A 9 -2.595 -5.200 -0.033 1.00 0.00 H ATOM 107 HA ILE A 9 -0.005 -4.441 0.890 1.00 0.00 H ATOM 108 HB ILE A 9 -2.588 -4.454 1.827 1.00 0.00 H ATOM 109 HG12 ILE A 9 0.039 -4.075 3.278 1.00 0.00 H ATOM 110 HG13 ILE A 9 -0.986 -2.836 2.552 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.219 -6.912 2.431 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.780 -5.868 3.737 1.00 0.00 H ATOM 113 HG23 ILE A 9 -1.082 -6.338 3.651 1.00 0.00 H ATOM 114 HD11 ILE A 9 -1.661 -4.547 4.964 1.00 0.00 H ATOM 115 HD12 ILE A 9 -2.781 -3.423 4.194 1.00 0.00 H ATOM 116 HD13 ILE A 9 -1.315 -2.817 4.967 1.00 0.00 H ATOM 117 N MET A 10 -0.754 -7.630 0.938 1.00 0.00 N ATOM 118 CA MET A 10 -0.149 -8.976 1.078 1.00 0.00 C ATOM 119 C MET A 10 0.826 -9.237 -0.069 1.00 0.00 C ATOM 120 O MET A 10 1.914 -9.741 0.128 1.00 0.00 O ATOM 121 CB MET A 10 -1.321 -9.954 1.017 1.00 0.00 C ATOM 122 CG MET A 10 -2.188 -9.791 2.268 1.00 0.00 C ATOM 123 SD MET A 10 -1.734 -11.054 3.483 1.00 0.00 S ATOM 124 CE MET A 10 -0.549 -10.055 4.417 1.00 0.00 C ATOM 125 H MET A 10 -1.676 -7.542 0.645 1.00 0.00 H ATOM 126 HA MET A 10 0.347 -9.057 2.022 1.00 0.00 H ATOM 127 HB2 MET A 10 -1.912 -9.751 0.136 1.00 0.00 H ATOM 128 HB3 MET A 10 -0.944 -10.963 0.972 1.00 0.00 H ATOM 129 HG2 MET A 10 -2.029 -8.810 2.691 1.00 0.00 H ATOM 130 HG3 MET A 10 -3.229 -9.905 2.001 1.00 0.00 H ATOM 131 HE1 MET A 10 -0.653 -10.266 5.472 1.00 0.00 H ATOM 132 HE2 MET A 10 -0.740 -9.006 4.234 1.00 0.00 H ATOM 133 HE3 MET A 10 0.453 -10.294 4.100 1.00 0.00 H ATOM 134 N ASN A 11 0.447 -8.894 -1.268 1.00 0.00 N ATOM 135 CA ASN A 11 1.356 -9.121 -2.427 1.00 0.00 C ATOM 136 C ASN A 11 2.330 -7.952 -2.564 1.00 0.00 C ATOM 137 O ASN A 11 3.449 -8.115 -3.009 1.00 0.00 O ATOM 138 CB ASN A 11 0.445 -9.205 -3.651 1.00 0.00 C ATOM 139 CG ASN A 11 0.456 -10.632 -4.202 1.00 0.00 C ATOM 140 OD1 ASN A 11 1.046 -11.518 -3.615 1.00 0.00 O ATOM 141 ND2 ASN A 11 -0.177 -10.893 -5.313 1.00 0.00 N ATOM 142 H ASN A 11 -0.433 -8.485 -1.405 1.00 0.00 H ATOM 143 HA ASN A 11 1.895 -10.046 -2.305 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.560 -8.937 -3.370 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.800 -8.525 -4.412 1.00 0.00 H ATOM 146 HD21 ASN A 11 -0.654 -10.179 -5.785 1.00 0.00 H ATOM 147 HD22 ASN A 11 -0.175 -11.804 -5.675 1.00 0.00 H ATOM 148 N ASN A 12 1.920 -6.773 -2.180 1.00 0.00 N ATOM 149 CA ASN A 12 2.843 -5.606 -2.291 1.00 0.00 C ATOM 150 C ASN A 12 3.017 -4.940 -0.924 1.00 0.00 C ATOM 151 O ASN A 12 2.623 -3.809 -0.726 1.00 0.00 O ATOM 152 CB ASN A 12 2.177 -4.651 -3.286 1.00 0.00 C ATOM 153 CG ASN A 12 2.138 -5.304 -4.670 1.00 0.00 C ATOM 154 OD1 ASN A 12 2.942 -6.164 -4.971 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.231 -4.930 -5.531 1.00 0.00 N ATOM 156 H ASN A 12 1.009 -6.657 -1.814 1.00 0.00 H ATOM 157 HA ASN A 12 3.799 -5.923 -2.674 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.171 -4.431 -2.963 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.746 -3.734 -3.340 1.00 0.00 H ATOM 160 HD21 ASN A 12 0.583 -4.237 -5.289 1.00 0.00 H ATOM 161 HD22 ASN A 12 1.198 -5.344 -6.418 1.00 0.00 H ATOM 162 N PRO A 13 3.614 -5.677 -0.026 1.00 0.00 N ATOM 163 CA PRO A 13 3.859 -5.167 1.345 1.00 0.00 C ATOM 164 C PRO A 13 4.970 -4.115 1.328 1.00 0.00 C ATOM 165 O PRO A 13 5.101 -3.322 2.239 1.00 0.00 O ATOM 166 CB PRO A 13 4.297 -6.410 2.116 1.00 0.00 C ATOM 167 CG PRO A 13 4.846 -7.337 1.078 1.00 0.00 C ATOM 168 CD PRO A 13 4.112 -7.046 -0.205 1.00 0.00 C ATOM 169 HA PRO A 13 2.954 -4.766 1.771 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.062 -6.153 2.836 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.452 -6.866 2.608 1.00 0.00 H ATOM 172 HG2 PRO A 13 5.905 -7.160 0.951 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.674 -8.362 1.371 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.789 -7.100 -1.047 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.287 -7.728 -0.335 1.00 0.00 H ATOM 176 N ASP A 14 5.768 -4.095 0.294 1.00 0.00 N ATOM 177 CA ASP A 14 6.860 -3.092 0.218 1.00 0.00 C ATOM 178 C ASP A 14 6.290 -1.701 0.482 1.00 0.00 C ATOM 179 O ASP A 14 6.986 -0.796 0.899 1.00 0.00 O ATOM 180 CB ASP A 14 7.397 -3.194 -1.210 1.00 0.00 C ATOM 181 CG ASP A 14 8.289 -4.431 -1.331 1.00 0.00 C ATOM 182 OD1 ASP A 14 7.784 -5.523 -1.134 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.463 -4.265 -1.620 1.00 0.00 O ATOM 184 H ASP A 14 5.644 -4.734 -0.430 1.00 0.00 H ATOM 185 HA ASP A 14 7.635 -3.328 0.925 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.570 -3.274 -1.901 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.976 -2.312 -1.441 1.00 0.00 H ATOM 188 N TYR A 15 5.020 -1.532 0.245 1.00 0.00 N ATOM 189 CA TYR A 15 4.383 -0.206 0.486 1.00 0.00 C ATOM 190 C TYR A 15 3.766 -0.172 1.884 1.00 0.00 C ATOM 191 O TYR A 15 3.958 0.760 2.639 1.00 0.00 O ATOM 192 CB TYR A 15 3.299 -0.085 -0.586 1.00 0.00 C ATOM 193 CG TYR A 15 3.292 1.321 -1.138 1.00 0.00 C ATOM 194 CD1 TYR A 15 3.226 2.414 -0.266 1.00 0.00 C ATOM 195 CD2 TYR A 15 3.353 1.532 -2.521 1.00 0.00 C ATOM 196 CE1 TYR A 15 3.222 3.718 -0.776 1.00 0.00 C ATOM 197 CE2 TYR A 15 3.349 2.836 -3.031 1.00 0.00 C ATOM 198 CZ TYR A 15 3.284 3.929 -2.159 1.00 0.00 C ATOM 199 OH TYR A 15 3.283 5.215 -2.661 1.00 0.00 O ATOM 200 H TYR A 15 4.482 -2.283 -0.086 1.00 0.00 H ATOM 201 HA TYR A 15 5.104 0.584 0.373 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.502 -0.784 -1.384 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.335 -0.303 -0.151 1.00 0.00 H ATOM 204 HD1 TYR A 15 3.179 2.251 0.800 1.00 0.00 H ATOM 205 HD2 TYR A 15 3.403 0.689 -3.194 1.00 0.00 H ATOM 206 HE1 TYR A 15 3.172 4.561 -0.103 1.00 0.00 H ATOM 207 HE2 TYR A 15 3.396 2.998 -4.098 1.00 0.00 H ATOM 208 HH TYR A 15 2.514 5.312 -3.228 1.00 0.00 H ATOM 209 N CYS A 16 3.028 -1.186 2.232 1.00 0.00 N ATOM 210 CA CYS A 16 2.397 -1.224 3.581 1.00 0.00 C ATOM 211 C CYS A 16 3.133 -2.223 4.479 1.00 0.00 C ATOM 212 O CYS A 16 3.018 -3.420 4.304 1.00 0.00 O ATOM 213 CB CYS A 16 0.961 -1.683 3.329 1.00 0.00 C ATOM 214 SG CYS A 16 0.040 -0.361 2.504 1.00 0.00 S ATOM 215 H CYS A 16 2.889 -1.925 1.606 1.00 0.00 H ATOM 216 HA CYS A 16 2.398 -0.242 4.027 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.971 -2.560 2.699 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.487 -1.919 4.270 1.00 0.00 H HETATM 219 N NH2 A 17 3.892 -1.778 5.443 1.00 0.00 N HETATM 220 HN1 NH2 A 17 3.987 -0.813 5.587 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.369 -2.408 6.022 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 3 ATOM 1 N GLY A 1 -5.462 3.715 0.446 1.00 0.00 N ATOM 2 CA GLY A 1 -4.313 3.186 -0.341 1.00 0.00 C ATOM 3 C GLY A 1 -4.337 1.657 -0.317 1.00 0.00 C ATOM 4 O GLY A 1 -5.343 1.047 -0.010 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.000 4.390 -0.134 1.00 0.00 H ATOM 6 H2 GLY A 1 -5.106 4.196 1.298 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.084 2.929 0.724 1.00 0.00 H ATOM 8 HA2 GLY A 1 -4.388 3.533 -1.363 1.00 0.00 H ATOM 9 HA3 GLY A 1 -3.388 3.535 0.092 1.00 0.00 H ATOM 10 N CYS A 2 -3.238 1.033 -0.640 1.00 0.00 N ATOM 11 CA CYS A 2 -3.197 -0.458 -0.635 1.00 0.00 C ATOM 12 C CYS A 2 -3.397 -0.989 0.787 1.00 0.00 C ATOM 13 O CYS A 2 -3.833 -2.105 0.988 1.00 0.00 O ATOM 14 CB CYS A 2 -1.802 -0.815 -1.150 1.00 0.00 C ATOM 15 SG CYS A 2 -1.819 -0.859 -2.959 1.00 0.00 S ATOM 16 H CYS A 2 -2.439 1.544 -0.884 1.00 0.00 H ATOM 17 HA CYS A 2 -3.948 -0.858 -1.297 1.00 0.00 H ATOM 18 HB2 CYS A 2 -1.094 -0.071 -0.815 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.514 -1.783 -0.768 1.00 0.00 H ATOM 20 N CYS A 3 -3.080 -0.198 1.776 1.00 0.00 N ATOM 21 CA CYS A 3 -3.249 -0.653 3.180 1.00 0.00 C ATOM 22 C CYS A 3 -4.690 -1.098 3.415 1.00 0.00 C ATOM 23 O CYS A 3 -4.967 -1.926 4.260 1.00 0.00 O ATOM 24 CB CYS A 3 -2.913 0.568 4.038 1.00 0.00 C ATOM 25 SG CYS A 3 -1.164 0.519 4.499 1.00 0.00 S ATOM 26 H CYS A 3 -2.731 0.692 1.595 1.00 0.00 H ATOM 27 HA CYS A 3 -2.567 -1.454 3.394 1.00 0.00 H ATOM 28 HB2 CYS A 3 -3.112 1.468 3.476 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.521 0.559 4.931 1.00 0.00 H ATOM 30 N GLU A 4 -5.610 -0.565 2.661 1.00 0.00 N ATOM 31 CA GLU A 4 -7.033 -0.969 2.828 1.00 0.00 C ATOM 32 C GLU A 4 -7.316 -2.194 1.959 1.00 0.00 C ATOM 33 O GLU A 4 -8.439 -2.643 1.841 1.00 0.00 O ATOM 34 CB GLU A 4 -7.850 0.232 2.354 1.00 0.00 C ATOM 35 CG GLU A 4 -8.882 0.600 3.422 1.00 0.00 C ATOM 36 CD GLU A 4 -10.212 0.942 2.750 1.00 0.00 C ATOM 37 OE1 GLU A 4 -10.193 1.265 1.574 1.00 0.00 O ATOM 38 OE2 GLU A 4 -11.228 0.877 3.423 1.00 0.00 O ATOM 39 H GLU A 4 -5.361 0.092 1.976 1.00 0.00 H ATOM 40 HA GLU A 4 -7.249 -1.179 3.864 1.00 0.00 H ATOM 41 HB2 GLU A 4 -7.191 1.071 2.184 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.359 -0.018 1.436 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.020 -0.238 4.091 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.532 1.454 3.982 1.00 0.00 H ATOM 45 N ILE A 5 -6.296 -2.736 1.351 1.00 0.00 N ATOM 46 CA ILE A 5 -6.482 -3.934 0.487 1.00 0.00 C ATOM 47 C ILE A 5 -5.322 -4.905 0.705 1.00 0.00 C ATOM 48 O ILE A 5 -4.175 -4.549 0.523 1.00 0.00 O ATOM 49 CB ILE A 5 -6.464 -3.390 -0.941 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.651 -2.448 -1.146 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.561 -4.551 -1.931 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.139 -1.067 -1.558 1.00 0.00 C ATOM 53 H ILE A 5 -5.399 -2.357 1.467 1.00 0.00 H ATOM 54 HA ILE A 5 -7.427 -4.411 0.693 1.00 0.00 H ATOM 55 HB ILE A 5 -5.541 -2.852 -1.109 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.294 -2.840 -1.921 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.208 -2.362 -0.225 1.00 0.00 H ATOM 58 HG21 ILE A 5 -7.400 -5.177 -1.669 1.00 0.00 H ATOM 59 HG22 ILE A 5 -5.651 -5.132 -1.892 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.698 -4.161 -2.928 1.00 0.00 H ATOM 61 HD11 ILE A 5 -7.230 -0.385 -0.726 1.00 0.00 H ATOM 62 HD12 ILE A 5 -7.721 -0.701 -2.391 1.00 0.00 H ATOM 63 HD13 ILE A 5 -6.101 -1.141 -1.851 1.00 0.00 H ATOM 64 N PRO A 6 -5.656 -6.104 1.097 1.00 0.00 N ATOM 65 CA PRO A 6 -4.617 -7.129 1.349 1.00 0.00 C ATOM 66 C PRO A 6 -3.999 -7.596 0.030 1.00 0.00 C ATOM 67 O PRO A 6 -2.817 -7.865 -0.052 1.00 0.00 O ATOM 68 CB PRO A 6 -5.384 -8.259 2.030 1.00 0.00 C ATOM 69 CG PRO A 6 -6.801 -8.089 1.582 1.00 0.00 C ATOM 70 CD PRO A 6 -7.009 -6.616 1.336 1.00 0.00 C ATOM 71 HA PRO A 6 -3.859 -6.743 2.007 1.00 0.00 H ATOM 72 HB2 PRO A 6 -4.999 -9.218 1.714 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.323 -8.162 3.103 1.00 0.00 H ATOM 74 HG2 PRO A 6 -6.966 -8.645 0.669 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.476 -8.428 2.351 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.636 -6.462 0.469 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.437 -6.142 2.206 1.00 0.00 H ATOM 78 N ALA A 7 -4.785 -7.683 -1.004 1.00 0.00 N ATOM 79 CA ALA A 7 -4.236 -8.121 -2.313 1.00 0.00 C ATOM 80 C ALA A 7 -3.020 -7.270 -2.660 1.00 0.00 C ATOM 81 O ALA A 7 -2.129 -7.691 -3.370 1.00 0.00 O ATOM 82 CB ALA A 7 -5.359 -7.881 -3.319 1.00 0.00 C ATOM 83 H ALA A 7 -5.729 -7.456 -0.922 1.00 0.00 H ATOM 84 HA ALA A 7 -3.979 -9.164 -2.284 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.899 -6.986 -3.047 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.031 -8.725 -3.315 1.00 0.00 H ATOM 87 HB3 ALA A 7 -4.936 -7.761 -4.306 1.00 0.00 H ATOM 88 N CYS A 8 -2.978 -6.070 -2.153 1.00 0.00 N ATOM 89 CA CYS A 8 -1.821 -5.180 -2.437 1.00 0.00 C ATOM 90 C CYS A 8 -0.908 -5.121 -1.215 1.00 0.00 C ATOM 91 O CYS A 8 0.299 -5.101 -1.329 1.00 0.00 O ATOM 92 CB CYS A 8 -2.432 -3.810 -2.731 1.00 0.00 C ATOM 93 SG CYS A 8 -1.164 -2.715 -3.415 1.00 0.00 S ATOM 94 H CYS A 8 -3.709 -5.756 -1.580 1.00 0.00 H ATOM 95 HA CYS A 8 -1.276 -5.538 -3.294 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.235 -3.920 -3.444 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.819 -3.386 -1.816 1.00 0.00 H ATOM 98 N ILE A 9 -1.475 -5.101 -0.043 1.00 0.00 N ATOM 99 CA ILE A 9 -0.638 -5.057 1.176 1.00 0.00 C ATOM 100 C ILE A 9 -0.008 -6.435 1.404 1.00 0.00 C ATOM 101 O ILE A 9 1.152 -6.555 1.746 1.00 0.00 O ATOM 102 CB ILE A 9 -1.599 -4.647 2.308 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.983 -3.490 3.093 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.860 -5.811 3.272 1.00 0.00 C ATOM 105 CD1 ILE A 9 0.329 -3.951 3.733 1.00 0.00 C ATOM 106 H ILE A 9 -2.443 -5.123 0.032 1.00 0.00 H ATOM 107 HA ILE A 9 0.122 -4.317 1.057 1.00 0.00 H ATOM 108 HB ILE A 9 -2.533 -4.326 1.877 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.791 -2.665 2.424 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.666 -3.174 3.867 1.00 0.00 H ATOM 111 HG21 ILE A 9 -0.961 -6.023 3.831 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.149 -6.686 2.711 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.653 -5.542 3.953 1.00 0.00 H ATOM 114 HD11 ILE A 9 1.153 -3.713 3.078 1.00 0.00 H ATOM 115 HD12 ILE A 9 0.293 -5.019 3.894 1.00 0.00 H ATOM 116 HD13 ILE A 9 0.465 -3.449 4.680 1.00 0.00 H ATOM 117 N MET A 10 -0.773 -7.471 1.207 1.00 0.00 N ATOM 118 CA MET A 10 -0.242 -8.841 1.395 1.00 0.00 C ATOM 119 C MET A 10 0.641 -9.224 0.208 1.00 0.00 C ATOM 120 O MET A 10 1.621 -9.927 0.349 1.00 0.00 O ATOM 121 CB MET A 10 -1.477 -9.738 1.457 1.00 0.00 C ATOM 122 CG MET A 10 -1.252 -10.847 2.485 1.00 0.00 C ATOM 123 SD MET A 10 -2.098 -10.421 4.028 1.00 0.00 S ATOM 124 CE MET A 10 -3.579 -11.427 3.759 1.00 0.00 C ATOM 125 H MET A 10 -1.695 -7.347 0.931 1.00 0.00 H ATOM 126 HA MET A 10 0.304 -8.902 2.313 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.336 -9.148 1.743 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.650 -10.178 0.486 1.00 0.00 H ATOM 129 HG2 MET A 10 -1.645 -11.777 2.103 1.00 0.00 H ATOM 130 HG3 MET A 10 -0.194 -10.954 2.673 1.00 0.00 H ATOM 131 HE1 MET A 10 -4.048 -11.135 2.830 1.00 0.00 H ATOM 132 HE2 MET A 10 -4.267 -11.277 4.579 1.00 0.00 H ATOM 133 HE3 MET A 10 -3.303 -12.468 3.710 1.00 0.00 H ATOM 134 N ASN A 11 0.300 -8.759 -0.963 1.00 0.00 N ATOM 135 CA ASN A 11 1.119 -9.089 -2.161 1.00 0.00 C ATOM 136 C ASN A 11 2.173 -8.003 -2.379 1.00 0.00 C ATOM 137 O ASN A 11 3.231 -8.249 -2.923 1.00 0.00 O ATOM 138 CB ASN A 11 0.127 -9.121 -3.322 1.00 0.00 C ATOM 139 CG ASN A 11 0.510 -10.239 -4.292 1.00 0.00 C ATOM 140 OD1 ASN A 11 1.672 -10.425 -4.596 1.00 0.00 O ATOM 141 ND2 ASN A 11 -0.425 -10.997 -4.793 1.00 0.00 N ATOM 142 H ASN A 11 -0.493 -8.189 -1.054 1.00 0.00 H ATOM 143 HA ASN A 11 1.588 -10.053 -2.046 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.867 -9.302 -2.939 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.146 -8.175 -3.840 1.00 0.00 H ATOM 146 HD21 ASN A 11 -1.362 -10.847 -4.546 1.00 0.00 H ATOM 147 HD22 ASN A 11 -0.192 -11.717 -5.415 1.00 0.00 H ATOM 148 N ASN A 12 1.892 -6.803 -1.950 1.00 0.00 N ATOM 149 CA ASN A 12 2.881 -5.700 -2.125 1.00 0.00 C ATOM 150 C ASN A 12 3.065 -4.948 -0.805 1.00 0.00 C ATOM 151 O ASN A 12 2.619 -3.827 -0.661 1.00 0.00 O ATOM 152 CB ASN A 12 2.282 -4.779 -3.192 1.00 0.00 C ATOM 153 CG ASN A 12 1.675 -5.620 -4.318 1.00 0.00 C ATOM 154 OD1 ASN A 12 0.566 -5.373 -4.747 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.362 -6.611 -4.818 1.00 0.00 N ATOM 156 H ASN A 12 1.029 -6.627 -1.507 1.00 0.00 H ATOM 157 HA ASN A 12 3.826 -6.093 -2.468 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.513 -4.165 -2.747 1.00 0.00 H ATOM 159 HB3 ASN A 12 3.057 -4.147 -3.597 1.00 0.00 H ATOM 160 HD21 ASN A 12 3.257 -6.812 -4.471 1.00 0.00 H ATOM 161 HD22 ASN A 12 1.982 -7.156 -5.538 1.00 0.00 H ATOM 162 N PRO A 13 3.717 -5.600 0.118 1.00 0.00 N ATOM 163 CA PRO A 13 3.966 -4.996 1.450 1.00 0.00 C ATOM 164 C PRO A 13 5.025 -3.894 1.346 1.00 0.00 C ATOM 165 O PRO A 13 5.162 -3.068 2.227 1.00 0.00 O ATOM 166 CB PRO A 13 4.477 -6.168 2.285 1.00 0.00 C ATOM 167 CG PRO A 13 5.049 -7.131 1.292 1.00 0.00 C ATOM 168 CD PRO A 13 4.279 -6.950 0.009 1.00 0.00 C ATOM 169 HA PRO A 13 3.052 -4.611 1.872 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.243 -5.832 2.971 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.664 -6.631 2.821 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.096 -6.914 1.132 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.930 -8.141 1.648 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.944 -7.020 -0.843 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.488 -7.679 -0.065 1.00 0.00 H ATOM 176 N ASP A 14 5.772 -3.877 0.278 1.00 0.00 N ATOM 177 CA ASP A 14 6.817 -2.832 0.118 1.00 0.00 C ATOM 178 C ASP A 14 6.191 -1.443 0.238 1.00 0.00 C ATOM 179 O ASP A 14 6.854 -0.475 0.551 1.00 0.00 O ATOM 180 CB ASP A 14 7.382 -3.049 -1.286 1.00 0.00 C ATOM 181 CG ASP A 14 8.732 -3.763 -1.190 1.00 0.00 C ATOM 182 OD1 ASP A 14 8.730 -4.979 -1.084 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.744 -3.083 -1.223 1.00 0.00 O ATOM 184 H ASP A 14 5.648 -4.548 -0.417 1.00 0.00 H ATOM 185 HA ASP A 14 7.591 -2.966 0.851 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.695 -3.652 -1.861 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.517 -2.094 -1.771 1.00 0.00 H ATOM 188 N TYR A 15 4.914 -1.340 -0.011 1.00 0.00 N ATOM 189 CA TYR A 15 4.238 -0.014 0.085 1.00 0.00 C ATOM 190 C TYR A 15 3.655 0.183 1.486 1.00 0.00 C ATOM 191 O TYR A 15 3.842 1.209 2.109 1.00 0.00 O ATOM 192 CB TYR A 15 3.123 -0.061 -0.959 1.00 0.00 C ATOM 193 CG TYR A 15 2.907 1.321 -1.528 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.234 2.291 -0.776 1.00 0.00 C ATOM 195 CD2 TYR A 15 3.382 1.633 -2.808 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.034 3.572 -1.302 1.00 0.00 C ATOM 197 CE2 TYR A 15 3.182 2.916 -3.335 1.00 0.00 C ATOM 198 CZ TYR A 15 2.509 3.884 -2.582 1.00 0.00 C ATOM 199 OH TYR A 15 2.312 5.148 -3.100 1.00 0.00 O ATOM 200 H TYR A 15 4.400 -2.137 -0.262 1.00 0.00 H ATOM 201 HA TYR A 15 4.928 0.776 -0.148 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.401 -0.738 -1.752 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.209 -0.404 -0.496 1.00 0.00 H ATOM 204 HD1 TYR A 15 1.868 2.050 0.212 1.00 0.00 H ATOM 205 HD2 TYR A 15 3.901 0.886 -3.389 1.00 0.00 H ATOM 206 HE1 TYR A 15 1.514 4.320 -0.721 1.00 0.00 H ATOM 207 HE2 TYR A 15 3.548 3.157 -4.322 1.00 0.00 H ATOM 208 HH TYR A 15 2.809 5.213 -3.918 1.00 0.00 H ATOM 209 N CYS A 16 2.949 -0.791 1.982 1.00 0.00 N ATOM 210 CA CYS A 16 2.349 -0.663 3.341 1.00 0.00 C ATOM 211 C CYS A 16 3.157 -1.478 4.355 1.00 0.00 C ATOM 212 O CYS A 16 4.244 -1.936 4.063 1.00 0.00 O ATOM 213 CB CYS A 16 0.936 -1.228 3.203 1.00 0.00 C ATOM 214 SG CYS A 16 -0.207 0.106 2.768 1.00 0.00 S ATOM 215 H CYS A 16 2.812 -1.606 1.458 1.00 0.00 H ATOM 216 HA CYS A 16 2.306 0.372 3.638 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.924 -1.980 2.428 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.632 -1.671 4.140 1.00 0.00 H HETATM 219 N NH2 A 17 2.666 -1.678 5.547 1.00 0.00 N HETATM 220 HN1 NH2 A 17 1.789 -1.310 5.785 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.174 -2.198 6.205 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 4 ATOM 1 N GLY A 1 -2.622 3.468 -2.521 1.00 0.00 N ATOM 2 CA GLY A 1 -3.895 2.840 -2.068 1.00 0.00 C ATOM 3 C GLY A 1 -3.713 1.324 -1.976 1.00 0.00 C ATOM 4 O GLY A 1 -4.173 0.582 -2.820 1.00 0.00 O ATOM 5 H1 GLY A 1 -1.842 2.790 -2.412 1.00 0.00 H ATOM 6 H2 GLY A 1 -2.429 4.315 -1.947 1.00 0.00 H ATOM 7 H3 GLY A 1 -2.705 3.739 -3.522 1.00 0.00 H ATOM 8 HA2 GLY A 1 -4.163 3.233 -1.097 1.00 0.00 H ATOM 9 HA3 GLY A 1 -4.679 3.064 -2.776 1.00 0.00 H ATOM 10 N CYS A 2 -3.045 0.858 -0.956 1.00 0.00 N ATOM 11 CA CYS A 2 -2.835 -0.612 -0.812 1.00 0.00 C ATOM 12 C CYS A 2 -3.114 -1.048 0.628 1.00 0.00 C ATOM 13 O CYS A 2 -3.697 -2.086 0.870 1.00 0.00 O ATOM 14 CB CYS A 2 -1.366 -0.839 -1.169 1.00 0.00 C ATOM 15 SG CYS A 2 -1.200 -0.987 -2.964 1.00 0.00 S ATOM 16 H CYS A 2 -2.682 1.474 -0.285 1.00 0.00 H ATOM 17 HA CYS A 2 -3.467 -1.150 -1.496 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.777 -0.003 -0.820 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.017 -1.746 -0.698 1.00 0.00 H ATOM 20 N CYS A 3 -2.707 -0.261 1.582 1.00 0.00 N ATOM 21 CA CYS A 3 -2.950 -0.624 3.002 1.00 0.00 C ATOM 22 C CYS A 3 -4.431 -0.930 3.203 1.00 0.00 C ATOM 23 O CYS A 3 -4.805 -1.760 4.009 1.00 0.00 O ATOM 24 CB CYS A 3 -2.542 0.611 3.807 1.00 0.00 C ATOM 25 SG CYS A 3 -0.770 0.549 4.163 1.00 0.00 S ATOM 26 H CYS A 3 -2.246 0.565 1.366 1.00 0.00 H ATOM 27 HA CYS A 3 -2.345 -1.466 3.280 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.764 1.501 3.237 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.096 0.633 4.735 1.00 0.00 H ATOM 30 N GLU A 4 -5.274 -0.272 2.461 1.00 0.00 N ATOM 31 CA GLU A 4 -6.736 -0.526 2.588 1.00 0.00 C ATOM 32 C GLU A 4 -7.118 -1.725 1.717 1.00 0.00 C ATOM 33 O GLU A 4 -8.278 -2.033 1.533 1.00 0.00 O ATOM 34 CB GLU A 4 -7.410 0.749 2.079 1.00 0.00 C ATOM 35 CG GLU A 4 -8.873 0.769 2.529 1.00 0.00 C ATOM 36 CD GLU A 4 -8.976 1.441 3.900 1.00 0.00 C ATOM 37 OE1 GLU A 4 -8.484 2.550 4.033 1.00 0.00 O ATOM 38 OE2 GLU A 4 -9.546 0.835 4.792 1.00 0.00 O ATOM 39 H GLU A 4 -4.942 0.381 1.809 1.00 0.00 H ATOM 40 HA GLU A 4 -7.004 -0.704 3.618 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.897 1.611 2.479 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.367 0.773 1.000 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.462 1.320 1.811 1.00 0.00 H ATOM 44 HG3 GLU A 4 -9.242 -0.243 2.597 1.00 0.00 H ATOM 45 N ILE A 5 -6.137 -2.398 1.181 1.00 0.00 N ATOM 46 CA ILE A 5 -6.414 -3.579 0.320 1.00 0.00 C ATOM 47 C ILE A 5 -5.376 -4.667 0.604 1.00 0.00 C ATOM 48 O ILE A 5 -4.192 -4.448 0.441 1.00 0.00 O ATOM 49 CB ILE A 5 -6.272 -3.057 -1.110 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.432 -2.108 -1.426 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.296 -4.229 -2.090 1.00 0.00 C ATOM 52 CD1 ILE A 5 -6.879 -0.738 -1.823 1.00 0.00 C ATOM 53 H ILE A 5 -5.210 -2.128 1.347 1.00 0.00 H ATOM 54 HA ILE A 5 -7.413 -3.948 0.486 1.00 0.00 H ATOM 55 HB ILE A 5 -5.336 -2.527 -1.208 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.016 -2.511 -2.241 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.059 -2.001 -0.554 1.00 0.00 H ATOM 58 HG21 ILE A 5 -6.666 -5.110 -1.587 1.00 0.00 H ATOM 59 HG22 ILE A 5 -5.295 -4.414 -2.451 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.941 -3.989 -2.922 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.837 -0.100 -0.953 1.00 0.00 H ATOM 62 HD12 ILE A 5 -7.523 -0.291 -2.567 1.00 0.00 H ATOM 63 HD13 ILE A 5 -5.885 -0.855 -2.231 1.00 0.00 H ATOM 64 N PRO A 6 -5.852 -5.803 1.032 1.00 0.00 N ATOM 65 CA PRO A 6 -4.944 -6.929 1.355 1.00 0.00 C ATOM 66 C PRO A 6 -4.315 -7.492 0.079 1.00 0.00 C ATOM 67 O PRO A 6 -3.212 -8.000 0.091 1.00 0.00 O ATOM 68 CB PRO A 6 -5.863 -7.953 2.015 1.00 0.00 C ATOM 69 CG PRO A 6 -7.227 -7.635 1.492 1.00 0.00 C ATOM 70 CD PRO A 6 -7.260 -6.148 1.250 1.00 0.00 C ATOM 71 HA PRO A 6 -4.182 -6.614 2.048 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.573 -8.956 1.731 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.844 -7.842 3.088 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.403 -8.168 0.568 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.976 -7.900 2.222 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.851 -5.920 0.373 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.642 -5.629 2.115 1.00 0.00 H ATOM 78 N ALA A 7 -5.006 -7.400 -1.021 1.00 0.00 N ATOM 79 CA ALA A 7 -4.448 -7.922 -2.294 1.00 0.00 C ATOM 80 C ALA A 7 -3.108 -7.254 -2.584 1.00 0.00 C ATOM 81 O ALA A 7 -2.200 -7.859 -3.120 1.00 0.00 O ATOM 82 CB ALA A 7 -5.473 -7.543 -3.361 1.00 0.00 C ATOM 83 H ALA A 7 -5.888 -6.987 -1.011 1.00 0.00 H ATOM 84 HA ALA A 7 -4.342 -8.988 -2.245 1.00 0.00 H ATOM 85 HB1 ALA A 7 -6.335 -7.097 -2.888 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.775 -8.428 -3.901 1.00 0.00 H ATOM 87 HB3 ALA A 7 -5.032 -6.834 -4.047 1.00 0.00 H ATOM 88 N CYS A 8 -2.979 -6.006 -2.232 1.00 0.00 N ATOM 89 CA CYS A 8 -1.698 -5.290 -2.484 1.00 0.00 C ATOM 90 C CYS A 8 -0.850 -5.269 -1.213 1.00 0.00 C ATOM 91 O CYS A 8 0.362 -5.267 -1.264 1.00 0.00 O ATOM 92 CB CYS A 8 -2.104 -3.873 -2.888 1.00 0.00 C ATOM 93 SG CYS A 8 -0.621 -2.901 -3.251 1.00 0.00 S ATOM 94 H CYS A 8 -3.726 -5.542 -1.801 1.00 0.00 H ATOM 95 HA CYS A 8 -1.156 -5.763 -3.285 1.00 0.00 H ATOM 96 HB2 CYS A 8 -2.732 -3.914 -3.765 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.648 -3.410 -2.077 1.00 0.00 H ATOM 98 N ILE A 9 -1.473 -5.252 -0.070 1.00 0.00 N ATOM 99 CA ILE A 9 -0.692 -5.234 1.186 1.00 0.00 C ATOM 100 C ILE A 9 -0.096 -6.623 1.443 1.00 0.00 C ATOM 101 O ILE A 9 1.047 -6.761 1.831 1.00 0.00 O ATOM 102 CB ILE A 9 -1.697 -4.809 2.274 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.065 -3.721 3.146 1.00 0.00 C ATOM 104 CG2 ILE A 9 -2.096 -5.997 3.159 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.931 -3.484 4.385 1.00 0.00 C ATOM 106 H ILE A 9 -2.445 -5.248 -0.039 1.00 0.00 H ATOM 107 HA ILE A 9 0.087 -4.509 1.107 1.00 0.00 H ATOM 108 HB ILE A 9 -2.581 -4.413 1.798 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.077 -4.034 3.451 1.00 0.00 H ATOM 110 HG13 ILE A 9 -0.992 -2.803 2.580 1.00 0.00 H ATOM 111 HG21 ILE A 9 -1.249 -6.299 3.758 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.408 -6.822 2.537 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.910 -5.708 3.807 1.00 0.00 H ATOM 114 HD11 ILE A 9 -1.570 -2.616 4.916 1.00 0.00 H ATOM 115 HD12 ILE A 9 -1.878 -4.349 5.031 1.00 0.00 H ATOM 116 HD13 ILE A 9 -2.954 -3.322 4.084 1.00 0.00 H ATOM 117 N MET A 10 -0.869 -7.649 1.221 1.00 0.00 N ATOM 118 CA MET A 10 -0.368 -9.026 1.439 1.00 0.00 C ATOM 119 C MET A 10 0.519 -9.454 0.272 1.00 0.00 C ATOM 120 O MET A 10 1.483 -10.175 0.439 1.00 0.00 O ATOM 121 CB MET A 10 -1.622 -9.896 1.504 1.00 0.00 C ATOM 122 CG MET A 10 -1.251 -11.292 2.008 1.00 0.00 C ATOM 123 SD MET A 10 -0.846 -11.211 3.770 1.00 0.00 S ATOM 124 CE MET A 10 0.923 -11.563 3.613 1.00 0.00 C ATOM 125 H MET A 10 -1.779 -7.512 0.911 1.00 0.00 H ATOM 126 HA MET A 10 0.166 -9.081 2.365 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.337 -9.447 2.177 1.00 0.00 H ATOM 128 HB3 MET A 10 -2.055 -9.975 0.519 1.00 0.00 H ATOM 129 HG2 MET A 10 -2.086 -11.961 1.859 1.00 0.00 H ATOM 130 HG3 MET A 10 -0.395 -11.657 1.458 1.00 0.00 H ATOM 131 HE1 MET A 10 1.288 -11.987 4.538 1.00 0.00 H ATOM 132 HE2 MET A 10 1.452 -10.645 3.397 1.00 0.00 H ATOM 133 HE3 MET A 10 1.081 -12.265 2.811 1.00 0.00 H ATOM 134 N ASN A 11 0.201 -9.013 -0.914 1.00 0.00 N ATOM 135 CA ASN A 11 1.023 -9.392 -2.096 1.00 0.00 C ATOM 136 C ASN A 11 2.034 -8.287 -2.404 1.00 0.00 C ATOM 137 O ASN A 11 3.036 -8.512 -3.053 1.00 0.00 O ATOM 138 CB ASN A 11 0.027 -9.545 -3.246 1.00 0.00 C ATOM 139 CG ASN A 11 -1.198 -10.323 -2.762 1.00 0.00 C ATOM 140 OD1 ASN A 11 -2.267 -10.212 -3.330 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.089 -11.113 -1.728 1.00 0.00 N ATOM 142 H ASN A 11 -0.580 -8.431 -1.027 1.00 0.00 H ATOM 143 HA ASN A 11 1.530 -10.328 -1.918 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.278 -8.568 -3.590 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.495 -10.083 -4.058 1.00 0.00 H ATOM 146 HD21 ASN A 11 -0.228 -11.203 -1.270 1.00 0.00 H ATOM 147 HD22 ASN A 11 -1.868 -11.614 -1.410 1.00 0.00 H ATOM 148 N ASN A 12 1.784 -7.093 -1.940 1.00 0.00 N ATOM 149 CA ASN A 12 2.741 -5.981 -2.207 1.00 0.00 C ATOM 150 C ASN A 12 2.977 -5.175 -0.928 1.00 0.00 C ATOM 151 O ASN A 12 2.488 -4.071 -0.788 1.00 0.00 O ATOM 152 CB ASN A 12 2.068 -5.116 -3.275 1.00 0.00 C ATOM 153 CG ASN A 12 2.595 -5.505 -4.657 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.649 -5.059 -5.066 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.902 -6.323 -5.401 1.00 0.00 N ATOM 156 H ASN A 12 0.968 -6.928 -1.411 1.00 0.00 H ATOM 157 HA ASN A 12 3.674 -6.370 -2.583 1.00 0.00 H ATOM 158 HB2 ASN A 12 0.999 -5.269 -3.242 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.290 -4.076 -3.086 1.00 0.00 H ATOM 160 HD21 ASN A 12 1.051 -6.683 -5.071 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.230 -6.578 -6.287 1.00 0.00 H ATOM 162 N PRO A 13 3.724 -5.762 -0.032 1.00 0.00 N ATOM 163 CA PRO A 13 4.034 -5.097 1.257 1.00 0.00 C ATOM 164 C PRO A 13 5.034 -3.958 1.044 1.00 0.00 C ATOM 165 O PRO A 13 5.281 -3.163 1.929 1.00 0.00 O ATOM 166 CB PRO A 13 4.648 -6.213 2.098 1.00 0.00 C ATOM 167 CG PRO A 13 5.196 -7.189 1.106 1.00 0.00 C ATOM 168 CD PRO A 13 4.346 -7.087 -0.134 1.00 0.00 C ATOM 169 HA PRO A 13 3.133 -4.735 1.724 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.441 -5.820 2.720 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.892 -6.688 2.703 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.223 -6.939 0.874 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.141 -8.190 1.504 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.961 -7.153 -1.021 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.587 -7.853 -0.139 1.00 0.00 H ATOM 176 N ASP A 14 5.608 -3.869 -0.125 1.00 0.00 N ATOM 177 CA ASP A 14 6.584 -2.780 -0.391 1.00 0.00 C ATOM 178 C ASP A 14 5.950 -1.429 -0.065 1.00 0.00 C ATOM 179 O ASP A 14 6.628 -0.463 0.225 1.00 0.00 O ATOM 180 CB ASP A 14 6.897 -2.884 -1.885 1.00 0.00 C ATOM 181 CG ASP A 14 7.496 -4.258 -2.186 1.00 0.00 C ATOM 182 OD1 ASP A 14 7.808 -4.966 -1.243 1.00 0.00 O ATOM 183 OD2 ASP A 14 7.634 -4.579 -3.355 1.00 0.00 O ATOM 184 H ASP A 14 5.397 -4.513 -0.825 1.00 0.00 H ATOM 185 HA ASP A 14 7.478 -2.932 0.185 1.00 0.00 H ATOM 186 HB2 ASP A 14 5.987 -2.755 -2.453 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.605 -2.116 -2.159 1.00 0.00 H ATOM 188 N TYR A 15 4.648 -1.360 -0.108 1.00 0.00 N ATOM 189 CA TYR A 15 3.955 -0.077 0.202 1.00 0.00 C ATOM 190 C TYR A 15 3.488 -0.075 1.658 1.00 0.00 C ATOM 191 O TYR A 15 3.605 0.910 2.361 1.00 0.00 O ATOM 192 CB TYR A 15 2.756 -0.037 -0.747 1.00 0.00 C ATOM 193 CG TYR A 15 2.458 1.393 -1.131 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.801 2.439 -0.265 1.00 0.00 C ATOM 195 CD2 TYR A 15 1.834 1.671 -2.353 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.520 3.763 -0.623 1.00 0.00 C ATOM 197 CE2 TYR A 15 1.553 2.995 -2.710 1.00 0.00 C ATOM 198 CZ TYR A 15 1.896 4.040 -1.845 1.00 0.00 C ATOM 199 OH TYR A 15 1.619 5.345 -2.197 1.00 0.00 O ATOM 200 H TYR A 15 4.124 -2.157 -0.342 1.00 0.00 H ATOM 201 HA TYR A 15 4.605 0.760 0.013 1.00 0.00 H ATOM 202 HB2 TYR A 15 2.981 -0.608 -1.635 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.894 -0.463 -0.254 1.00 0.00 H ATOM 204 HD1 TYR A 15 3.283 2.225 0.677 1.00 0.00 H ATOM 205 HD2 TYR A 15 1.570 0.864 -3.021 1.00 0.00 H ATOM 206 HE1 TYR A 15 2.784 4.569 0.044 1.00 0.00 H ATOM 207 HE2 TYR A 15 1.073 3.209 -3.653 1.00 0.00 H ATOM 208 HH TYR A 15 1.766 5.435 -3.141 1.00 0.00 H ATOM 209 N CYS A 16 2.959 -1.175 2.111 1.00 0.00 N ATOM 210 CA CYS A 16 2.478 -1.254 3.521 1.00 0.00 C ATOM 211 C CYS A 16 3.339 -2.243 4.314 1.00 0.00 C ATOM 212 O CYS A 16 4.515 -2.395 4.049 1.00 0.00 O ATOM 213 CB CYS A 16 1.036 -1.753 3.414 1.00 0.00 C ATOM 214 SG CYS A 16 0.017 -0.488 2.618 1.00 0.00 S ATOM 215 H CYS A 16 2.878 -1.952 1.522 1.00 0.00 H ATOM 216 HA CYS A 16 2.498 -0.280 3.982 1.00 0.00 H ATOM 217 HB2 CYS A 16 1.011 -2.658 2.825 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.649 -1.955 4.402 1.00 0.00 H HETATM 219 N NH2 A 17 2.800 -2.931 5.284 1.00 0.00 N HETATM 220 HN1 NH2 A 17 1.854 -2.813 5.502 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.345 -3.566 5.794 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 5 ATOM 1 N GLY A 1 -2.959 4.066 -1.369 1.00 0.00 N ATOM 2 CA GLY A 1 -2.554 3.258 -0.184 1.00 0.00 C ATOM 3 C GLY A 1 -3.080 1.832 -0.336 1.00 0.00 C ATOM 4 O GLY A 1 -4.253 1.612 -0.561 1.00 0.00 O ATOM 5 H1 GLY A 1 -2.741 5.067 -1.197 1.00 0.00 H ATOM 6 H2 GLY A 1 -3.981 3.955 -1.530 1.00 0.00 H ATOM 7 H3 GLY A 1 -2.439 3.738 -2.207 1.00 0.00 H ATOM 8 HA2 GLY A 1 -1.476 3.240 -0.112 1.00 0.00 H ATOM 9 HA3 GLY A 1 -2.968 3.697 0.711 1.00 0.00 H ATOM 10 N CYS A 2 -2.219 0.859 -0.216 1.00 0.00 N ATOM 11 CA CYS A 2 -2.668 -0.554 -0.355 1.00 0.00 C ATOM 12 C CYS A 2 -3.083 -1.114 1.008 1.00 0.00 C ATOM 13 O CYS A 2 -3.638 -2.191 1.103 1.00 0.00 O ATOM 14 CB CYS A 2 -1.449 -1.304 -0.895 1.00 0.00 C ATOM 15 SG CYS A 2 -1.319 -1.034 -2.680 1.00 0.00 S ATOM 16 H CYS A 2 -1.277 1.059 -0.035 1.00 0.00 H ATOM 17 HA CYS A 2 -3.483 -0.624 -1.057 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.557 -0.938 -0.409 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.559 -2.360 -0.696 1.00 0.00 H ATOM 20 N CYS A 3 -2.818 -0.394 2.065 1.00 0.00 N ATOM 21 CA CYS A 3 -3.197 -0.888 3.414 1.00 0.00 C ATOM 22 C CYS A 3 -4.689 -1.207 3.448 1.00 0.00 C ATOM 23 O CYS A 3 -5.137 -2.072 4.175 1.00 0.00 O ATOM 24 CB CYS A 3 -2.865 0.256 4.372 1.00 0.00 C ATOM 25 SG CYS A 3 -1.117 0.164 4.831 1.00 0.00 S ATOM 26 H CYS A 3 -2.371 0.467 1.971 1.00 0.00 H ATOM 27 HA CYS A 3 -2.618 -1.758 3.662 1.00 0.00 H ATOM 28 HB2 CYS A 3 -3.062 1.201 3.887 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.476 0.172 5.259 1.00 0.00 H ATOM 30 N GLU A 4 -5.458 -0.528 2.647 1.00 0.00 N ATOM 31 CA GLU A 4 -6.918 -0.805 2.610 1.00 0.00 C ATOM 32 C GLU A 4 -7.179 -1.975 1.663 1.00 0.00 C ATOM 33 O GLU A 4 -8.308 -2.322 1.377 1.00 0.00 O ATOM 34 CB GLU A 4 -7.554 0.476 2.071 1.00 0.00 C ATOM 35 CG GLU A 4 -8.590 0.992 3.070 1.00 0.00 C ATOM 36 CD GLU A 4 -9.480 2.034 2.389 1.00 0.00 C ATOM 37 OE1 GLU A 4 -9.226 2.337 1.234 1.00 0.00 O ATOM 38 OE2 GLU A 4 -10.399 2.512 3.033 1.00 0.00 O ATOM 39 H GLU A 4 -5.071 0.151 2.054 1.00 0.00 H ATOM 40 HA GLU A 4 -7.291 -1.020 3.597 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.788 1.224 1.926 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.038 0.267 1.128 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.199 0.168 3.415 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.086 1.444 3.910 1.00 0.00 H ATOM 45 N ILE A 5 -6.130 -2.585 1.172 1.00 0.00 N ATOM 46 CA ILE A 5 -6.290 -3.729 0.239 1.00 0.00 C ATOM 47 C ILE A 5 -5.240 -4.795 0.554 1.00 0.00 C ATOM 48 O ILE A 5 -4.055 -4.550 0.431 1.00 0.00 O ATOM 49 CB ILE A 5 -6.044 -3.134 -1.147 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.083 -2.050 -1.438 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.154 -4.234 -2.201 1.00 0.00 C ATOM 52 CD1 ILE A 5 -6.374 -0.714 -1.664 1.00 0.00 C ATOM 53 H ILE A 5 -5.228 -2.287 1.420 1.00 0.00 H ATOM 54 HA ILE A 5 -7.286 -4.138 0.300 1.00 0.00 H ATOM 55 HB ILE A 5 -5.054 -2.704 -1.181 1.00 0.00 H ATOM 56 HG12 ILE A 5 -7.643 -2.314 -2.324 1.00 0.00 H ATOM 57 HG13 ILE A 5 -7.757 -1.960 -0.601 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.557 -5.082 -1.898 1.00 0.00 H ATOM 59 HG22 ILE A 5 -5.795 -3.859 -3.148 1.00 0.00 H ATOM 60 HG23 ILE A 5 -7.185 -4.536 -2.299 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.916 0.071 -1.159 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.334 -0.502 -2.722 1.00 0.00 H ATOM 63 HD13 ILE A 5 -5.370 -0.769 -1.269 1.00 0.00 H ATOM 64 N PRO A 6 -5.706 -5.943 0.954 1.00 0.00 N ATOM 65 CA PRO A 6 -4.787 -7.056 1.293 1.00 0.00 C ATOM 66 C PRO A 6 -4.108 -7.584 0.031 1.00 0.00 C ATOM 67 O PRO A 6 -2.932 -7.884 0.024 1.00 0.00 O ATOM 68 CB PRO A 6 -5.708 -8.106 1.909 1.00 0.00 C ATOM 69 CG PRO A 6 -7.059 -7.806 1.344 1.00 0.00 C ATOM 70 CD PRO A 6 -7.114 -6.318 1.122 1.00 0.00 C ATOM 71 HA PRO A 6 -4.052 -6.734 2.013 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.389 -9.099 1.624 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.727 -8.008 2.983 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.192 -8.329 0.406 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.827 -8.098 2.043 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.682 -6.087 0.230 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.531 -5.818 1.983 1.00 0.00 H ATOM 78 N ALA A 7 -4.839 -7.687 -1.042 1.00 0.00 N ATOM 79 CA ALA A 7 -4.231 -8.182 -2.302 1.00 0.00 C ATOM 80 C ALA A 7 -2.971 -7.377 -2.600 1.00 0.00 C ATOM 81 O ALA A 7 -2.035 -7.862 -3.203 1.00 0.00 O ATOM 82 CB ALA A 7 -5.287 -7.940 -3.377 1.00 0.00 C ATOM 83 H ALA A 7 -5.778 -7.432 -1.020 1.00 0.00 H ATOM 84 HA ALA A 7 -4.009 -9.230 -2.226 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.056 -8.536 -4.248 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.291 -6.895 -3.648 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.258 -8.218 -2.998 1.00 0.00 H ATOM 88 N CYS A 8 -2.944 -6.147 -2.173 1.00 0.00 N ATOM 89 CA CYS A 8 -1.745 -5.300 -2.420 1.00 0.00 C ATOM 90 C CYS A 8 -0.847 -5.300 -1.185 1.00 0.00 C ATOM 91 O CYS A 8 0.361 -5.318 -1.285 1.00 0.00 O ATOM 92 CB CYS A 8 -2.292 -3.899 -2.696 1.00 0.00 C ATOM 93 SG CYS A 8 -0.991 -2.878 -3.435 1.00 0.00 S ATOM 94 H CYS A 8 -3.713 -5.781 -1.685 1.00 0.00 H ATOM 95 HA CYS A 8 -1.203 -5.660 -3.276 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.126 -3.967 -3.377 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.618 -3.450 -1.770 1.00 0.00 H ATOM 98 N ILE A 9 -1.421 -5.284 -0.018 1.00 0.00 N ATOM 99 CA ILE A 9 -0.585 -5.290 1.204 1.00 0.00 C ATOM 100 C ILE A 9 0.026 -6.682 1.405 1.00 0.00 C ATOM 101 O ILE A 9 1.155 -6.824 1.832 1.00 0.00 O ATOM 102 CB ILE A 9 -1.534 -4.892 2.353 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.853 -3.819 3.210 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.874 -6.104 3.233 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.598 -3.658 4.538 1.00 0.00 C ATOM 106 H ILE A 9 -2.390 -5.267 0.055 1.00 0.00 H ATOM 107 HA ILE A 9 0.190 -4.562 1.104 1.00 0.00 H ATOM 108 HB ILE A 9 -2.447 -4.489 1.935 1.00 0.00 H ATOM 109 HG12 ILE A 9 0.168 -4.114 3.406 1.00 0.00 H ATOM 110 HG13 ILE A 9 -0.859 -2.879 2.680 1.00 0.00 H ATOM 111 HG21 ILE A 9 -0.991 -6.412 3.774 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.217 -6.916 2.610 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.650 -5.833 3.934 1.00 0.00 H ATOM 114 HD11 ILE A 9 -2.663 -3.697 4.361 1.00 0.00 H ATOM 115 HD12 ILE A 9 -1.342 -2.706 4.982 1.00 0.00 H ATOM 116 HD13 ILE A 9 -1.316 -4.455 5.210 1.00 0.00 H ATOM 117 N MET A 10 -0.719 -7.707 1.099 1.00 0.00 N ATOM 118 CA MET A 10 -0.200 -9.085 1.264 1.00 0.00 C ATOM 119 C MET A 10 0.745 -9.440 0.114 1.00 0.00 C ATOM 120 O MET A 10 1.697 -10.176 0.283 1.00 0.00 O ATOM 121 CB MET A 10 -1.437 -9.980 1.235 1.00 0.00 C ATOM 122 CG MET A 10 -1.323 -11.042 2.330 1.00 0.00 C ATOM 123 SD MET A 10 -2.320 -10.545 3.757 1.00 0.00 S ATOM 124 CE MET A 10 -1.970 -11.989 4.789 1.00 0.00 C ATOM 125 H MET A 10 -1.619 -7.569 0.762 1.00 0.00 H ATOM 126 HA MET A 10 0.298 -9.178 2.207 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.319 -9.379 1.404 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.508 -10.463 0.273 1.00 0.00 H ATOM 129 HG2 MET A 10 -1.681 -11.988 1.953 1.00 0.00 H ATOM 130 HG3 MET A 10 -0.291 -11.141 2.630 1.00 0.00 H ATOM 131 HE1 MET A 10 -2.743 -12.731 4.643 1.00 0.00 H ATOM 132 HE2 MET A 10 -1.942 -11.690 5.828 1.00 0.00 H ATOM 133 HE3 MET A 10 -1.016 -12.408 4.512 1.00 0.00 H ATOM 134 N ASN A 11 0.489 -8.921 -1.055 1.00 0.00 N ATOM 135 CA ASN A 11 1.372 -9.231 -2.215 1.00 0.00 C ATOM 136 C ASN A 11 2.361 -8.086 -2.442 1.00 0.00 C ATOM 137 O ASN A 11 3.436 -8.280 -2.975 1.00 0.00 O ATOM 138 CB ASN A 11 0.431 -9.371 -3.410 1.00 0.00 C ATOM 139 CG ASN A 11 -0.622 -10.438 -3.106 1.00 0.00 C ATOM 140 OD1 ASN A 11 -0.769 -10.858 -1.975 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.362 -10.901 -4.075 1.00 0.00 N ATOM 142 H ASN A 11 -0.284 -8.330 -1.171 1.00 0.00 H ATOM 143 HA ASN A 11 1.900 -10.156 -2.051 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.056 -8.425 -3.597 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.996 -9.664 -4.282 1.00 0.00 H ATOM 146 HD21 ASN A 11 -1.241 -10.565 -4.988 1.00 0.00 H ATOM 147 HD22 ASN A 11 -2.040 -11.584 -3.890 1.00 0.00 H ATOM 148 N ASN A 12 2.011 -6.896 -2.040 1.00 0.00 N ATOM 149 CA ASN A 12 2.943 -5.746 -2.231 1.00 0.00 C ATOM 150 C ASN A 12 3.098 -4.979 -0.919 1.00 0.00 C ATOM 151 O ASN A 12 2.590 -3.885 -0.771 1.00 0.00 O ATOM 152 CB ASN A 12 2.291 -4.866 -3.301 1.00 0.00 C ATOM 153 CG ASN A 12 2.208 -5.637 -4.619 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.218 -5.948 -5.219 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.039 -5.960 -5.099 1.00 0.00 N ATOM 156 H ASN A 12 1.137 -6.757 -1.603 1.00 0.00 H ATOM 157 HA ASN A 12 3.902 -6.096 -2.577 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.298 -4.586 -2.984 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.886 -3.976 -3.444 1.00 0.00 H ATOM 160 HD21 ASN A 12 0.224 -5.708 -4.617 1.00 0.00 H ATOM 161 HD22 ASN A 12 0.976 -6.456 -5.943 1.00 0.00 H ATOM 162 N PRO A 13 3.800 -5.590 -0.004 1.00 0.00 N ATOM 163 CA PRO A 13 4.035 -4.970 1.324 1.00 0.00 C ATOM 164 C PRO A 13 4.993 -3.784 1.197 1.00 0.00 C ATOM 165 O PRO A 13 5.188 -3.029 2.129 1.00 0.00 O ATOM 166 CB PRO A 13 4.664 -6.098 2.138 1.00 0.00 C ATOM 167 CG PRO A 13 5.283 -7.004 1.123 1.00 0.00 C ATOM 168 CD PRO A 13 4.439 -6.905 -0.120 1.00 0.00 C ATOM 169 HA PRO A 13 3.104 -4.664 1.771 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.418 -5.701 2.803 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.908 -6.627 2.695 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.295 -6.686 0.914 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.280 -8.021 1.484 1.00 0.00 H ATOM 174 HD2 PRO A 13 5.061 -6.952 -1.004 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.691 -7.682 -0.137 1.00 0.00 H ATOM 176 N ASP A 14 5.590 -3.611 0.050 1.00 0.00 N ATOM 177 CA ASP A 14 6.531 -2.475 -0.136 1.00 0.00 C ATOM 178 C ASP A 14 5.811 -1.148 0.119 1.00 0.00 C ATOM 179 O ASP A 14 6.429 -0.113 0.263 1.00 0.00 O ATOM 180 CB ASP A 14 6.988 -2.570 -1.592 1.00 0.00 C ATOM 181 CG ASP A 14 5.850 -2.135 -2.518 1.00 0.00 C ATOM 182 OD1 ASP A 14 4.858 -2.841 -2.578 1.00 0.00 O ATOM 183 OD2 ASP A 14 5.991 -1.102 -3.153 1.00 0.00 O ATOM 184 H ASP A 14 5.421 -4.225 -0.687 1.00 0.00 H ATOM 185 HA ASP A 14 7.374 -2.582 0.521 1.00 0.00 H ATOM 186 HB2 ASP A 14 7.841 -1.924 -1.743 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.264 -3.589 -1.819 1.00 0.00 H ATOM 188 N TYR A 15 4.507 -1.173 0.175 1.00 0.00 N ATOM 189 CA TYR A 15 3.747 0.086 0.420 1.00 0.00 C ATOM 190 C TYR A 15 3.258 0.139 1.870 1.00 0.00 C ATOM 191 O TYR A 15 3.216 1.187 2.483 1.00 0.00 O ATOM 192 CB TYR A 15 2.561 0.025 -0.541 1.00 0.00 C ATOM 193 CG TYR A 15 2.478 1.315 -1.320 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.679 2.540 -0.671 1.00 0.00 C ATOM 195 CD2 TYR A 15 2.201 1.288 -2.692 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.602 3.736 -1.395 1.00 0.00 C ATOM 197 CE2 TYR A 15 2.124 2.484 -3.416 1.00 0.00 C ATOM 198 CZ TYR A 15 2.325 3.707 -2.767 1.00 0.00 C ATOM 199 OH TYR A 15 2.250 4.887 -3.480 1.00 0.00 O ATOM 200 H TYR A 15 4.027 -2.019 0.053 1.00 0.00 H ATOM 201 HA TYR A 15 4.358 0.943 0.198 1.00 0.00 H ATOM 202 HB2 TYR A 15 2.693 -0.801 -1.225 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.649 -0.114 0.020 1.00 0.00 H ATOM 204 HD1 TYR A 15 2.893 2.562 0.388 1.00 0.00 H ATOM 205 HD2 TYR A 15 2.046 0.344 -3.192 1.00 0.00 H ATOM 206 HE1 TYR A 15 2.757 4.681 -0.895 1.00 0.00 H ATOM 207 HE2 TYR A 15 1.910 2.462 -4.473 1.00 0.00 H ATOM 208 HH TYR A 15 2.859 4.826 -4.219 1.00 0.00 H ATOM 209 N CYS A 16 2.885 -0.983 2.419 1.00 0.00 N ATOM 210 CA CYS A 16 2.393 -0.996 3.827 1.00 0.00 C ATOM 211 C CYS A 16 3.350 -1.791 4.720 1.00 0.00 C ATOM 212 O CYS A 16 3.532 -1.473 5.877 1.00 0.00 O ATOM 213 CB CYS A 16 1.027 -1.679 3.757 1.00 0.00 C ATOM 214 SG CYS A 16 -0.202 -0.497 3.155 1.00 0.00 S ATOM 215 H CYS A 16 2.924 -1.814 1.904 1.00 0.00 H ATOM 216 HA CYS A 16 2.281 0.010 4.197 1.00 0.00 H ATOM 217 HB2 CYS A 16 1.080 -2.520 3.081 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.744 -2.026 4.739 1.00 0.00 H HETATM 219 N NH2 A 17 3.975 -2.824 4.225 1.00 0.00 N HETATM 220 HN1 NH2 A 17 3.829 -3.083 3.290 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.591 -3.340 4.786 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 6 ATOM 1 N GLY A 1 -5.405 3.330 -1.782 1.00 0.00 N ATOM 2 CA GLY A 1 -4.040 2.842 -1.437 1.00 0.00 C ATOM 3 C GLY A 1 -4.060 1.319 -1.304 1.00 0.00 C ATOM 4 O GLY A 1 -5.062 0.678 -1.549 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.097 2.572 -1.617 1.00 0.00 H ATOM 6 H2 GLY A 1 -5.430 3.613 -2.783 1.00 0.00 H ATOM 7 H3 GLY A 1 -5.643 4.147 -1.185 1.00 0.00 H ATOM 8 HA2 GLY A 1 -3.349 3.128 -2.218 1.00 0.00 H ATOM 9 HA3 GLY A 1 -3.727 3.278 -0.502 1.00 0.00 H ATOM 10 N CYS A 2 -2.959 0.735 -0.920 1.00 0.00 N ATOM 11 CA CYS A 2 -2.914 -0.748 -0.773 1.00 0.00 C ATOM 12 C CYS A 2 -3.160 -1.145 0.685 1.00 0.00 C ATOM 13 O CYS A 2 -3.491 -2.275 0.983 1.00 0.00 O ATOM 14 CB CYS A 2 -1.500 -1.143 -1.200 1.00 0.00 C ATOM 15 SG CYS A 2 -1.330 -0.944 -2.991 1.00 0.00 S ATOM 16 H CYS A 2 -2.161 1.270 -0.728 1.00 0.00 H ATOM 17 HA CYS A 2 -3.639 -1.214 -1.420 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.783 -0.510 -0.698 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.319 -2.174 -0.934 1.00 0.00 H ATOM 20 N CYS A 3 -2.988 -0.228 1.597 1.00 0.00 N ATOM 21 CA CYS A 3 -3.198 -0.555 3.031 1.00 0.00 C ATOM 22 C CYS A 3 -4.648 -0.966 3.284 1.00 0.00 C ATOM 23 O CYS A 3 -4.929 -1.796 4.127 1.00 0.00 O ATOM 24 CB CYS A 3 -2.860 0.731 3.785 1.00 0.00 C ATOM 25 SG CYS A 3 -1.073 0.822 4.055 1.00 0.00 S ATOM 26 H CYS A 3 -2.711 0.671 1.341 1.00 0.00 H ATOM 27 HA CYS A 3 -2.531 -1.339 3.326 1.00 0.00 H ATOM 28 HB2 CYS A 3 -3.180 1.583 3.203 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.369 0.734 4.737 1.00 0.00 H ATOM 30 N GLU A 4 -5.570 -0.405 2.556 1.00 0.00 N ATOM 31 CA GLU A 4 -6.996 -0.781 2.751 1.00 0.00 C ATOM 32 C GLU A 4 -7.305 -2.028 1.925 1.00 0.00 C ATOM 33 O GLU A 4 -8.436 -2.465 1.835 1.00 0.00 O ATOM 34 CB GLU A 4 -7.799 0.416 2.242 1.00 0.00 C ATOM 35 CG GLU A 4 -7.935 1.454 3.357 1.00 0.00 C ATOM 36 CD GLU A 4 -9.198 1.165 4.172 1.00 0.00 C ATOM 37 OE1 GLU A 4 -10.031 0.414 3.691 1.00 0.00 O ATOM 38 OE2 GLU A 4 -9.311 1.702 5.261 1.00 0.00 O ATOM 39 H GLU A 4 -5.324 0.250 1.872 1.00 0.00 H ATOM 40 HA GLU A 4 -7.205 -0.953 3.796 1.00 0.00 H ATOM 41 HB2 GLU A 4 -7.289 0.858 1.398 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.782 0.088 1.937 1.00 0.00 H ATOM 43 HG2 GLU A 4 -7.070 1.403 4.002 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.006 2.440 2.924 1.00 0.00 H ATOM 45 N ILE A 5 -6.300 -2.601 1.321 1.00 0.00 N ATOM 46 CA ILE A 5 -6.519 -3.817 0.493 1.00 0.00 C ATOM 47 C ILE A 5 -5.364 -4.799 0.697 1.00 0.00 C ATOM 48 O ILE A 5 -4.215 -4.448 0.515 1.00 0.00 O ATOM 49 CB ILE A 5 -6.528 -3.309 -0.949 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.711 -2.360 -1.157 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.653 -4.492 -1.904 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.193 -0.994 -1.608 1.00 0.00 C ATOM 53 H ILE A 5 -5.395 -2.230 1.411 1.00 0.00 H ATOM 54 HA ILE A 5 -7.463 -4.279 0.731 1.00 0.00 H ATOM 55 HB ILE A 5 -5.605 -2.783 -1.149 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.369 -2.765 -1.913 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.253 -2.249 -0.231 1.00 0.00 H ATOM 58 HG21 ILE A 5 -6.815 -4.128 -2.907 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.485 -5.110 -1.604 1.00 0.00 H ATOM 60 HG23 ILE A 5 -5.743 -5.073 -1.876 1.00 0.00 H ATOM 61 HD11 ILE A 5 -7.847 -0.594 -2.368 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.196 -1.104 -2.012 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.166 -0.322 -0.763 1.00 0.00 H ATOM 64 N PRO A 6 -5.704 -6.003 1.065 1.00 0.00 N ATOM 65 CA PRO A 6 -4.672 -7.040 1.288 1.00 0.00 C ATOM 66 C PRO A 6 -4.085 -7.492 -0.049 1.00 0.00 C ATOM 67 O PRO A 6 -2.911 -7.781 -0.158 1.00 0.00 O ATOM 68 CB PRO A 6 -5.439 -8.174 1.960 1.00 0.00 C ATOM 69 CG PRO A 6 -6.859 -7.987 1.526 1.00 0.00 C ATOM 70 CD PRO A 6 -7.060 -6.509 1.303 1.00 0.00 C ATOM 71 HA PRO A 6 -3.897 -6.673 1.942 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.062 -9.131 1.624 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.368 -8.094 3.033 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.037 -8.530 0.607 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.530 -8.333 2.297 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.690 -6.340 0.440 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.482 -6.046 2.181 1.00 0.00 H ATOM 78 N ALA A 7 -4.895 -7.545 -1.068 1.00 0.00 N ATOM 79 CA ALA A 7 -4.386 -7.968 -2.397 1.00 0.00 C ATOM 80 C ALA A 7 -3.131 -7.173 -2.732 1.00 0.00 C ATOM 81 O ALA A 7 -2.281 -7.613 -3.480 1.00 0.00 O ATOM 82 CB ALA A 7 -5.505 -7.637 -3.380 1.00 0.00 C ATOM 83 H ALA A 7 -5.830 -7.299 -0.961 1.00 0.00 H ATOM 84 HA ALA A 7 -4.185 -9.025 -2.404 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.225 -6.772 -3.964 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.411 -7.425 -2.835 1.00 0.00 H ATOM 87 HB3 ALA A 7 -5.666 -8.479 -4.037 1.00 0.00 H ATOM 88 N CYS A 8 -3.011 -6.002 -2.177 1.00 0.00 N ATOM 89 CA CYS A 8 -1.808 -5.169 -2.450 1.00 0.00 C ATOM 90 C CYS A 8 -0.918 -5.129 -1.210 1.00 0.00 C ATOM 91 O CYS A 8 0.291 -5.117 -1.301 1.00 0.00 O ATOM 92 CB CYS A 8 -2.351 -3.778 -2.777 1.00 0.00 C ATOM 93 SG CYS A 8 -1.094 -2.831 -3.671 1.00 0.00 S ATOM 94 H CYS A 8 -3.714 -5.673 -1.574 1.00 0.00 H ATOM 95 HA CYS A 8 -1.262 -5.565 -3.288 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.234 -3.872 -3.391 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.603 -3.266 -1.861 1.00 0.00 H ATOM 98 N ILE A 9 -1.505 -5.113 -0.050 1.00 0.00 N ATOM 99 CA ILE A 9 -0.689 -5.084 1.182 1.00 0.00 C ATOM 100 C ILE A 9 -0.121 -6.483 1.448 1.00 0.00 C ATOM 101 O ILE A 9 0.995 -6.639 1.903 1.00 0.00 O ATOM 102 CB ILE A 9 -1.655 -4.612 2.285 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.024 -3.444 3.042 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.967 -5.739 3.277 1.00 0.00 C ATOM 105 CD1 ILE A 9 0.222 -3.931 3.784 1.00 0.00 C ATOM 106 H ILE A 9 -2.474 -5.122 0.009 1.00 0.00 H ATOM 107 HA ILE A 9 0.103 -4.378 1.065 1.00 0.00 H ATOM 108 HB ILE A 9 -2.572 -4.281 1.824 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.750 -2.669 2.341 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.734 -3.051 3.754 1.00 0.00 H ATOM 111 HG21 ILE A 9 -1.127 -5.875 3.942 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.150 -6.654 2.736 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.843 -5.479 3.852 1.00 0.00 H ATOM 114 HD11 ILE A 9 0.382 -3.319 4.659 1.00 0.00 H ATOM 115 HD12 ILE A 9 1.081 -3.858 3.133 1.00 0.00 H ATOM 116 HD13 ILE A 9 0.084 -4.958 4.084 1.00 0.00 H ATOM 117 N MET A 10 -0.885 -7.499 1.156 1.00 0.00 N ATOM 118 CA MET A 10 -0.407 -8.885 1.374 1.00 0.00 C ATOM 119 C MET A 10 0.552 -9.290 0.256 1.00 0.00 C ATOM 120 O MET A 10 1.527 -9.981 0.478 1.00 0.00 O ATOM 121 CB MET A 10 -1.665 -9.751 1.337 1.00 0.00 C ATOM 122 CG MET A 10 -1.285 -11.217 1.555 1.00 0.00 C ATOM 123 SD MET A 10 -2.080 -11.834 3.059 1.00 0.00 S ATOM 124 CE MET A 10 -0.867 -13.122 3.441 1.00 0.00 C ATOM 125 H MET A 10 -1.772 -7.349 0.790 1.00 0.00 H ATOM 126 HA MET A 10 0.066 -8.964 2.329 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.344 -9.433 2.115 1.00 0.00 H ATOM 128 HB3 MET A 10 -2.144 -9.646 0.376 1.00 0.00 H ATOM 129 HG2 MET A 10 -1.611 -11.803 0.709 1.00 0.00 H ATOM 130 HG3 MET A 10 -0.213 -11.299 1.655 1.00 0.00 H ATOM 131 HE1 MET A 10 -0.931 -13.375 4.491 1.00 0.00 H ATOM 132 HE2 MET A 10 0.124 -12.760 3.211 1.00 0.00 H ATOM 133 HE3 MET A 10 -1.075 -13.999 2.851 1.00 0.00 H ATOM 134 N ASN A 11 0.284 -8.860 -0.945 1.00 0.00 N ATOM 135 CA ASN A 11 1.182 -9.215 -2.079 1.00 0.00 C ATOM 136 C ASN A 11 2.163 -8.073 -2.333 1.00 0.00 C ATOM 137 O ASN A 11 3.238 -8.267 -2.866 1.00 0.00 O ATOM 138 CB ASN A 11 0.254 -9.405 -3.278 1.00 0.00 C ATOM 139 CG ASN A 11 -0.506 -10.724 -3.131 1.00 0.00 C ATOM 140 OD1 ASN A 11 0.094 -11.776 -3.034 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.811 -10.713 -3.111 1.00 0.00 N ATOM 142 H ASN A 11 -0.506 -8.297 -1.102 1.00 0.00 H ATOM 143 HA ASN A 11 1.711 -10.131 -1.870 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.448 -8.586 -3.322 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.838 -9.427 -4.186 1.00 0.00 H ATOM 146 HD21 ASN A 11 -2.294 -9.865 -3.189 1.00 0.00 H ATOM 147 HD22 ASN A 11 -2.307 -11.553 -3.018 1.00 0.00 H ATOM 148 N ASN A 12 1.804 -6.880 -1.943 1.00 0.00 N ATOM 149 CA ASN A 12 2.720 -5.725 -2.152 1.00 0.00 C ATOM 150 C ASN A 12 2.848 -4.925 -0.854 1.00 0.00 C ATOM 151 O ASN A 12 2.465 -3.774 -0.790 1.00 0.00 O ATOM 152 CB ASN A 12 2.064 -4.881 -3.247 1.00 0.00 C ATOM 153 CG ASN A 12 2.654 -5.264 -4.607 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.572 -4.630 -5.086 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.159 -6.285 -5.253 1.00 0.00 N ATOM 156 H ASN A 12 0.930 -6.745 -1.505 1.00 0.00 H ATOM 157 HA ASN A 12 3.689 -6.067 -2.480 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.000 -5.062 -3.253 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.253 -3.835 -3.058 1.00 0.00 H ATOM 160 HD21 ASN A 12 1.418 -6.797 -4.868 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.528 -6.538 -6.125 1.00 0.00 H ATOM 162 N PRO A 13 3.388 -5.573 0.143 1.00 0.00 N ATOM 163 CA PRO A 13 3.576 -4.928 1.465 1.00 0.00 C ATOM 164 C PRO A 13 4.696 -3.888 1.393 1.00 0.00 C ATOM 165 O PRO A 13 4.758 -2.973 2.188 1.00 0.00 O ATOM 166 CB PRO A 13 3.967 -6.086 2.378 1.00 0.00 C ATOM 167 CG PRO A 13 4.556 -7.114 1.464 1.00 0.00 C ATOM 168 CD PRO A 13 3.871 -6.958 0.131 1.00 0.00 C ATOM 169 HA PRO A 13 2.657 -4.479 1.807 1.00 0.00 H ATOM 170 HB2 PRO A 13 4.700 -5.760 3.104 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.097 -6.487 2.872 1.00 0.00 H ATOM 172 HG2 PRO A 13 5.618 -6.945 1.357 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.374 -8.103 1.852 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.575 -7.112 -0.676 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.040 -7.641 0.049 1.00 0.00 H ATOM 176 N ASP A 14 5.578 -4.020 0.442 1.00 0.00 N ATOM 177 CA ASP A 14 6.687 -3.039 0.318 1.00 0.00 C ATOM 178 C ASP A 14 6.111 -1.624 0.313 1.00 0.00 C ATOM 179 O ASP A 14 6.787 -0.662 0.620 1.00 0.00 O ATOM 180 CB ASP A 14 7.356 -3.357 -1.020 1.00 0.00 C ATOM 181 CG ASP A 14 8.585 -2.464 -1.201 1.00 0.00 C ATOM 182 OD1 ASP A 14 8.425 -1.255 -1.160 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.664 -3.003 -1.377 1.00 0.00 O ATOM 184 H ASP A 14 5.511 -4.758 -0.191 1.00 0.00 H ATOM 185 HA ASP A 14 7.388 -3.163 1.124 1.00 0.00 H ATOM 186 HB2 ASP A 14 7.659 -4.394 -1.032 1.00 0.00 H ATOM 187 HB3 ASP A 14 6.659 -3.176 -1.824 1.00 0.00 H ATOM 188 N TYR A 15 4.860 -1.497 -0.032 1.00 0.00 N ATOM 189 CA TYR A 15 4.225 -0.147 -0.057 1.00 0.00 C ATOM 190 C TYR A 15 3.599 0.163 1.305 1.00 0.00 C ATOM 191 O TYR A 15 3.723 1.255 1.823 1.00 0.00 O ATOM 192 CB TYR A 15 3.147 -0.235 -1.137 1.00 0.00 C ATOM 193 CG TYR A 15 2.819 1.153 -1.633 1.00 0.00 C ATOM 194 CD1 TYR A 15 3.640 1.768 -2.586 1.00 0.00 C ATOM 195 CD2 TYR A 15 1.695 1.826 -1.140 1.00 0.00 C ATOM 196 CE1 TYR A 15 3.337 3.055 -3.045 1.00 0.00 C ATOM 197 CE2 TYR A 15 1.392 3.113 -1.599 1.00 0.00 C ATOM 198 CZ TYR A 15 2.213 3.727 -2.552 1.00 0.00 C ATOM 199 OH TYR A 15 1.913 4.997 -3.005 1.00 0.00 O ATOM 200 H TYR A 15 4.336 -2.290 -0.273 1.00 0.00 H ATOM 201 HA TYR A 15 4.949 0.604 -0.318 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.508 -0.837 -1.957 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.259 -0.687 -0.723 1.00 0.00 H ATOM 204 HD1 TYR A 15 4.508 1.249 -2.966 1.00 0.00 H ATOM 205 HD2 TYR A 15 1.062 1.353 -0.404 1.00 0.00 H ATOM 206 HE1 TYR A 15 3.970 3.529 -3.780 1.00 0.00 H ATOM 207 HE2 TYR A 15 0.524 3.632 -1.218 1.00 0.00 H ATOM 208 HH TYR A 15 2.650 5.572 -2.786 1.00 0.00 H ATOM 209 N CYS A 16 2.929 -0.791 1.886 1.00 0.00 N ATOM 210 CA CYS A 16 2.292 -0.560 3.215 1.00 0.00 C ATOM 211 C CYS A 16 3.138 -1.193 4.324 1.00 0.00 C ATOM 212 O CYS A 16 4.207 -1.712 4.074 1.00 0.00 O ATOM 213 CB CYS A 16 0.928 -1.246 3.123 1.00 0.00 C ATOM 214 SG CYS A 16 -0.280 -0.088 2.435 1.00 0.00 S ATOM 215 H CYS A 16 2.843 -1.663 1.447 1.00 0.00 H ATOM 216 HA CYS A 16 2.163 0.495 3.392 1.00 0.00 H ATOM 217 HB2 CYS A 16 1.003 -2.111 2.483 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.610 -1.553 4.109 1.00 0.00 H HETATM 219 N NH2 A 17 2.699 -1.171 5.553 1.00 0.00 N HETATM 220 HN1 NH2 A 17 1.837 -0.754 5.759 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.232 -1.575 6.271 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 7 ATOM 1 N GLY A 1 -4.740 3.175 -0.792 1.00 0.00 N ATOM 2 CA GLY A 1 -4.260 2.632 -2.095 1.00 0.00 C ATOM 3 C GLY A 1 -4.048 1.123 -1.971 1.00 0.00 C ATOM 4 O GLY A 1 -4.595 0.345 -2.728 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.437 3.926 -0.965 1.00 0.00 H ATOM 6 H2 GLY A 1 -3.933 3.565 -0.262 1.00 0.00 H ATOM 7 H3 GLY A 1 -5.183 2.414 -0.240 1.00 0.00 H ATOM 8 HA2 GLY A 1 -4.995 2.833 -2.861 1.00 0.00 H ATOM 9 HA3 GLY A 1 -3.325 3.102 -2.359 1.00 0.00 H ATOM 10 N CYS A 2 -3.257 0.702 -1.023 1.00 0.00 N ATOM 11 CA CYS A 2 -3.011 -0.759 -0.851 1.00 0.00 C ATOM 12 C CYS A 2 -3.264 -1.168 0.601 1.00 0.00 C ATOM 13 O CYS A 2 -3.743 -2.250 0.878 1.00 0.00 O ATOM 14 CB CYS A 2 -1.541 -0.959 -1.217 1.00 0.00 C ATOM 15 SG CYS A 2 -1.370 -1.010 -3.018 1.00 0.00 S ATOM 16 H CYS A 2 -2.826 1.345 -0.423 1.00 0.00 H ATOM 17 HA CYS A 2 -3.637 -1.327 -1.517 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.956 -0.141 -0.823 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.188 -1.888 -0.796 1.00 0.00 H ATOM 20 N CYS A 3 -2.947 -0.310 1.529 1.00 0.00 N ATOM 21 CA CYS A 3 -3.167 -0.644 2.959 1.00 0.00 C ATOM 22 C CYS A 3 -4.629 -1.022 3.183 1.00 0.00 C ATOM 23 O CYS A 3 -4.952 -1.827 4.033 1.00 0.00 O ATOM 24 CB CYS A 3 -2.816 0.630 3.727 1.00 0.00 C ATOM 25 SG CYS A 3 -1.140 0.489 4.393 1.00 0.00 S ATOM 26 H CYS A 3 -2.566 0.551 1.285 1.00 0.00 H ATOM 27 HA CYS A 3 -2.519 -1.447 3.254 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.867 1.478 3.060 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.514 0.766 4.538 1.00 0.00 H ATOM 30 N GLU A 4 -5.513 -0.454 2.414 1.00 0.00 N ATOM 31 CA GLU A 4 -6.955 -0.788 2.567 1.00 0.00 C ATOM 32 C GLU A 4 -7.272 -2.041 1.753 1.00 0.00 C ATOM 33 O GLU A 4 -8.412 -2.440 1.621 1.00 0.00 O ATOM 34 CB GLU A 4 -7.708 0.421 2.012 1.00 0.00 C ATOM 35 CG GLU A 4 -7.489 1.626 2.929 1.00 0.00 C ATOM 36 CD GLU A 4 -8.842 2.200 3.350 1.00 0.00 C ATOM 37 OE1 GLU A 4 -9.500 1.577 4.166 1.00 0.00 O ATOM 38 OE2 GLU A 4 -9.198 3.255 2.849 1.00 0.00 O ATOM 39 H GLU A 4 -5.225 0.182 1.725 1.00 0.00 H ATOM 40 HA GLU A 4 -7.203 -0.936 3.606 1.00 0.00 H ATOM 41 HB2 GLU A 4 -7.341 0.650 1.021 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.763 0.197 1.960 1.00 0.00 H ATOM 43 HG2 GLU A 4 -6.940 1.315 3.806 1.00 0.00 H ATOM 44 HG3 GLU A 4 -6.927 2.383 2.402 1.00 0.00 H ATOM 45 N ILE A 5 -6.263 -2.666 1.206 1.00 0.00 N ATOM 46 CA ILE A 5 -6.488 -3.894 0.396 1.00 0.00 C ATOM 47 C ILE A 5 -5.353 -4.886 0.651 1.00 0.00 C ATOM 48 O ILE A 5 -4.196 -4.562 0.468 1.00 0.00 O ATOM 49 CB ILE A 5 -6.464 -3.418 -1.056 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.726 -2.603 -1.351 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.410 -4.626 -1.989 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.328 -1.192 -1.787 1.00 0.00 C ATOM 53 H ILE A 5 -5.350 -2.326 1.329 1.00 0.00 H ATOM 54 HA ILE A 5 -7.443 -4.334 0.629 1.00 0.00 H ATOM 55 HB ILE A 5 -5.590 -2.802 -1.217 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.285 -3.081 -2.143 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.335 -2.545 -0.464 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.428 -4.692 -2.434 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.150 -4.513 -2.766 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.612 -5.524 -1.426 1.00 0.00 H ATOM 61 HD11 ILE A 5 -7.860 -0.930 -2.689 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.265 -1.160 -1.973 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.577 -0.490 -1.004 1.00 0.00 H ATOM 64 N PRO A 6 -5.718 -6.065 1.068 1.00 0.00 N ATOM 65 CA PRO A 6 -4.707 -7.108 1.352 1.00 0.00 C ATOM 66 C PRO A 6 -4.093 -7.618 0.048 1.00 0.00 C ATOM 67 O PRO A 6 -2.942 -8.003 -0.001 1.00 0.00 O ATOM 68 CB PRO A 6 -5.507 -8.203 2.053 1.00 0.00 C ATOM 69 CG PRO A 6 -6.915 -8.009 1.588 1.00 0.00 C ATOM 70 CD PRO A 6 -7.086 -6.537 1.308 1.00 0.00 C ATOM 71 HA PRO A 6 -3.943 -6.726 2.009 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.143 -9.178 1.762 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.452 -8.084 3.124 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.088 -8.582 0.688 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.605 -8.314 2.360 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.702 -6.388 0.431 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.508 -6.033 2.163 1.00 0.00 H ATOM 78 N ALA A 7 -4.852 -7.617 -1.011 1.00 0.00 N ATOM 79 CA ALA A 7 -4.310 -8.091 -2.309 1.00 0.00 C ATOM 80 C ALA A 7 -3.021 -7.340 -2.626 1.00 0.00 C ATOM 81 O ALA A 7 -2.112 -7.867 -3.235 1.00 0.00 O ATOM 82 CB ALA A 7 -5.385 -7.758 -3.338 1.00 0.00 C ATOM 83 H ALA A 7 -5.769 -7.297 -0.955 1.00 0.00 H ATOM 84 HA ALA A 7 -4.139 -9.151 -2.278 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.600 -8.635 -3.930 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.033 -6.965 -3.983 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.282 -7.436 -2.830 1.00 0.00 H ATOM 88 N CYS A 8 -2.939 -6.109 -2.209 1.00 0.00 N ATOM 89 CA CYS A 8 -1.709 -5.315 -2.476 1.00 0.00 C ATOM 90 C CYS A 8 -0.834 -5.274 -1.226 1.00 0.00 C ATOM 91 O CYS A 8 0.376 -5.262 -1.303 1.00 0.00 O ATOM 92 CB CYS A 8 -2.203 -3.913 -2.835 1.00 0.00 C ATOM 93 SG CYS A 8 -0.809 -2.911 -3.410 1.00 0.00 S ATOM 94 H CYS A 8 -3.687 -5.708 -1.716 1.00 0.00 H ATOM 95 HA CYS A 8 -1.161 -5.738 -3.301 1.00 0.00 H ATOM 96 HB2 CYS A 8 -2.945 -3.982 -3.617 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.642 -3.451 -1.963 1.00 0.00 H ATOM 98 N ILE A 9 -1.432 -5.252 -0.071 1.00 0.00 N ATOM 99 CA ILE A 9 -0.627 -5.214 1.170 1.00 0.00 C ATOM 100 C ILE A 9 -0.035 -6.602 1.444 1.00 0.00 C ATOM 101 O ILE A 9 1.089 -6.736 1.884 1.00 0.00 O ATOM 102 CB ILE A 9 -1.608 -4.757 2.267 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.963 -3.626 3.074 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.968 -5.914 3.210 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.774 -3.371 4.346 1.00 0.00 C ATOM 106 H ILE A 9 -2.402 -5.256 -0.021 1.00 0.00 H ATOM 107 HA ILE A 9 0.155 -4.497 1.059 1.00 0.00 H ATOM 108 HB ILE A 9 -2.508 -4.390 1.799 1.00 0.00 H ATOM 109 HG12 ILE A 9 0.047 -3.904 3.339 1.00 0.00 H ATOM 110 HG13 ILE A 9 -0.944 -2.725 2.477 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.829 -5.639 3.802 1.00 0.00 H ATOM 112 HG22 ILE A 9 -1.133 -6.119 3.863 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.197 -6.795 2.631 1.00 0.00 H ATOM 114 HD11 ILE A 9 -1.609 -2.358 4.683 1.00 0.00 H ATOM 115 HD12 ILE A 9 -1.463 -4.062 5.116 1.00 0.00 H ATOM 116 HD13 ILE A 9 -2.825 -3.515 4.139 1.00 0.00 H ATOM 117 N MET A 10 -0.789 -7.633 1.183 1.00 0.00 N ATOM 118 CA MET A 10 -0.286 -9.008 1.421 1.00 0.00 C ATOM 119 C MET A 10 0.663 -9.424 0.295 1.00 0.00 C ATOM 120 O MET A 10 1.598 -10.171 0.502 1.00 0.00 O ATOM 121 CB MET A 10 -1.533 -9.892 1.427 1.00 0.00 C ATOM 122 CG MET A 10 -1.430 -10.912 2.562 1.00 0.00 C ATOM 123 SD MET A 10 -0.662 -12.430 1.944 1.00 0.00 S ATOM 124 CE MET A 10 -0.859 -13.411 3.452 1.00 0.00 C ATOM 125 H MET A 10 -1.686 -7.503 0.833 1.00 0.00 H ATOM 126 HA MET A 10 0.204 -9.058 2.369 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.408 -9.277 1.573 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.609 -10.412 0.483 1.00 0.00 H ATOM 129 HG2 MET A 10 -0.827 -10.504 3.360 1.00 0.00 H ATOM 130 HG3 MET A 10 -2.419 -11.135 2.935 1.00 0.00 H ATOM 131 HE1 MET A 10 -0.173 -13.050 4.206 1.00 0.00 H ATOM 132 HE2 MET A 10 -0.649 -14.450 3.235 1.00 0.00 H ATOM 133 HE3 MET A 10 -1.869 -13.318 3.815 1.00 0.00 H ATOM 134 N ASN A 11 0.429 -8.943 -0.895 1.00 0.00 N ATOM 135 CA ASN A 11 1.319 -9.311 -2.033 1.00 0.00 C ATOM 136 C ASN A 11 2.292 -8.170 -2.327 1.00 0.00 C ATOM 137 O ASN A 11 3.361 -8.377 -2.866 1.00 0.00 O ATOM 138 CB ASN A 11 0.381 -9.536 -3.218 1.00 0.00 C ATOM 139 CG ASN A 11 -0.594 -10.669 -2.890 1.00 0.00 C ATOM 140 OD1 ASN A 11 -0.247 -11.601 -2.193 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.809 -10.626 -3.364 1.00 0.00 N ATOM 142 H ASN A 11 -0.331 -8.339 -1.042 1.00 0.00 H ATOM 143 HA ASN A 11 1.858 -10.218 -1.811 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.171 -8.631 -3.418 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.960 -9.806 -4.089 1.00 0.00 H ATOM 146 HD21 ASN A 11 -2.089 -9.873 -3.926 1.00 0.00 H ATOM 147 HD22 ASN A 11 -2.441 -11.346 -3.160 1.00 0.00 H ATOM 148 N ASN A 12 1.935 -6.964 -1.975 1.00 0.00 N ATOM 149 CA ASN A 12 2.851 -5.815 -2.237 1.00 0.00 C ATOM 150 C ASN A 12 3.019 -4.978 -0.967 1.00 0.00 C ATOM 151 O ASN A 12 2.566 -3.853 -0.900 1.00 0.00 O ATOM 152 CB ASN A 12 2.174 -4.995 -3.339 1.00 0.00 C ATOM 153 CG ASN A 12 1.595 -5.933 -4.401 1.00 0.00 C ATOM 154 OD1 ASN A 12 0.426 -5.862 -4.719 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.373 -6.817 -4.964 1.00 0.00 N ATOM 156 H ASN A 12 1.065 -6.813 -1.536 1.00 0.00 H ATOM 157 HA ASN A 12 3.810 -6.171 -2.580 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.381 -4.401 -2.912 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.902 -4.343 -3.799 1.00 0.00 H ATOM 160 HD21 ASN A 12 3.316 -6.875 -4.707 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.013 -7.422 -5.645 1.00 0.00 H ATOM 162 N PRO A 13 3.668 -5.565 0.001 1.00 0.00 N ATOM 163 CA PRO A 13 3.905 -4.873 1.291 1.00 0.00 C ATOM 164 C PRO A 13 4.959 -3.776 1.123 1.00 0.00 C ATOM 165 O PRO A 13 5.278 -3.060 2.052 1.00 0.00 O ATOM 166 CB PRO A 13 4.413 -5.984 2.205 1.00 0.00 C ATOM 167 CG PRO A 13 4.998 -7.006 1.283 1.00 0.00 C ATOM 168 CD PRO A 13 4.238 -6.917 -0.014 1.00 0.00 C ATOM 169 HA PRO A 13 2.985 -4.465 1.680 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.171 -5.600 2.876 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.598 -6.416 2.764 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.046 -6.795 1.117 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.882 -7.993 1.704 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.910 -7.039 -0.854 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.451 -7.653 -0.045 1.00 0.00 H ATOM 176 N ASP A 14 5.501 -3.636 -0.056 1.00 0.00 N ATOM 177 CA ASP A 14 6.529 -2.588 -0.281 1.00 0.00 C ATOM 178 C ASP A 14 5.971 -1.224 0.121 1.00 0.00 C ATOM 179 O ASP A 14 6.687 -0.353 0.571 1.00 0.00 O ATOM 180 CB ASP A 14 6.819 -2.631 -1.783 1.00 0.00 C ATOM 181 CG ASP A 14 7.677 -3.856 -2.103 1.00 0.00 C ATOM 182 OD1 ASP A 14 7.260 -4.952 -1.762 1.00 0.00 O ATOM 183 OD2 ASP A 14 8.735 -3.678 -2.683 1.00 0.00 O ATOM 184 H ASP A 14 5.233 -4.219 -0.791 1.00 0.00 H ATOM 185 HA ASP A 14 7.419 -2.814 0.273 1.00 0.00 H ATOM 186 HB2 ASP A 14 5.888 -2.689 -2.327 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.350 -1.736 -2.072 1.00 0.00 H ATOM 188 N TYR A 15 4.690 -1.040 -0.036 1.00 0.00 N ATOM 189 CA TYR A 15 4.070 0.262 0.339 1.00 0.00 C ATOM 190 C TYR A 15 3.528 0.188 1.766 1.00 0.00 C ATOM 191 O TYR A 15 3.644 1.120 2.538 1.00 0.00 O ATOM 192 CB TYR A 15 2.929 0.460 -0.660 1.00 0.00 C ATOM 193 CG TYR A 15 2.845 1.915 -1.051 1.00 0.00 C ATOM 194 CD1 TYR A 15 3.810 2.466 -1.904 1.00 0.00 C ATOM 195 CD2 TYR A 15 1.804 2.713 -0.564 1.00 0.00 C ATOM 196 CE1 TYR A 15 3.733 3.815 -2.270 1.00 0.00 C ATOM 197 CE2 TYR A 15 1.727 4.063 -0.929 1.00 0.00 C ATOM 198 CZ TYR A 15 2.691 4.614 -1.782 1.00 0.00 C ATOM 199 OH TYR A 15 2.614 5.944 -2.142 1.00 0.00 O ATOM 200 H TYR A 15 4.134 -1.762 -0.397 1.00 0.00 H ATOM 201 HA TYR A 15 4.785 1.061 0.248 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.112 -0.140 -1.539 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.996 0.157 -0.205 1.00 0.00 H ATOM 204 HD1 TYR A 15 4.614 1.850 -2.279 1.00 0.00 H ATOM 205 HD2 TYR A 15 1.060 2.289 0.095 1.00 0.00 H ATOM 206 HE1 TYR A 15 4.476 4.240 -2.927 1.00 0.00 H ATOM 207 HE2 TYR A 15 0.924 4.680 -0.553 1.00 0.00 H ATOM 208 HH TYR A 15 1.862 6.049 -2.729 1.00 0.00 H ATOM 209 N CYS A 16 2.938 -0.917 2.123 1.00 0.00 N ATOM 210 CA CYS A 16 2.386 -1.060 3.499 1.00 0.00 C ATOM 211 C CYS A 16 3.124 -2.172 4.250 1.00 0.00 C ATOM 212 O CYS A 16 3.976 -1.907 5.074 1.00 0.00 O ATOM 213 CB CYS A 16 0.919 -1.433 3.296 1.00 0.00 C ATOM 214 SG CYS A 16 -0.008 0.034 2.783 1.00 0.00 S ATOM 215 H CYS A 16 2.855 -1.655 1.482 1.00 0.00 H ATOM 216 HA CYS A 16 2.460 -0.127 4.035 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.844 -2.192 2.532 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.512 -1.812 4.222 1.00 0.00 H HETATM 219 N NH2 A 17 2.827 -3.417 3.998 1.00 0.00 N HETATM 220 HN1 NH2 A 17 2.139 -3.631 3.334 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.291 -4.138 4.473 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 8 ATOM 1 N GLY A 1 -4.423 4.143 -2.025 1.00 0.00 N ATOM 2 CA GLY A 1 -3.450 3.457 -1.127 1.00 0.00 C ATOM 3 C GLY A 1 -3.738 1.955 -1.116 1.00 0.00 C ATOM 4 O GLY A 1 -4.852 1.526 -1.344 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.211 4.519 -1.460 1.00 0.00 H ATOM 6 H2 GLY A 1 -4.788 3.463 -2.722 1.00 0.00 H ATOM 7 H3 GLY A 1 -3.948 4.926 -2.517 1.00 0.00 H ATOM 8 HA2 GLY A 1 -2.446 3.632 -1.485 1.00 0.00 H ATOM 9 HA3 GLY A 1 -3.549 3.847 -0.125 1.00 0.00 H ATOM 10 N CYS A 2 -2.743 1.153 -0.853 1.00 0.00 N ATOM 11 CA CYS A 2 -2.962 -0.321 -0.828 1.00 0.00 C ATOM 12 C CYS A 2 -3.210 -0.794 0.608 1.00 0.00 C ATOM 13 O CYS A 2 -3.753 -1.856 0.837 1.00 0.00 O ATOM 14 CB CYS A 2 -1.669 -0.924 -1.374 1.00 0.00 C ATOM 15 SG CYS A 2 -1.790 -1.084 -3.173 1.00 0.00 S ATOM 16 H CYS A 2 -1.853 1.520 -0.671 1.00 0.00 H ATOM 17 HA CYS A 2 -3.791 -0.591 -1.462 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.837 -0.282 -1.125 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.512 -1.900 -0.937 1.00 0.00 H ATOM 20 N CYS A 3 -2.815 -0.011 1.574 1.00 0.00 N ATOM 21 CA CYS A 3 -3.024 -0.410 2.990 1.00 0.00 C ATOM 22 C CYS A 3 -4.502 -0.701 3.239 1.00 0.00 C ATOM 23 O CYS A 3 -4.861 -1.418 4.151 1.00 0.00 O ATOM 24 CB CYS A 3 -2.566 0.792 3.817 1.00 0.00 C ATOM 25 SG CYS A 3 -1.079 0.353 4.750 1.00 0.00 S ATOM 26 H CYS A 3 -2.380 0.835 1.370 1.00 0.00 H ATOM 27 HA CYS A 3 -2.424 -1.270 3.224 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.345 1.619 3.157 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.349 1.078 4.502 1.00 0.00 H ATOM 30 N GLU A 4 -5.362 -0.159 2.424 1.00 0.00 N ATOM 31 CA GLU A 4 -6.817 -0.416 2.603 1.00 0.00 C ATOM 32 C GLU A 4 -7.202 -1.691 1.851 1.00 0.00 C ATOM 33 O GLU A 4 -8.353 -2.077 1.806 1.00 0.00 O ATOM 34 CB GLU A 4 -7.517 0.804 2.001 1.00 0.00 C ATOM 35 CG GLU A 4 -7.082 0.976 0.545 1.00 0.00 C ATOM 36 CD GLU A 4 -8.252 1.522 -0.275 1.00 0.00 C ATOM 37 OE1 GLU A 4 -9.348 1.007 -0.124 1.00 0.00 O ATOM 38 OE2 GLU A 4 -8.031 2.446 -1.041 1.00 0.00 O ATOM 39 H GLU A 4 -5.049 0.407 1.685 1.00 0.00 H ATOM 40 HA GLU A 4 -7.059 -0.504 3.651 1.00 0.00 H ATOM 41 HB2 GLU A 4 -8.587 0.661 2.044 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.248 1.686 2.562 1.00 0.00 H ATOM 43 HG2 GLU A 4 -6.253 1.667 0.496 1.00 0.00 H ATOM 44 HG3 GLU A 4 -6.780 0.020 0.146 1.00 0.00 H ATOM 45 N ILE A 5 -6.238 -2.348 1.264 1.00 0.00 N ATOM 46 CA ILE A 5 -6.528 -3.600 0.515 1.00 0.00 C ATOM 47 C ILE A 5 -5.430 -4.628 0.792 1.00 0.00 C ATOM 48 O ILE A 5 -4.267 -4.368 0.556 1.00 0.00 O ATOM 49 CB ILE A 5 -6.513 -3.189 -0.957 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.670 -2.228 -1.231 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.662 -4.429 -1.835 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.136 -0.980 -1.933 1.00 0.00 C ATOM 53 H ILE A 5 -5.316 -2.017 1.317 1.00 0.00 H ATOM 54 HA ILE A 5 -7.496 -3.991 0.782 1.00 0.00 H ATOM 55 HB ILE A 5 -5.576 -2.700 -1.183 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.400 -2.714 -1.862 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.133 -1.945 -0.297 1.00 0.00 H ATOM 58 HG21 ILE A 5 -6.413 -4.178 -2.856 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.683 -4.781 -1.790 1.00 0.00 H ATOM 60 HG23 ILE A 5 -5.998 -5.203 -1.481 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.982 -1.195 -2.981 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.199 -0.687 -1.484 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.851 -0.177 -1.832 1.00 0.00 H ATOM 64 N PRO A 6 -5.832 -5.765 1.288 1.00 0.00 N ATOM 65 CA PRO A 6 -4.859 -6.836 1.601 1.00 0.00 C ATOM 66 C PRO A 6 -4.310 -7.443 0.309 1.00 0.00 C ATOM 67 O PRO A 6 -3.154 -7.803 0.221 1.00 0.00 O ATOM 68 CB PRO A 6 -5.683 -7.852 2.386 1.00 0.00 C ATOM 69 CG PRO A 6 -7.095 -7.620 1.950 1.00 0.00 C ATOM 70 CD PRO A 6 -7.211 -6.160 1.597 1.00 0.00 C ATOM 71 HA PRO A 6 -4.059 -6.453 2.211 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.371 -8.859 2.140 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.590 -7.676 3.446 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.319 -8.232 1.087 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.775 -7.855 2.756 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.850 -6.029 0.734 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.580 -5.593 2.437 1.00 0.00 H ATOM 78 N ALA A 7 -5.130 -7.549 -0.698 1.00 0.00 N ATOM 79 CA ALA A 7 -4.656 -8.121 -1.983 1.00 0.00 C ATOM 80 C ALA A 7 -3.402 -7.378 -2.437 1.00 0.00 C ATOM 81 O ALA A 7 -2.563 -7.912 -3.133 1.00 0.00 O ATOM 82 CB ALA A 7 -5.800 -7.897 -2.970 1.00 0.00 C ATOM 83 H ALA A 7 -6.052 -7.247 -0.610 1.00 0.00 H ATOM 84 HA ALA A 7 -4.458 -9.172 -1.874 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.790 -8.680 -3.715 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.675 -6.940 -3.453 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.740 -7.915 -2.441 1.00 0.00 H ATOM 88 N CYS A 8 -3.269 -6.144 -2.037 1.00 0.00 N ATOM 89 CA CYS A 8 -2.068 -5.357 -2.430 1.00 0.00 C ATOM 90 C CYS A 8 -1.111 -5.249 -1.246 1.00 0.00 C ATOM 91 O CYS A 8 0.091 -5.258 -1.405 1.00 0.00 O ATOM 92 CB CYS A 8 -2.599 -3.978 -2.825 1.00 0.00 C ATOM 93 SG CYS A 8 -1.254 -2.998 -3.537 1.00 0.00 S ATOM 94 H CYS A 8 -3.959 -5.737 -1.469 1.00 0.00 H ATOM 95 HA CYS A 8 -1.575 -5.822 -3.268 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.388 -4.092 -3.555 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.987 -3.478 -1.950 1.00 0.00 H ATOM 98 N ILE A 9 -1.631 -5.156 -0.055 1.00 0.00 N ATOM 99 CA ILE A 9 -0.744 -5.064 1.126 1.00 0.00 C ATOM 100 C ILE A 9 -0.162 -6.451 1.424 1.00 0.00 C ATOM 101 O ILE A 9 1.009 -6.600 1.713 1.00 0.00 O ATOM 102 CB ILE A 9 -1.637 -4.531 2.263 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.918 -3.377 2.961 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.938 -5.624 3.296 1.00 0.00 C ATOM 105 CD1 ILE A 9 0.384 -3.890 3.579 1.00 0.00 C ATOM 106 H ILE A 9 -2.595 -5.153 0.059 1.00 0.00 H ATOM 107 HA ILE A 9 0.041 -4.369 0.925 1.00 0.00 H ATOM 108 HB ILE A 9 -2.564 -4.170 1.845 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.695 -2.603 2.240 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.550 -2.975 3.737 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.292 -6.509 2.792 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.695 -5.271 3.981 1.00 0.00 H ATOM 113 HG23 ILE A 9 -1.037 -5.856 3.845 1.00 0.00 H ATOM 114 HD11 ILE A 9 1.224 -3.516 3.014 1.00 0.00 H ATOM 115 HD12 ILE A 9 0.389 -4.970 3.562 1.00 0.00 H ATOM 116 HD13 ILE A 9 0.456 -3.547 4.601 1.00 0.00 H ATOM 117 N MET A 10 -0.977 -7.465 1.332 1.00 0.00 N ATOM 118 CA MET A 10 -0.492 -8.844 1.583 1.00 0.00 C ATOM 119 C MET A 10 0.310 -9.326 0.376 1.00 0.00 C ATOM 120 O MET A 10 1.274 -10.055 0.502 1.00 0.00 O ATOM 121 CB MET A 10 -1.753 -9.688 1.747 1.00 0.00 C ATOM 122 CG MET A 10 -1.645 -10.536 3.015 1.00 0.00 C ATOM 123 SD MET A 10 -1.298 -12.255 2.563 1.00 0.00 S ATOM 124 CE MET A 10 0.496 -12.088 2.397 1.00 0.00 C ATOM 125 H MET A 10 -1.905 -7.320 1.088 1.00 0.00 H ATOM 126 HA MET A 10 0.096 -8.875 2.475 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.612 -9.039 1.819 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.863 -10.337 0.890 1.00 0.00 H ATOM 129 HG2 MET A 10 -0.844 -10.159 3.635 1.00 0.00 H ATOM 130 HG3 MET A 10 -2.575 -10.489 3.561 1.00 0.00 H ATOM 131 HE1 MET A 10 0.779 -11.060 2.574 1.00 0.00 H ATOM 132 HE2 MET A 10 0.793 -12.383 1.399 1.00 0.00 H ATOM 133 HE3 MET A 10 0.986 -12.723 3.117 1.00 0.00 H ATOM 134 N ASN A 11 -0.090 -8.916 -0.796 1.00 0.00 N ATOM 135 CA ASN A 11 0.634 -9.336 -2.025 1.00 0.00 C ATOM 136 C ASN A 11 1.737 -8.328 -2.347 1.00 0.00 C ATOM 137 O ASN A 11 2.761 -8.667 -2.908 1.00 0.00 O ATOM 138 CB ASN A 11 -0.429 -9.341 -3.124 1.00 0.00 C ATOM 139 CG ASN A 11 -0.017 -10.320 -4.220 1.00 0.00 C ATOM 140 OD1 ASN A 11 -0.847 -10.800 -4.968 1.00 0.00 O ATOM 141 ND2 ASN A 11 1.239 -10.638 -4.350 1.00 0.00 N ATOM 142 H ASN A 11 -0.869 -8.326 -0.867 1.00 0.00 H ATOM 143 HA ASN A 11 1.047 -10.324 -1.903 1.00 0.00 H ATOM 144 HB2 ASN A 11 -1.377 -9.646 -2.705 1.00 0.00 H ATOM 145 HB3 ASN A 11 -0.520 -8.351 -3.543 1.00 0.00 H ATOM 146 HD21 ASN A 11 1.907 -10.248 -3.746 1.00 0.00 H ATOM 147 HD22 ASN A 11 1.517 -11.264 -5.047 1.00 0.00 H ATOM 148 N ASN A 12 1.534 -7.090 -1.993 1.00 0.00 N ATOM 149 CA ASN A 12 2.568 -6.054 -2.273 1.00 0.00 C ATOM 150 C ASN A 12 2.811 -5.207 -1.020 1.00 0.00 C ATOM 151 O ASN A 12 2.492 -4.035 -0.992 1.00 0.00 O ATOM 152 CB ASN A 12 1.986 -5.194 -3.398 1.00 0.00 C ATOM 153 CG ASN A 12 1.323 -6.093 -4.445 1.00 0.00 C ATOM 154 OD1 ASN A 12 0.276 -5.766 -4.967 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.894 -7.218 -4.775 1.00 0.00 N ATOM 156 H ASN A 12 0.700 -6.841 -1.539 1.00 0.00 H ATOM 157 HA ASN A 12 3.486 -6.516 -2.599 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.252 -4.515 -2.988 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.778 -4.627 -3.863 1.00 0.00 H ATOM 160 HD21 ASN A 12 2.738 -7.482 -4.353 1.00 0.00 H ATOM 161 HD22 ASN A 12 1.477 -7.801 -5.444 1.00 0.00 H ATOM 162 N PRO A 13 3.367 -5.837 -0.022 1.00 0.00 N ATOM 163 CA PRO A 13 3.656 -5.139 1.253 1.00 0.00 C ATOM 164 C PRO A 13 4.808 -4.149 1.070 1.00 0.00 C ATOM 165 O PRO A 13 5.106 -3.359 1.944 1.00 0.00 O ATOM 166 CB PRO A 13 4.050 -6.270 2.200 1.00 0.00 C ATOM 167 CG PRO A 13 4.539 -7.367 1.307 1.00 0.00 C ATOM 168 CD PRO A 13 3.779 -7.245 0.012 1.00 0.00 C ATOM 169 HA PRO A 13 2.776 -4.638 1.623 1.00 0.00 H ATOM 170 HB2 PRO A 13 4.838 -5.944 2.867 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.194 -6.606 2.763 1.00 0.00 H ATOM 172 HG2 PRO A 13 5.600 -7.251 1.130 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.339 -8.325 1.758 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.422 -7.477 -0.826 1.00 0.00 H ATOM 175 HD3 PRO A 13 2.911 -7.886 0.019 1.00 0.00 H ATOM 176 N ASP A 14 5.456 -4.180 -0.063 1.00 0.00 N ATOM 177 CA ASP A 14 6.580 -3.240 -0.301 1.00 0.00 C ATOM 178 C ASP A 14 6.115 -1.809 -0.041 1.00 0.00 C ATOM 179 O ASP A 14 6.906 -0.917 0.196 1.00 0.00 O ATOM 180 CB ASP A 14 6.951 -3.428 -1.771 1.00 0.00 C ATOM 181 CG ASP A 14 8.024 -2.409 -2.162 1.00 0.00 C ATOM 182 OD1 ASP A 14 9.133 -2.529 -1.671 1.00 0.00 O ATOM 183 OD2 ASP A 14 7.715 -1.525 -2.945 1.00 0.00 O ATOM 184 H ASP A 14 5.201 -4.818 -0.755 1.00 0.00 H ATOM 185 HA ASP A 14 7.415 -3.490 0.327 1.00 0.00 H ATOM 186 HB2 ASP A 14 7.331 -4.429 -1.922 1.00 0.00 H ATOM 187 HB3 ASP A 14 6.076 -3.280 -2.386 1.00 0.00 H ATOM 188 N TYR A 15 4.831 -1.586 -0.083 1.00 0.00 N ATOM 189 CA TYR A 15 4.301 -0.214 0.163 1.00 0.00 C ATOM 190 C TYR A 15 3.835 -0.084 1.614 1.00 0.00 C ATOM 191 O TYR A 15 4.076 0.910 2.269 1.00 0.00 O ATOM 192 CB TYR A 15 3.121 -0.062 -0.797 1.00 0.00 C ATOM 193 CG TYR A 15 2.350 1.188 -0.449 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.875 2.446 -0.768 1.00 0.00 C ATOM 195 CD2 TYR A 15 1.112 1.088 0.196 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.161 3.605 -0.443 1.00 0.00 C ATOM 197 CE2 TYR A 15 0.398 2.248 0.522 1.00 0.00 C ATOM 198 CZ TYR A 15 0.922 3.506 0.202 1.00 0.00 C ATOM 199 OH TYR A 15 0.219 4.650 0.522 1.00 0.00 O ATOM 200 H TYR A 15 4.213 -2.324 -0.275 1.00 0.00 H ATOM 201 HA TYR A 15 5.052 0.523 -0.057 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.489 0.011 -1.811 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.473 -0.921 -0.709 1.00 0.00 H ATOM 204 HD1 TYR A 15 3.830 2.521 -1.266 1.00 0.00 H ATOM 205 HD2 TYR A 15 0.706 0.118 0.442 1.00 0.00 H ATOM 206 HE1 TYR A 15 2.567 4.575 -0.689 1.00 0.00 H ATOM 207 HE2 TYR A 15 -0.558 2.172 1.019 1.00 0.00 H ATOM 208 HH TYR A 15 0.104 5.162 -0.282 1.00 0.00 H ATOM 209 N CYS A 16 3.171 -1.085 2.120 1.00 0.00 N ATOM 210 CA CYS A 16 2.691 -1.026 3.530 1.00 0.00 C ATOM 211 C CYS A 16 3.303 -2.170 4.342 1.00 0.00 C ATOM 212 O CYS A 16 2.629 -2.807 5.128 1.00 0.00 O ATOM 213 CB CYS A 16 1.174 -1.182 3.441 1.00 0.00 C ATOM 214 SG CYS A 16 0.405 0.455 3.385 1.00 0.00 S ATOM 215 H CYS A 16 2.990 -1.877 1.572 1.00 0.00 H ATOM 216 HA CYS A 16 2.938 -0.075 3.973 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.919 -1.730 2.545 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.814 -1.719 4.306 1.00 0.00 H HETATM 219 N NH2 A 17 4.566 -2.460 4.184 1.00 0.00 N HETATM 220 HN1 NH2 A 17 5.111 -1.947 3.552 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.969 -3.190 4.698 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 9 ATOM 1 N GLY A 1 -4.610 3.133 -3.512 1.00 0.00 N ATOM 2 CA GLY A 1 -3.514 2.697 -2.600 1.00 0.00 C ATOM 3 C GLY A 1 -3.544 1.174 -2.456 1.00 0.00 C ATOM 4 O GLY A 1 -3.952 0.464 -3.353 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.481 3.277 -2.962 1.00 0.00 H ATOM 6 H2 GLY A 1 -4.771 2.400 -4.234 1.00 0.00 H ATOM 7 H3 GLY A 1 -4.343 4.024 -3.974 1.00 0.00 H ATOM 8 HA2 GLY A 1 -2.562 3.004 -3.012 1.00 0.00 H ATOM 9 HA3 GLY A 1 -3.649 3.150 -1.631 1.00 0.00 H ATOM 10 N CYS A 2 -3.112 0.665 -1.334 1.00 0.00 N ATOM 11 CA CYS A 2 -3.116 -0.815 -1.138 1.00 0.00 C ATOM 12 C CYS A 2 -3.297 -1.168 0.343 1.00 0.00 C ATOM 13 O CYS A 2 -3.885 -2.177 0.679 1.00 0.00 O ATOM 14 CB CYS A 2 -1.751 -1.286 -1.638 1.00 0.00 C ATOM 15 SG CYS A 2 -1.815 -1.509 -3.434 1.00 0.00 S ATOM 16 H CYS A 2 -2.785 1.254 -0.625 1.00 0.00 H ATOM 17 HA CYS A 2 -3.896 -1.267 -1.727 1.00 0.00 H ATOM 18 HB2 CYS A 2 -1.003 -0.546 -1.394 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.499 -2.225 -1.169 1.00 0.00 H ATOM 20 N CYS A 3 -2.803 -0.350 1.229 1.00 0.00 N ATOM 21 CA CYS A 3 -2.952 -0.645 2.679 1.00 0.00 C ATOM 22 C CYS A 3 -4.415 -0.943 2.990 1.00 0.00 C ATOM 23 O CYS A 3 -4.735 -1.653 3.922 1.00 0.00 O ATOM 24 CB CYS A 3 -2.492 0.625 3.396 1.00 0.00 C ATOM 25 SG CYS A 3 -0.688 0.752 3.300 1.00 0.00 S ATOM 26 H CYS A 3 -2.336 0.450 0.946 1.00 0.00 H ATOM 27 HA CYS A 3 -2.330 -1.474 2.957 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.939 1.488 2.925 1.00 0.00 H ATOM 29 HB3 CYS A 3 -2.795 0.583 4.432 1.00 0.00 H ATOM 30 N GLU A 4 -5.306 -0.416 2.200 1.00 0.00 N ATOM 31 CA GLU A 4 -6.754 -0.680 2.431 1.00 0.00 C ATOM 32 C GLU A 4 -7.159 -1.966 1.707 1.00 0.00 C ATOM 33 O GLU A 4 -8.322 -2.313 1.634 1.00 0.00 O ATOM 34 CB GLU A 4 -7.481 0.526 1.837 1.00 0.00 C ATOM 35 CG GLU A 4 -7.744 1.559 2.935 1.00 0.00 C ATOM 36 CD GLU A 4 -6.605 2.579 2.962 1.00 0.00 C ATOM 37 OE1 GLU A 4 -6.377 3.211 1.943 1.00 0.00 O ATOM 38 OE2 GLU A 4 -5.981 2.715 4.001 1.00 0.00 O ATOM 39 H GLU A 4 -5.019 0.142 1.444 1.00 0.00 H ATOM 40 HA GLU A 4 -6.961 -0.756 3.486 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.870 0.969 1.064 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.421 0.207 1.413 1.00 0.00 H ATOM 43 HG2 GLU A 4 -8.678 2.064 2.738 1.00 0.00 H ATOM 44 HG3 GLU A 4 -7.799 1.060 3.892 1.00 0.00 H ATOM 45 N ILE A 5 -6.199 -2.670 1.171 1.00 0.00 N ATOM 46 CA ILE A 5 -6.499 -3.934 0.444 1.00 0.00 C ATOM 47 C ILE A 5 -5.400 -4.959 0.738 1.00 0.00 C ATOM 48 O ILE A 5 -4.241 -4.716 0.466 1.00 0.00 O ATOM 49 CB ILE A 5 -6.486 -3.540 -1.034 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.644 -2.581 -1.320 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.635 -4.785 -1.904 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.083 -1.205 -1.675 1.00 0.00 C ATOM 53 H ILE A 5 -5.269 -2.367 1.246 1.00 0.00 H ATOM 54 HA ILE A 5 -7.468 -4.317 0.722 1.00 0.00 H ATOM 55 HB ILE A 5 -5.550 -3.052 -1.266 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.228 -2.956 -2.148 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.270 -2.498 -0.445 1.00 0.00 H ATOM 58 HG21 ILE A 5 -7.579 -4.747 -2.428 1.00 0.00 H ATOM 59 HG22 ILE A 5 -6.604 -5.665 -1.280 1.00 0.00 H ATOM 60 HG23 ILE A 5 -5.827 -4.821 -2.620 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.938 -0.633 -0.772 1.00 0.00 H ATOM 62 HD12 ILE A 5 -7.777 -0.692 -2.322 1.00 0.00 H ATOM 63 HD13 ILE A 5 -6.137 -1.325 -2.183 1.00 0.00 H ATOM 64 N PRO A 6 -5.795 -6.069 1.298 1.00 0.00 N ATOM 65 CA PRO A 6 -4.820 -7.133 1.643 1.00 0.00 C ATOM 66 C PRO A 6 -4.270 -7.793 0.379 1.00 0.00 C ATOM 67 O PRO A 6 -3.122 -8.189 0.324 1.00 0.00 O ATOM 68 CB PRO A 6 -5.643 -8.120 2.467 1.00 0.00 C ATOM 69 CG PRO A 6 -7.056 -7.897 2.031 1.00 0.00 C ATOM 70 CD PRO A 6 -7.168 -6.442 1.653 1.00 0.00 C ATOM 71 HA PRO A 6 -4.019 -6.731 2.240 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.335 -9.135 2.253 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.544 -7.909 3.520 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.281 -8.523 1.177 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.734 -8.116 2.840 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.830 -6.321 0.807 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.508 -5.856 2.492 1.00 0.00 H ATOM 78 N ALA A 7 -5.071 -7.911 -0.638 1.00 0.00 N ATOM 79 CA ALA A 7 -4.583 -8.539 -1.891 1.00 0.00 C ATOM 80 C ALA A 7 -3.330 -7.818 -2.370 1.00 0.00 C ATOM 81 O ALA A 7 -2.431 -8.410 -2.930 1.00 0.00 O ATOM 82 CB ALA A 7 -5.710 -8.359 -2.901 1.00 0.00 C ATOM 83 H ALA A 7 -5.986 -7.584 -0.581 1.00 0.00 H ATOM 84 HA ALA A 7 -4.388 -9.583 -1.735 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.924 -7.307 -3.013 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.591 -8.873 -2.551 1.00 0.00 H ATOM 87 HB3 ALA A 7 -5.406 -8.767 -3.854 1.00 0.00 H ATOM 88 N CYS A 8 -3.267 -6.537 -2.149 1.00 0.00 N ATOM 89 CA CYS A 8 -2.073 -5.769 -2.587 1.00 0.00 C ATOM 90 C CYS A 8 -1.094 -5.633 -1.427 1.00 0.00 C ATOM 91 O CYS A 8 0.102 -5.673 -1.605 1.00 0.00 O ATOM 92 CB CYS A 8 -2.602 -4.401 -3.016 1.00 0.00 C ATOM 93 SG CYS A 8 -1.247 -3.426 -3.717 1.00 0.00 S ATOM 94 H CYS A 8 -4.007 -6.083 -1.693 1.00 0.00 H ATOM 95 HA CYS A 8 -1.598 -6.262 -3.418 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.375 -4.532 -3.759 1.00 0.00 H ATOM 97 HB3 CYS A 8 -3.009 -3.887 -2.159 1.00 0.00 H ATOM 98 N ILE A 9 -1.585 -5.478 -0.234 1.00 0.00 N ATOM 99 CA ILE A 9 -0.665 -5.353 0.913 1.00 0.00 C ATOM 100 C ILE A 9 -0.079 -6.729 1.246 1.00 0.00 C ATOM 101 O ILE A 9 1.074 -6.855 1.609 1.00 0.00 O ATOM 102 CB ILE A 9 -1.516 -4.767 2.051 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.862 -3.471 2.520 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.630 -5.741 3.231 1.00 0.00 C ATOM 105 CD1 ILE A 9 -0.815 -2.490 1.347 1.00 0.00 C ATOM 106 H ILE A 9 -2.547 -5.449 -0.098 1.00 0.00 H ATOM 107 HA ILE A 9 0.117 -4.670 0.662 1.00 0.00 H ATOM 108 HB ILE A 9 -2.500 -4.543 1.673 1.00 0.00 H ATOM 109 HG12 ILE A 9 -1.438 -3.047 3.330 1.00 0.00 H ATOM 110 HG13 ILE A 9 0.143 -3.674 2.857 1.00 0.00 H ATOM 111 HG21 ILE A 9 -1.951 -6.708 2.870 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.351 -5.364 3.941 1.00 0.00 H ATOM 113 HG23 ILE A 9 -0.668 -5.839 3.712 1.00 0.00 H ATOM 114 HD11 ILE A 9 -0.965 -1.485 1.708 1.00 0.00 H ATOM 115 HD12 ILE A 9 -1.592 -2.740 0.639 1.00 0.00 H ATOM 116 HD13 ILE A 9 0.147 -2.557 0.860 1.00 0.00 H ATOM 117 N MET A 10 -0.863 -7.761 1.104 1.00 0.00 N ATOM 118 CA MET A 10 -0.360 -9.125 1.387 1.00 0.00 C ATOM 119 C MET A 10 0.638 -9.539 0.304 1.00 0.00 C ATOM 120 O MET A 10 1.663 -10.130 0.579 1.00 0.00 O ATOM 121 CB MET A 10 -1.597 -10.020 1.348 1.00 0.00 C ATOM 122 CG MET A 10 -1.317 -11.315 2.113 1.00 0.00 C ATOM 123 SD MET A 10 -2.414 -11.419 3.549 1.00 0.00 S ATOM 124 CE MET A 10 -1.276 -10.699 4.758 1.00 0.00 C ATOM 125 H MET A 10 -1.780 -7.637 0.803 1.00 0.00 H ATOM 126 HA MET A 10 0.091 -9.159 2.355 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.427 -9.502 1.805 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.838 -10.254 0.322 1.00 0.00 H ATOM 129 HG2 MET A 10 -1.493 -12.161 1.464 1.00 0.00 H ATOM 130 HG3 MET A 10 -0.288 -11.323 2.444 1.00 0.00 H ATOM 131 HE1 MET A 10 -0.898 -11.479 5.405 1.00 0.00 H ATOM 132 HE2 MET A 10 -1.800 -9.958 5.347 1.00 0.00 H ATOM 133 HE3 MET A 10 -0.452 -10.230 4.244 1.00 0.00 H ATOM 134 N ASN A 11 0.343 -9.223 -0.927 1.00 0.00 N ATOM 135 CA ASN A 11 1.271 -9.584 -2.035 1.00 0.00 C ATOM 136 C ASN A 11 2.284 -8.452 -2.233 1.00 0.00 C ATOM 137 O ASN A 11 3.442 -8.684 -2.520 1.00 0.00 O ATOM 138 CB ASN A 11 0.357 -9.782 -3.261 1.00 0.00 C ATOM 139 CG ASN A 11 0.850 -8.966 -4.464 1.00 0.00 C ATOM 140 OD1 ASN A 11 2.010 -9.027 -4.821 1.00 0.00 O ATOM 141 ND2 ASN A 11 0.009 -8.202 -5.107 1.00 0.00 N ATOM 142 H ASN A 11 -0.487 -8.739 -1.121 1.00 0.00 H ATOM 143 HA ASN A 11 1.782 -10.504 -1.805 1.00 0.00 H ATOM 144 HB2 ASN A 11 0.344 -10.828 -3.526 1.00 0.00 H ATOM 145 HB3 ASN A 11 -0.645 -9.471 -3.009 1.00 0.00 H ATOM 146 HD21 ASN A 11 -0.928 -8.154 -4.820 1.00 0.00 H ATOM 147 HD22 ASN A 11 0.313 -7.676 -5.877 1.00 0.00 H ATOM 148 N ASN A 12 1.856 -7.232 -2.072 1.00 0.00 N ATOM 149 CA ASN A 12 2.803 -6.087 -2.239 1.00 0.00 C ATOM 150 C ASN A 12 2.900 -5.288 -0.937 1.00 0.00 C ATOM 151 O ASN A 12 2.441 -4.165 -0.858 1.00 0.00 O ATOM 152 CB ASN A 12 2.217 -5.219 -3.357 1.00 0.00 C ATOM 153 CG ASN A 12 2.707 -5.734 -4.711 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.892 -5.910 -4.916 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.838 -5.983 -5.652 1.00 0.00 N ATOM 156 H ASN A 12 0.913 -7.068 -1.830 1.00 0.00 H ATOM 157 HA ASN A 12 3.777 -6.448 -2.529 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.141 -5.265 -3.324 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.539 -4.197 -3.225 1.00 0.00 H ATOM 160 HD21 ASN A 12 0.883 -5.839 -5.487 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.140 -6.315 -6.523 1.00 0.00 H ATOM 162 N PRO A 13 3.502 -5.903 0.044 1.00 0.00 N ATOM 163 CA PRO A 13 3.672 -5.251 1.366 1.00 0.00 C ATOM 164 C PRO A 13 4.714 -4.134 1.278 1.00 0.00 C ATOM 165 O PRO A 13 4.959 -3.422 2.232 1.00 0.00 O ATOM 166 CB PRO A 13 4.160 -6.386 2.263 1.00 0.00 C ATOM 167 CG PRO A 13 4.797 -7.368 1.333 1.00 0.00 C ATOM 168 CD PRO A 13 4.079 -7.251 0.014 1.00 0.00 C ATOM 169 HA PRO A 13 2.730 -4.870 1.728 1.00 0.00 H ATOM 170 HB2 PRO A 13 4.884 -6.015 2.977 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.329 -6.848 2.775 1.00 0.00 H ATOM 172 HG2 PRO A 13 5.845 -7.131 1.208 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.686 -8.369 1.719 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.778 -7.350 -0.806 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.296 -7.990 -0.061 1.00 0.00 H ATOM 176 N ASP A 14 5.327 -3.976 0.136 1.00 0.00 N ATOM 177 CA ASP A 14 6.349 -2.911 -0.019 1.00 0.00 C ATOM 178 C ASP A 14 5.748 -1.557 0.355 1.00 0.00 C ATOM 179 O ASP A 14 6.440 -0.653 0.781 1.00 0.00 O ATOM 180 CB ASP A 14 6.730 -2.935 -1.500 1.00 0.00 C ATOM 181 CG ASP A 14 8.159 -3.459 -1.654 1.00 0.00 C ATOM 182 OD1 ASP A 14 8.526 -4.353 -0.910 1.00 0.00 O ATOM 183 OD2 ASP A 14 8.862 -2.956 -2.516 1.00 0.00 O ATOM 184 H ASP A 14 5.115 -4.558 -0.616 1.00 0.00 H ATOM 185 HA ASP A 14 7.209 -3.127 0.586 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.050 -3.580 -2.035 1.00 0.00 H ATOM 187 HB3 ASP A 14 6.671 -1.936 -1.902 1.00 0.00 H ATOM 188 N TYR A 15 4.462 -1.410 0.194 1.00 0.00 N ATOM 189 CA TYR A 15 3.814 -0.111 0.537 1.00 0.00 C ATOM 190 C TYR A 15 3.433 -0.078 2.019 1.00 0.00 C ATOM 191 O TYR A 15 3.644 0.903 2.703 1.00 0.00 O ATOM 192 CB TYR A 15 2.566 -0.041 -0.343 1.00 0.00 C ATOM 193 CG TYR A 15 2.252 1.404 -0.655 1.00 0.00 C ATOM 194 CD1 TYR A 15 3.186 2.192 -1.339 1.00 0.00 C ATOM 195 CD2 TYR A 15 1.028 1.957 -0.259 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.896 3.532 -1.626 1.00 0.00 C ATOM 197 CE2 TYR A 15 0.738 3.296 -0.547 1.00 0.00 C ATOM 198 CZ TYR A 15 1.672 4.084 -1.231 1.00 0.00 C ATOM 199 OH TYR A 15 1.387 5.404 -1.511 1.00 0.00 O ATOM 200 H TYR A 15 3.924 -2.155 -0.155 1.00 0.00 H ATOM 201 HA TYR A 15 4.472 0.707 0.304 1.00 0.00 H ATOM 202 HB2 TYR A 15 2.742 -0.579 -1.263 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.731 -0.484 0.181 1.00 0.00 H ATOM 204 HD1 TYR A 15 4.131 1.767 -1.644 1.00 0.00 H ATOM 205 HD2 TYR A 15 0.307 1.349 0.268 1.00 0.00 H ATOM 206 HE1 TYR A 15 3.616 4.139 -2.153 1.00 0.00 H ATOM 207 HE2 TYR A 15 -0.207 3.722 -0.241 1.00 0.00 H ATOM 208 HH TYR A 15 1.717 5.939 -0.787 1.00 0.00 H ATOM 209 N CYS A 16 2.871 -1.142 2.517 1.00 0.00 N ATOM 210 CA CYS A 16 2.471 -1.173 3.955 1.00 0.00 C ATOM 211 C CYS A 16 3.363 -2.146 4.732 1.00 0.00 C ATOM 212 O CYS A 16 3.392 -3.327 4.448 1.00 0.00 O ATOM 213 CB CYS A 16 1.022 -1.656 3.951 1.00 0.00 C ATOM 214 SG CYS A 16 -0.024 -0.440 4.790 1.00 0.00 S ATOM 215 H CYS A 16 2.709 -1.920 1.945 1.00 0.00 H ATOM 216 HA CYS A 16 2.528 -0.186 4.384 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.689 -1.773 2.933 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.954 -2.604 4.463 1.00 0.00 H HETATM 219 N NH2 A 17 4.095 -1.693 5.713 1.00 0.00 N HETATM 220 HN1 NH2 A 17 4.071 -0.741 5.943 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.669 -2.306 6.219 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 10 ATOM 1 N GLY A 1 -4.178 3.880 1.012 1.00 0.00 N ATOM 2 CA GLY A 1 -4.210 3.451 -0.415 1.00 0.00 C ATOM 3 C GLY A 1 -4.228 1.924 -0.488 1.00 0.00 C ATOM 4 O GLY A 1 -5.272 1.312 -0.603 1.00 0.00 O ATOM 5 H1 GLY A 1 -3.206 3.813 1.373 1.00 0.00 H ATOM 6 H2 GLY A 1 -4.801 3.263 1.572 1.00 0.00 H ATOM 7 H3 GLY A 1 -4.505 4.864 1.086 1.00 0.00 H ATOM 8 HA2 GLY A 1 -5.095 3.848 -0.891 1.00 0.00 H ATOM 9 HA3 GLY A 1 -3.331 3.821 -0.922 1.00 0.00 H ATOM 10 N CYS A 2 -3.082 1.303 -0.423 1.00 0.00 N ATOM 11 CA CYS A 2 -3.038 -0.186 -0.490 1.00 0.00 C ATOM 12 C CYS A 2 -3.266 -0.786 0.901 1.00 0.00 C ATOM 13 O CYS A 2 -3.827 -1.853 1.040 1.00 0.00 O ATOM 14 CB CYS A 2 -1.635 -0.522 -0.996 1.00 0.00 C ATOM 15 SG CYS A 2 -1.665 -0.677 -2.799 1.00 0.00 S ATOM 16 H CYS A 2 -2.252 1.815 -0.331 1.00 0.00 H ATOM 17 HA CYS A 2 -3.776 -0.553 -1.182 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.951 0.265 -0.713 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.309 -1.455 -0.560 1.00 0.00 H ATOM 20 N CYS A 3 -2.837 -0.106 1.928 1.00 0.00 N ATOM 21 CA CYS A 3 -3.032 -0.635 3.303 1.00 0.00 C ATOM 22 C CYS A 3 -4.502 -0.997 3.502 1.00 0.00 C ATOM 23 O CYS A 3 -4.843 -1.857 4.289 1.00 0.00 O ATOM 24 CB CYS A 3 -2.619 0.504 4.235 1.00 0.00 C ATOM 25 SG CYS A 3 -0.825 0.462 4.472 1.00 0.00 S ATOM 26 H CYS A 3 -2.391 0.747 1.796 1.00 0.00 H ATOM 27 HA CYS A 3 -2.405 -1.492 3.464 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.903 1.450 3.798 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.111 0.386 5.190 1.00 0.00 H ATOM 30 N GLU A 4 -5.372 -0.358 2.770 1.00 0.00 N ATOM 31 CA GLU A 4 -6.823 -0.674 2.890 1.00 0.00 C ATOM 32 C GLU A 4 -7.157 -1.857 1.979 1.00 0.00 C ATOM 33 O GLU A 4 -8.299 -2.242 1.830 1.00 0.00 O ATOM 34 CB GLU A 4 -7.547 0.589 2.425 1.00 0.00 C ATOM 35 CG GLU A 4 -8.738 0.863 3.343 1.00 0.00 C ATOM 36 CD GLU A 4 -9.973 0.131 2.814 1.00 0.00 C ATOM 37 OE1 GLU A 4 -10.000 -0.165 1.631 1.00 0.00 O ATOM 38 OE2 GLU A 4 -10.871 -0.120 3.600 1.00 0.00 O ATOM 39 H GLU A 4 -5.067 0.318 2.128 1.00 0.00 H ATOM 40 HA GLU A 4 -7.080 -0.896 3.914 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.865 1.427 2.457 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.899 0.449 1.414 1.00 0.00 H ATOM 43 HG2 GLU A 4 -8.512 0.514 4.341 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.936 1.924 3.370 1.00 0.00 H ATOM 45 N ILE A 5 -6.156 -2.432 1.370 1.00 0.00 N ATOM 46 CA ILE A 5 -6.382 -3.588 0.466 1.00 0.00 C ATOM 47 C ILE A 5 -5.298 -4.636 0.712 1.00 0.00 C ATOM 48 O ILE A 5 -4.123 -4.345 0.608 1.00 0.00 O ATOM 49 CB ILE A 5 -6.257 -3.009 -0.943 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.407 -2.031 -1.196 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.313 -4.138 -1.971 1.00 0.00 C ATOM 52 CD1 ILE A 5 -6.840 -0.691 -1.670 1.00 0.00 C ATOM 53 H ILE A 5 -5.244 -2.103 1.510 1.00 0.00 H ATOM 54 HA ILE A 5 -7.364 -4.006 0.614 1.00 0.00 H ATOM 55 HB ILE A 5 -5.315 -2.490 -1.035 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.062 -2.434 -1.955 1.00 0.00 H ATOM 57 HG13 ILE A 5 -7.961 -1.883 -0.282 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.676 -4.949 -1.650 1.00 0.00 H ATOM 59 HG22 ILE A 5 -5.972 -3.769 -2.928 1.00 0.00 H ATOM 60 HG23 ILE A 5 -7.329 -4.492 -2.063 1.00 0.00 H ATOM 61 HD11 ILE A 5 -7.231 0.103 -1.051 1.00 0.00 H ATOM 62 HD12 ILE A 5 -7.126 -0.522 -2.697 1.00 0.00 H ATOM 63 HD13 ILE A 5 -5.762 -0.709 -1.594 1.00 0.00 H ATOM 64 N PRO A 6 -5.724 -5.822 1.038 1.00 0.00 N ATOM 65 CA PRO A 6 -4.763 -6.914 1.309 1.00 0.00 C ATOM 66 C PRO A 6 -4.101 -7.366 0.008 1.00 0.00 C ATOM 67 O PRO A 6 -2.915 -7.618 -0.044 1.00 0.00 O ATOM 68 CB PRO A 6 -5.633 -8.019 1.903 1.00 0.00 C ATOM 69 CG PRO A 6 -7.009 -7.748 1.380 1.00 0.00 C ATOM 70 CD PRO A 6 -7.117 -6.258 1.181 1.00 0.00 C ATOM 71 HA PRO A 6 -4.021 -6.597 2.023 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.284 -8.988 1.572 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.630 -7.964 2.980 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.152 -8.261 0.439 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.747 -8.075 2.096 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.682 -6.037 0.287 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.567 -5.791 2.043 1.00 0.00 H ATOM 78 N ALA A 7 -4.857 -7.459 -1.047 1.00 0.00 N ATOM 79 CA ALA A 7 -4.272 -7.883 -2.342 1.00 0.00 C ATOM 80 C ALA A 7 -3.023 -7.058 -2.626 1.00 0.00 C ATOM 81 O ALA A 7 -2.130 -7.477 -3.334 1.00 0.00 O ATOM 82 CB ALA A 7 -5.349 -7.592 -3.380 1.00 0.00 C ATOM 83 H ALA A 7 -5.804 -7.240 -0.987 1.00 0.00 H ATOM 84 HA ALA A 7 -4.042 -8.934 -2.326 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.096 -8.084 -4.307 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.409 -6.526 -3.543 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.298 -7.959 -3.024 1.00 0.00 H ATOM 88 N CYS A 8 -2.957 -5.883 -2.071 1.00 0.00 N ATOM 89 CA CYS A 8 -1.764 -5.023 -2.300 1.00 0.00 C ATOM 90 C CYS A 8 -0.871 -5.040 -1.064 1.00 0.00 C ATOM 91 O CYS A 8 0.338 -5.065 -1.160 1.00 0.00 O ATOM 92 CB CYS A 8 -2.318 -3.620 -2.548 1.00 0.00 C ATOM 93 SG CYS A 8 -0.990 -2.548 -3.151 1.00 0.00 S ATOM 94 H CYS A 8 -3.693 -5.568 -1.501 1.00 0.00 H ATOM 95 HA CYS A 8 -1.218 -5.365 -3.159 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.106 -3.668 -3.284 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.712 -3.220 -1.625 1.00 0.00 H ATOM 98 N ILE A 9 -1.454 -5.030 0.098 1.00 0.00 N ATOM 99 CA ILE A 9 -0.632 -5.051 1.329 1.00 0.00 C ATOM 100 C ILE A 9 -0.033 -6.448 1.523 1.00 0.00 C ATOM 101 O ILE A 9 1.118 -6.599 1.881 1.00 0.00 O ATOM 102 CB ILE A 9 -1.596 -4.652 2.462 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.941 -3.554 3.307 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.929 -5.856 3.355 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.698 -3.388 4.629 1.00 0.00 C ATOM 106 H ILE A 9 -2.423 -5.009 0.160 1.00 0.00 H ATOM 107 HA ILE A 9 0.146 -4.326 1.244 1.00 0.00 H ATOM 108 HB ILE A 9 -2.508 -4.272 2.028 1.00 0.00 H ATOM 109 HG12 ILE A 9 0.084 -3.823 3.512 1.00 0.00 H ATOM 110 HG13 ILE A 9 -0.966 -2.622 2.763 1.00 0.00 H ATOM 111 HG21 ILE A 9 -1.038 -6.173 3.876 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.297 -6.667 2.744 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.685 -5.573 4.073 1.00 0.00 H ATOM 114 HD11 ILE A 9 -1.708 -4.330 5.159 1.00 0.00 H ATOM 115 HD12 ILE A 9 -2.712 -3.077 4.427 1.00 0.00 H ATOM 116 HD13 ILE A 9 -1.206 -2.641 5.233 1.00 0.00 H ATOM 117 N MET A 10 -0.805 -7.468 1.278 1.00 0.00 N ATOM 118 CA MET A 10 -0.287 -8.847 1.433 1.00 0.00 C ATOM 119 C MET A 10 0.561 -9.218 0.216 1.00 0.00 C ATOM 120 O MET A 10 1.529 -9.946 0.317 1.00 0.00 O ATOM 121 CB MET A 10 -1.526 -9.737 1.519 1.00 0.00 C ATOM 122 CG MET A 10 -1.696 -10.243 2.952 1.00 0.00 C ATOM 123 SD MET A 10 -0.677 -11.719 3.196 1.00 0.00 S ATOM 124 CE MET A 10 -2.017 -12.839 3.668 1.00 0.00 C ATOM 125 H MET A 10 -1.722 -7.327 0.986 1.00 0.00 H ATOM 126 HA MET A 10 0.285 -8.924 2.333 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.397 -9.169 1.233 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.410 -10.578 0.853 1.00 0.00 H ATOM 129 HG2 MET A 10 -1.387 -9.474 3.645 1.00 0.00 H ATOM 130 HG3 MET A 10 -2.733 -10.489 3.126 1.00 0.00 H ATOM 131 HE1 MET A 10 -1.865 -13.799 3.196 1.00 0.00 H ATOM 132 HE2 MET A 10 -2.962 -12.420 3.352 1.00 0.00 H ATOM 133 HE3 MET A 10 -2.022 -12.964 4.738 1.00 0.00 H ATOM 134 N ASN A 11 0.207 -8.713 -0.934 1.00 0.00 N ATOM 135 CA ASN A 11 0.992 -9.024 -2.160 1.00 0.00 C ATOM 136 C ASN A 11 2.095 -7.984 -2.342 1.00 0.00 C ATOM 137 O ASN A 11 3.132 -8.254 -2.913 1.00 0.00 O ATOM 138 CB ASN A 11 -0.016 -8.942 -3.304 1.00 0.00 C ATOM 139 CG ASN A 11 0.378 -9.925 -4.407 1.00 0.00 C ATOM 140 OD1 ASN A 11 1.515 -9.955 -4.834 1.00 0.00 O ATOM 141 ND2 ASN A 11 -0.521 -10.737 -4.887 1.00 0.00 N ATOM 142 H ASN A 11 -0.574 -8.123 -0.994 1.00 0.00 H ATOM 143 HA ASN A 11 1.408 -10.017 -2.102 1.00 0.00 H ATOM 144 HB2 ASN A 11 -1.000 -9.192 -2.935 1.00 0.00 H ATOM 145 HB3 ASN A 11 -0.024 -7.940 -3.705 1.00 0.00 H ATOM 146 HD21 ASN A 11 -1.438 -10.711 -4.542 1.00 0.00 H ATOM 147 HD22 ASN A 11 -0.282 -11.371 -5.593 1.00 0.00 H ATOM 148 N ASN A 12 1.879 -6.793 -1.852 1.00 0.00 N ATOM 149 CA ASN A 12 2.920 -5.735 -1.991 1.00 0.00 C ATOM 150 C ASN A 12 3.179 -5.078 -0.635 1.00 0.00 C ATOM 151 O ASN A 12 2.666 -4.014 -0.350 1.00 0.00 O ATOM 152 CB ASN A 12 2.342 -4.719 -2.983 1.00 0.00 C ATOM 153 CG ASN A 12 1.645 -5.454 -4.131 1.00 0.00 C ATOM 154 OD1 ASN A 12 0.539 -5.112 -4.504 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.247 -6.456 -4.710 1.00 0.00 N ATOM 156 H ASN A 12 1.033 -6.597 -1.388 1.00 0.00 H ATOM 157 HA ASN A 12 3.832 -6.155 -2.386 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.630 -4.086 -2.474 1.00 0.00 H ATOM 159 HB3 ASN A 12 3.141 -4.112 -3.380 1.00 0.00 H ATOM 160 HD21 ASN A 12 3.138 -6.732 -4.410 1.00 0.00 H ATOM 161 HD22 ASN A 12 1.810 -6.932 -5.446 1.00 0.00 H ATOM 162 N PRO A 13 3.971 -5.743 0.160 1.00 0.00 N ATOM 163 CA PRO A 13 4.307 -5.224 1.508 1.00 0.00 C ATOM 164 C PRO A 13 5.225 -4.005 1.392 1.00 0.00 C ATOM 165 O PRO A 13 5.195 -3.113 2.217 1.00 0.00 O ATOM 166 CB PRO A 13 5.024 -6.395 2.175 1.00 0.00 C ATOM 167 CG PRO A 13 5.568 -7.208 1.045 1.00 0.00 C ATOM 168 CD PRO A 13 4.626 -7.027 -0.117 1.00 0.00 C ATOM 169 HA PRO A 13 3.413 -4.977 2.054 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.827 -6.035 2.803 1.00 0.00 H ATOM 171 HB3 PRO A 13 4.328 -6.984 2.751 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.556 -6.858 0.780 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.605 -8.250 1.322 1.00 0.00 H ATOM 174 HD2 PRO A 13 5.177 -6.983 -1.048 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.895 -7.820 -0.143 1.00 0.00 H ATOM 176 N ASP A 14 6.031 -3.953 0.369 1.00 0.00 N ATOM 177 CA ASP A 14 6.937 -2.790 0.198 1.00 0.00 C ATOM 178 C ASP A 14 6.117 -1.499 0.206 1.00 0.00 C ATOM 179 O ASP A 14 6.572 -0.461 0.645 1.00 0.00 O ATOM 180 CB ASP A 14 7.606 -2.999 -1.160 1.00 0.00 C ATOM 181 CG ASP A 14 9.125 -3.040 -0.980 1.00 0.00 C ATOM 182 OD1 ASP A 14 9.603 -2.447 -0.027 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.783 -3.663 -1.796 1.00 0.00 O ATOM 184 H ASP A 14 6.036 -4.675 -0.287 1.00 0.00 H ATOM 185 HA ASP A 14 7.676 -2.777 0.975 1.00 0.00 H ATOM 186 HB2 ASP A 14 7.267 -3.932 -1.587 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.345 -2.186 -1.819 1.00 0.00 H ATOM 188 N TYR A 15 4.905 -1.566 -0.272 1.00 0.00 N ATOM 189 CA TYR A 15 4.039 -0.354 -0.291 1.00 0.00 C ATOM 190 C TYR A 15 3.504 -0.075 1.115 1.00 0.00 C ATOM 191 O TYR A 15 3.534 1.042 1.594 1.00 0.00 O ATOM 192 CB TYR A 15 2.894 -0.704 -1.242 1.00 0.00 C ATOM 193 CG TYR A 15 2.349 0.559 -1.866 1.00 0.00 C ATOM 194 CD1 TYR A 15 1.804 1.561 -1.056 1.00 0.00 C ATOM 195 CD2 TYR A 15 2.389 0.726 -3.255 1.00 0.00 C ATOM 196 CE1 TYR A 15 1.298 2.731 -1.636 1.00 0.00 C ATOM 197 CE2 TYR A 15 1.884 1.895 -3.835 1.00 0.00 C ATOM 198 CZ TYR A 15 1.338 2.898 -3.026 1.00 0.00 C ATOM 199 OH TYR A 15 0.839 4.050 -3.597 1.00 0.00 O ATOM 200 H TYR A 15 4.562 -2.419 -0.613 1.00 0.00 H ATOM 201 HA TYR A 15 4.584 0.496 -0.663 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.260 -1.359 -2.019 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.108 -1.200 -0.692 1.00 0.00 H ATOM 204 HD1 TYR A 15 1.772 1.432 0.016 1.00 0.00 H ATOM 205 HD2 TYR A 15 2.811 -0.049 -3.880 1.00 0.00 H ATOM 206 HE1 TYR A 15 0.877 3.506 -1.011 1.00 0.00 H ATOM 207 HE2 TYR A 15 1.914 2.022 -4.907 1.00 0.00 H ATOM 208 HH TYR A 15 -0.086 3.903 -3.804 1.00 0.00 H ATOM 209 N CYS A 16 3.018 -1.086 1.777 1.00 0.00 N ATOM 210 CA CYS A 16 2.482 -0.892 3.155 1.00 0.00 C ATOM 211 C CYS A 16 3.344 -1.651 4.166 1.00 0.00 C ATOM 212 O CYS A 16 4.174 -1.071 4.839 1.00 0.00 O ATOM 213 CB CYS A 16 1.068 -1.471 3.114 1.00 0.00 C ATOM 214 SG CYS A 16 -0.106 -0.160 2.689 1.00 0.00 S ATOM 215 H CYS A 16 3.008 -1.975 1.367 1.00 0.00 H ATOM 216 HA CYS A 16 2.445 0.157 3.401 1.00 0.00 H ATOM 217 HB2 CYS A 16 1.019 -2.254 2.369 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.816 -1.880 4.082 1.00 0.00 H HETATM 219 N NH2 A 17 3.183 -2.938 4.303 1.00 0.00 N HETATM 220 HN1 NH2 A 17 2.514 -3.408 3.761 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.730 -3.436 4.945 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 11 ATOM 1 N GLY A 1 -2.752 3.174 -2.834 1.00 0.00 N ATOM 2 CA GLY A 1 -3.853 2.816 -1.896 1.00 0.00 C ATOM 3 C GLY A 1 -3.915 1.296 -1.736 1.00 0.00 C ATOM 4 O GLY A 1 -4.853 0.655 -2.166 1.00 0.00 O ATOM 5 H1 GLY A 1 -3.027 4.008 -3.391 1.00 0.00 H ATOM 6 H2 GLY A 1 -2.568 2.374 -3.474 1.00 0.00 H ATOM 7 H3 GLY A 1 -1.892 3.392 -2.293 1.00 0.00 H ATOM 8 HA2 GLY A 1 -3.669 3.274 -0.934 1.00 0.00 H ATOM 9 HA3 GLY A 1 -4.793 3.171 -2.290 1.00 0.00 H ATOM 10 N CYS A 2 -2.921 0.714 -1.122 1.00 0.00 N ATOM 11 CA CYS A 2 -2.924 -0.765 -0.936 1.00 0.00 C ATOM 12 C CYS A 2 -3.197 -1.114 0.529 1.00 0.00 C ATOM 13 O CYS A 2 -3.759 -2.146 0.838 1.00 0.00 O ATOM 14 CB CYS A 2 -1.525 -1.220 -1.346 1.00 0.00 C ATOM 15 SG CYS A 2 -1.362 -1.124 -3.146 1.00 0.00 S ATOM 16 H CYS A 2 -2.173 1.248 -0.783 1.00 0.00 H ATOM 17 HA CYS A 2 -3.663 -1.222 -1.575 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.788 -0.580 -0.884 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.368 -2.240 -1.024 1.00 0.00 H ATOM 20 N CYS A 3 -2.804 -0.260 1.433 1.00 0.00 N ATOM 21 CA CYS A 3 -3.042 -0.539 2.873 1.00 0.00 C ATOM 22 C CYS A 3 -4.521 -0.835 3.101 1.00 0.00 C ATOM 23 O CYS A 3 -4.891 -1.569 3.995 1.00 0.00 O ATOM 24 CB CYS A 3 -2.628 0.739 3.602 1.00 0.00 C ATOM 25 SG CYS A 3 -0.943 0.556 4.234 1.00 0.00 S ATOM 26 H CYS A 3 -2.357 0.562 1.165 1.00 0.00 H ATOM 27 HA CYS A 3 -2.435 -1.365 3.195 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.668 1.573 2.917 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.304 0.917 4.426 1.00 0.00 H ATOM 30 N GLU A 4 -5.369 -0.276 2.286 1.00 0.00 N ATOM 31 CA GLU A 4 -6.827 -0.531 2.441 1.00 0.00 C ATOM 32 C GLU A 4 -7.198 -1.820 1.705 1.00 0.00 C ATOM 33 O GLU A 4 -8.353 -2.183 1.605 1.00 0.00 O ATOM 34 CB GLU A 4 -7.514 0.674 1.798 1.00 0.00 C ATOM 35 CG GLU A 4 -8.640 1.165 2.710 1.00 0.00 C ATOM 36 CD GLU A 4 -9.508 2.173 1.953 1.00 0.00 C ATOM 37 OE1 GLU A 4 -8.949 3.094 1.381 1.00 0.00 O ATOM 38 OE2 GLU A 4 -10.716 2.005 1.959 1.00 0.00 O ATOM 39 H GLU A 4 -5.045 0.303 1.564 1.00 0.00 H ATOM 40 HA GLU A 4 -7.093 -0.598 3.483 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.793 1.465 1.656 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.926 0.385 0.843 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.246 0.325 3.017 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.216 1.641 3.581 1.00 0.00 H ATOM 45 N ILE A 5 -6.217 -2.514 1.193 1.00 0.00 N ATOM 46 CA ILE A 5 -6.493 -3.780 0.463 1.00 0.00 C ATOM 47 C ILE A 5 -5.391 -4.796 0.772 1.00 0.00 C ATOM 48 O ILE A 5 -4.224 -4.516 0.582 1.00 0.00 O ATOM 49 CB ILE A 5 -6.466 -3.394 -1.015 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.719 -2.583 -1.354 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.432 -4.657 -1.872 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.306 -1.200 -1.857 1.00 0.00 C ATOM 53 H ILE A 5 -5.292 -2.201 1.291 1.00 0.00 H ATOM 54 HA ILE A 5 -7.462 -4.172 0.730 1.00 0.00 H ATOM 55 HB ILE A 5 -5.586 -2.800 -1.215 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.281 -3.094 -2.124 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.330 -2.476 -0.472 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.667 -5.322 -1.501 1.00 0.00 H ATOM 59 HG22 ILE A 5 -6.212 -4.391 -2.896 1.00 0.00 H ATOM 60 HG23 ILE A 5 -7.391 -5.150 -1.825 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.803 -0.665 -1.065 1.00 0.00 H ATOM 62 HD12 ILE A 5 -8.184 -0.650 -2.160 1.00 0.00 H ATOM 63 HD13 ILE A 5 -6.639 -1.307 -2.700 1.00 0.00 H ATOM 64 N PRO A 6 -5.795 -5.940 1.247 1.00 0.00 N ATOM 65 CA PRO A 6 -4.818 -6.999 1.594 1.00 0.00 C ATOM 66 C PRO A 6 -4.195 -7.591 0.329 1.00 0.00 C ATOM 67 O PRO A 6 -3.057 -8.016 0.327 1.00 0.00 O ATOM 68 CB PRO A 6 -5.660 -8.036 2.333 1.00 0.00 C ATOM 69 CG PRO A 6 -7.054 -7.822 1.838 1.00 0.00 C ATOM 70 CD PRO A 6 -7.177 -6.358 1.500 1.00 0.00 C ATOM 71 HA PRO A 6 -4.054 -6.609 2.246 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.321 -9.035 2.091 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.615 -7.869 3.398 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.229 -8.424 0.957 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.764 -8.077 2.610 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.787 -6.225 0.616 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.587 -5.808 2.333 1.00 0.00 H ATOM 78 N ALA A 7 -4.928 -7.615 -0.749 1.00 0.00 N ATOM 79 CA ALA A 7 -4.372 -8.171 -2.008 1.00 0.00 C ATOM 80 C ALA A 7 -3.095 -7.424 -2.378 1.00 0.00 C ATOM 81 O ALA A 7 -2.141 -7.998 -2.863 1.00 0.00 O ATOM 82 CB ALA A 7 -5.451 -7.933 -3.062 1.00 0.00 C ATOM 83 H ALA A 7 -5.836 -7.266 -0.730 1.00 0.00 H ATOM 84 HA ALA A 7 -4.184 -9.221 -1.901 1.00 0.00 H ATOM 85 HB1 ALA A 7 -6.226 -8.676 -2.958 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.012 -8.004 -4.046 1.00 0.00 H ATOM 87 HB3 ALA A 7 -5.873 -6.949 -2.926 1.00 0.00 H ATOM 88 N CYS A 8 -3.074 -6.144 -2.144 1.00 0.00 N ATOM 89 CA CYS A 8 -1.861 -5.344 -2.472 1.00 0.00 C ATOM 90 C CYS A 8 -0.946 -5.270 -1.251 1.00 0.00 C ATOM 91 O CYS A 8 0.261 -5.259 -1.367 1.00 0.00 O ATOM 92 CB CYS A 8 -2.383 -3.956 -2.840 1.00 0.00 C ATOM 93 SG CYS A 8 -1.095 -3.041 -3.724 1.00 0.00 S ATOM 94 H CYS A 8 -3.857 -5.708 -1.748 1.00 0.00 H ATOM 95 HA CYS A 8 -1.339 -5.778 -3.307 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.253 -4.055 -3.473 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.651 -3.421 -1.941 1.00 0.00 H ATOM 98 N ILE A 9 -1.510 -5.221 -0.079 1.00 0.00 N ATOM 99 CA ILE A 9 -0.671 -5.155 1.138 1.00 0.00 C ATOM 100 C ILE A 9 -0.039 -6.526 1.400 1.00 0.00 C ATOM 101 O ILE A 9 1.109 -6.633 1.784 1.00 0.00 O ATOM 102 CB ILE A 9 -1.632 -4.720 2.261 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.981 -3.602 3.077 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.969 -5.893 3.191 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.817 -3.329 4.329 1.00 0.00 C ATOM 106 H ILE A 9 -2.479 -5.228 -0.002 1.00 0.00 H ATOM 107 HA ILE A 9 0.089 -4.417 1.003 1.00 0.00 H ATOM 108 HB ILE A 9 -2.543 -4.349 1.818 1.00 0.00 H ATOM 109 HG12 ILE A 9 0.016 -3.902 3.367 1.00 0.00 H ATOM 110 HG13 ILE A 9 -0.928 -2.704 2.479 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.239 -6.756 2.601 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.798 -5.620 3.828 1.00 0.00 H ATOM 113 HG23 ILE A 9 -1.109 -6.127 3.800 1.00 0.00 H ATOM 114 HD11 ILE A 9 -2.837 -3.122 4.042 1.00 0.00 H ATOM 115 HD12 ILE A 9 -1.411 -2.477 4.854 1.00 0.00 H ATOM 116 HD13 ILE A 9 -1.793 -4.194 4.974 1.00 0.00 H ATOM 117 N MET A 10 -0.785 -7.573 1.187 1.00 0.00 N ATOM 118 CA MET A 10 -0.246 -8.935 1.411 1.00 0.00 C ATOM 119 C MET A 10 0.676 -9.330 0.258 1.00 0.00 C ATOM 120 O MET A 10 1.663 -10.014 0.442 1.00 0.00 O ATOM 121 CB MET A 10 -1.474 -9.846 1.452 1.00 0.00 C ATOM 122 CG MET A 10 -1.181 -11.059 2.336 1.00 0.00 C ATOM 123 SD MET A 10 -2.573 -12.213 2.258 1.00 0.00 S ATOM 124 CE MET A 10 -2.092 -13.247 3.663 1.00 0.00 C ATOM 125 H MET A 10 -1.700 -7.462 0.879 1.00 0.00 H ATOM 126 HA MET A 10 0.272 -8.976 2.345 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.314 -9.298 1.855 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.707 -10.178 0.452 1.00 0.00 H ATOM 129 HG2 MET A 10 -0.285 -11.551 1.986 1.00 0.00 H ATOM 130 HG3 MET A 10 -1.039 -10.736 3.357 1.00 0.00 H ATOM 131 HE1 MET A 10 -1.110 -13.662 3.483 1.00 0.00 H ATOM 132 HE2 MET A 10 -2.810 -14.046 3.783 1.00 0.00 H ATOM 133 HE3 MET A 10 -2.068 -12.649 4.559 1.00 0.00 H ATOM 134 N ASN A 11 0.360 -8.901 -0.933 1.00 0.00 N ATOM 135 CA ASN A 11 1.215 -9.247 -2.102 1.00 0.00 C ATOM 136 C ASN A 11 2.223 -8.127 -2.359 1.00 0.00 C ATOM 137 O ASN A 11 3.286 -8.347 -2.906 1.00 0.00 O ATOM 138 CB ASN A 11 0.250 -9.381 -3.281 1.00 0.00 C ATOM 139 CG ASN A 11 -0.856 -10.379 -2.929 1.00 0.00 C ATOM 140 OD1 ASN A 11 -1.314 -10.426 -1.804 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.307 -11.186 -3.850 1.00 0.00 N ATOM 142 H ASN A 11 -0.442 -8.348 -1.057 1.00 0.00 H ATOM 143 HA ASN A 11 1.725 -10.182 -1.933 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.189 -8.417 -3.497 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.788 -9.734 -4.148 1.00 0.00 H ATOM 146 HD21 ASN A 11 -0.938 -11.148 -4.757 1.00 0.00 H ATOM 147 HD22 ASN A 11 -2.014 -11.829 -3.635 1.00 0.00 H ATOM 148 N ASN A 12 1.900 -6.925 -1.965 1.00 0.00 N ATOM 149 CA ASN A 12 2.847 -5.794 -2.185 1.00 0.00 C ATOM 150 C ASN A 12 3.091 -5.046 -0.873 1.00 0.00 C ATOM 151 O ASN A 12 2.647 -3.929 -0.702 1.00 0.00 O ATOM 152 CB ASN A 12 2.157 -4.884 -3.202 1.00 0.00 C ATOM 153 CG ASN A 12 2.817 -5.054 -4.571 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.914 -4.581 -4.793 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.192 -5.716 -5.505 1.00 0.00 N ATOM 156 H ASN A 12 1.035 -6.766 -1.521 1.00 0.00 H ATOM 157 HA ASN A 12 3.778 -6.157 -2.590 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.112 -5.148 -3.271 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.250 -3.855 -2.886 1.00 0.00 H ATOM 160 HD21 ASN A 12 1.307 -6.098 -5.327 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.606 -5.831 -6.386 1.00 0.00 H ATOM 162 N PRO A 13 3.798 -5.695 0.012 1.00 0.00 N ATOM 163 CA PRO A 13 4.113 -5.088 1.327 1.00 0.00 C ATOM 164 C PRO A 13 5.152 -3.976 1.161 1.00 0.00 C ATOM 165 O PRO A 13 5.409 -3.213 2.071 1.00 0.00 O ATOM 166 CB PRO A 13 4.683 -6.253 2.131 1.00 0.00 C ATOM 167 CG PRO A 13 5.210 -7.208 1.109 1.00 0.00 C ATOM 168 CD PRO A 13 4.365 -7.040 -0.127 1.00 0.00 C ATOM 169 HA PRO A 13 3.220 -4.712 1.800 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.481 -5.908 2.776 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.906 -6.726 2.712 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.243 -6.977 0.888 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.127 -8.221 1.471 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.979 -7.106 -1.016 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.577 -7.775 -0.153 1.00 0.00 H ATOM 176 N ASP A 14 5.746 -3.877 0.004 1.00 0.00 N ATOM 177 CA ASP A 14 6.761 -2.817 -0.223 1.00 0.00 C ATOM 178 C ASP A 14 6.163 -1.451 0.110 1.00 0.00 C ATOM 179 O ASP A 14 6.858 -0.529 0.489 1.00 0.00 O ATOM 180 CB ASP A 14 7.106 -2.907 -1.710 1.00 0.00 C ATOM 181 CG ASP A 14 8.609 -2.690 -1.900 1.00 0.00 C ATOM 182 OD1 ASP A 14 9.371 -3.514 -1.424 1.00 0.00 O ATOM 183 OD2 ASP A 14 8.970 -1.702 -2.519 1.00 0.00 O ATOM 184 H ASP A 14 5.525 -4.497 -0.714 1.00 0.00 H ATOM 185 HA ASP A 14 7.636 -3.005 0.371 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.832 -3.883 -2.083 1.00 0.00 H ATOM 187 HB3 ASP A 14 6.563 -2.148 -2.251 1.00 0.00 H ATOM 188 N TYR A 15 4.873 -1.318 -0.027 1.00 0.00 N ATOM 189 CA TYR A 15 4.220 -0.014 0.284 1.00 0.00 C ATOM 190 C TYR A 15 3.680 -0.023 1.714 1.00 0.00 C ATOM 191 O TYR A 15 3.843 0.924 2.458 1.00 0.00 O ATOM 192 CB TYR A 15 3.074 0.107 -0.722 1.00 0.00 C ATOM 193 CG TYR A 15 2.727 1.563 -0.916 1.00 0.00 C ATOM 194 CD1 TYR A 15 3.707 2.464 -1.351 1.00 0.00 C ATOM 195 CD2 TYR A 15 1.426 2.014 -0.660 1.00 0.00 C ATOM 196 CE1 TYR A 15 3.385 3.816 -1.531 1.00 0.00 C ATOM 197 CE2 TYR A 15 1.105 3.365 -0.839 1.00 0.00 C ATOM 198 CZ TYR A 15 2.085 4.265 -1.275 1.00 0.00 C ATOM 199 OH TYR A 15 1.768 5.597 -1.451 1.00 0.00 O ATOM 200 H TYR A 15 4.332 -2.079 -0.332 1.00 0.00 H ATOM 201 HA TYR A 15 4.914 0.796 0.150 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.377 -0.321 -1.666 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.209 -0.420 -0.347 1.00 0.00 H ATOM 204 HD1 TYR A 15 4.710 2.117 -1.548 1.00 0.00 H ATOM 205 HD2 TYR A 15 0.671 1.319 -0.324 1.00 0.00 H ATOM 206 HE1 TYR A 15 4.141 4.511 -1.866 1.00 0.00 H ATOM 207 HE2 TYR A 15 0.102 3.712 -0.642 1.00 0.00 H ATOM 208 HH TYR A 15 1.172 5.663 -2.202 1.00 0.00 H ATOM 209 N CYS A 16 3.039 -1.088 2.103 1.00 0.00 N ATOM 210 CA CYS A 16 2.487 -1.164 3.486 1.00 0.00 C ATOM 211 C CYS A 16 3.224 -2.237 4.292 1.00 0.00 C ATOM 212 O CYS A 16 2.616 -3.142 4.829 1.00 0.00 O ATOM 213 CB CYS A 16 1.019 -1.546 3.302 1.00 0.00 C ATOM 214 SG CYS A 16 0.105 -0.128 2.648 1.00 0.00 S ATOM 215 H CYS A 16 2.920 -1.837 1.484 1.00 0.00 H ATOM 216 HA CYS A 16 2.560 -0.206 3.976 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.947 -2.371 2.608 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.600 -1.837 4.254 1.00 0.00 H HETATM 219 N NH2 A 17 4.523 -2.174 4.400 1.00 0.00 N HETATM 220 HN1 NH2 A 17 5.015 -1.444 3.968 1.00 0.00 H HETATM 221 HN2 NH2 A 17 5.005 -2.855 4.913 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 12 ATOM 1 N GLY A 1 -6.350 2.199 -1.745 1.00 0.00 N ATOM 2 CA GLY A 1 -5.112 2.065 -2.564 1.00 0.00 C ATOM 3 C GLY A 1 -4.514 0.672 -2.359 1.00 0.00 C ATOM 4 O GLY A 1 -4.714 -0.223 -3.156 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.126 2.022 -0.746 1.00 0.00 H ATOM 6 H2 GLY A 1 -7.057 1.509 -2.071 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.730 3.162 -1.846 1.00 0.00 H ATOM 8 HA2 GLY A 1 -5.354 2.205 -3.608 1.00 0.00 H ATOM 9 HA3 GLY A 1 -4.394 2.810 -2.257 1.00 0.00 H ATOM 10 N CYS A 2 -3.785 0.482 -1.294 1.00 0.00 N ATOM 11 CA CYS A 2 -3.175 -0.855 -1.038 1.00 0.00 C ATOM 12 C CYS A 2 -3.170 -1.156 0.464 1.00 0.00 C ATOM 13 O CYS A 2 -3.365 -2.280 0.884 1.00 0.00 O ATOM 14 CB CYS A 2 -1.746 -0.747 -1.572 1.00 0.00 C ATOM 15 SG CYS A 2 -1.751 -0.980 -3.368 1.00 0.00 S ATOM 16 H CYS A 2 -3.638 1.217 -0.664 1.00 0.00 H ATOM 17 HA CYS A 2 -3.711 -1.620 -1.572 1.00 0.00 H ATOM 18 HB2 CYS A 2 -1.346 0.228 -1.338 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.133 -1.508 -1.112 1.00 0.00 H ATOM 20 N CYS A 3 -2.944 -0.160 1.275 1.00 0.00 N ATOM 21 CA CYS A 3 -2.920 -0.381 2.746 1.00 0.00 C ATOM 22 C CYS A 3 -4.281 -0.870 3.231 1.00 0.00 C ATOM 23 O CYS A 3 -4.378 -1.760 4.050 1.00 0.00 O ATOM 24 CB CYS A 3 -2.593 0.982 3.353 1.00 0.00 C ATOM 25 SG CYS A 3 -1.303 0.785 4.607 1.00 0.00 S ATOM 26 H CYS A 3 -2.786 0.730 0.919 1.00 0.00 H ATOM 27 HA CYS A 3 -2.159 -1.089 2.996 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.242 1.648 2.577 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.479 1.396 3.810 1.00 0.00 H ATOM 30 N GLU A 4 -5.334 -0.305 2.718 1.00 0.00 N ATOM 31 CA GLU A 4 -6.689 -0.752 3.137 1.00 0.00 C ATOM 32 C GLU A 4 -7.081 -1.988 2.329 1.00 0.00 C ATOM 33 O GLU A 4 -8.200 -2.457 2.387 1.00 0.00 O ATOM 34 CB GLU A 4 -7.617 0.426 2.828 1.00 0.00 C ATOM 35 CG GLU A 4 -7.873 0.503 1.321 1.00 0.00 C ATOM 36 CD GLU A 4 -8.952 1.551 1.041 1.00 0.00 C ATOM 37 OE1 GLU A 4 -9.769 1.781 1.919 1.00 0.00 O ATOM 38 OE2 GLU A 4 -8.944 2.106 -0.045 1.00 0.00 O ATOM 39 H GLU A 4 -5.233 0.401 2.047 1.00 0.00 H ATOM 40 HA GLU A 4 -6.704 -0.969 4.194 1.00 0.00 H ATOM 41 HB2 GLU A 4 -8.554 0.289 3.347 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.154 1.344 3.158 1.00 0.00 H ATOM 43 HG2 GLU A 4 -6.961 0.779 0.814 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.209 -0.459 0.963 1.00 0.00 H ATOM 45 N ILE A 5 -6.156 -2.518 1.575 1.00 0.00 N ATOM 46 CA ILE A 5 -6.452 -3.723 0.757 1.00 0.00 C ATOM 47 C ILE A 5 -5.317 -4.735 0.910 1.00 0.00 C ATOM 48 O ILE A 5 -4.185 -4.447 0.579 1.00 0.00 O ATOM 49 CB ILE A 5 -6.522 -3.215 -0.681 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.776 -2.356 -0.861 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.576 -4.404 -1.638 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.381 -0.989 -1.425 1.00 0.00 C ATOM 53 H ILE A 5 -5.259 -2.123 1.546 1.00 0.00 H ATOM 54 HA ILE A 5 -7.395 -4.157 1.046 1.00 0.00 H ATOM 55 HB ILE A 5 -5.643 -2.623 -0.896 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.453 -2.847 -1.546 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.263 -2.222 0.093 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.617 -4.521 -2.121 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.337 -4.230 -2.384 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.811 -5.300 -1.084 1.00 0.00 H ATOM 61 HD11 ILE A 5 -7.972 -0.219 -0.951 1.00 0.00 H ATOM 62 HD12 ILE A 5 -7.560 -0.974 -2.490 1.00 0.00 H ATOM 63 HD13 ILE A 5 -6.334 -0.809 -1.232 1.00 0.00 H ATOM 64 N PRO A 6 -5.655 -5.890 1.412 1.00 0.00 N ATOM 65 CA PRO A 6 -4.641 -6.951 1.613 1.00 0.00 C ATOM 66 C PRO A 6 -4.163 -7.489 0.265 1.00 0.00 C ATOM 67 O PRO A 6 -3.029 -7.891 0.113 1.00 0.00 O ATOM 68 CB PRO A 6 -5.392 -8.020 2.403 1.00 0.00 C ATOM 69 CG PRO A 6 -6.833 -7.796 2.074 1.00 0.00 C ATOM 70 CD PRO A 6 -6.994 -6.317 1.831 1.00 0.00 C ATOM 71 HA PRO A 6 -3.812 -6.577 2.188 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.079 -9.007 2.089 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.230 -7.890 3.462 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.098 -8.351 1.185 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.455 -8.098 2.902 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.717 -6.139 1.047 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.280 -5.810 2.739 1.00 0.00 H ATOM 78 N ALA A 7 -5.015 -7.490 -0.720 1.00 0.00 N ATOM 79 CA ALA A 7 -4.597 -7.992 -2.053 1.00 0.00 C ATOM 80 C ALA A 7 -3.330 -7.266 -2.490 1.00 0.00 C ATOM 81 O ALA A 7 -2.483 -7.814 -3.164 1.00 0.00 O ATOM 82 CB ALA A 7 -5.753 -7.653 -2.990 1.00 0.00 C ATOM 83 H ALA A 7 -5.920 -7.157 -0.586 1.00 0.00 H ATOM 84 HA ALA A 7 -4.441 -9.054 -2.022 1.00 0.00 H ATOM 85 HB1 ALA A 7 -6.656 -7.521 -2.414 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.889 -8.458 -3.697 1.00 0.00 H ATOM 87 HB3 ALA A 7 -5.528 -6.741 -3.521 1.00 0.00 H ATOM 88 N CYS A 8 -3.200 -6.028 -2.102 1.00 0.00 N ATOM 89 CA CYS A 8 -1.989 -5.251 -2.483 1.00 0.00 C ATOM 90 C CYS A 8 -1.023 -5.179 -1.302 1.00 0.00 C ATOM 91 O CYS A 8 0.176 -5.204 -1.470 1.00 0.00 O ATOM 92 CB CYS A 8 -2.507 -3.860 -2.848 1.00 0.00 C ATOM 93 SG CYS A 8 -1.181 -2.901 -3.619 1.00 0.00 S ATOM 94 H CYS A 8 -3.901 -5.611 -1.556 1.00 0.00 H ATOM 95 HA CYS A 8 -1.505 -5.703 -3.331 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.333 -3.953 -3.538 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.841 -3.355 -1.953 1.00 0.00 H ATOM 98 N ILE A 9 -1.532 -5.100 -0.107 1.00 0.00 N ATOM 99 CA ILE A 9 -0.631 -5.044 1.066 1.00 0.00 C ATOM 100 C ILE A 9 -0.077 -6.447 1.337 1.00 0.00 C ATOM 101 O ILE A 9 1.082 -6.623 1.658 1.00 0.00 O ATOM 102 CB ILE A 9 -1.504 -4.516 2.220 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.819 -3.305 2.856 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.722 -5.589 3.296 1.00 0.00 C ATOM 105 CD1 ILE A 9 0.522 -3.732 3.455 1.00 0.00 C ATOM 106 H ILE A 9 -2.494 -5.085 0.016 1.00 0.00 H ATOM 107 HA ILE A 9 0.165 -4.361 0.871 1.00 0.00 H ATOM 108 HB ILE A 9 -2.457 -4.212 1.823 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.654 -2.548 2.104 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.448 -2.907 3.638 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.461 -5.244 4.004 1.00 0.00 H ATOM 112 HG22 ILE A 9 -0.790 -5.777 3.810 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.065 -6.501 2.831 1.00 0.00 H ATOM 114 HD11 ILE A 9 1.323 -3.232 2.932 1.00 0.00 H ATOM 115 HD12 ILE A 9 0.639 -4.801 3.353 1.00 0.00 H ATOM 116 HD13 ILE A 9 0.551 -3.465 4.501 1.00 0.00 H ATOM 117 N MET A 10 -0.907 -7.443 1.198 1.00 0.00 N ATOM 118 CA MET A 10 -0.455 -8.835 1.430 1.00 0.00 C ATOM 119 C MET A 10 0.494 -9.267 0.312 1.00 0.00 C ATOM 120 O MET A 10 1.483 -9.932 0.548 1.00 0.00 O ATOM 121 CB MET A 10 -1.731 -9.679 1.409 1.00 0.00 C ATOM 122 CG MET A 10 -1.445 -11.053 2.018 1.00 0.00 C ATOM 123 SD MET A 10 -0.685 -12.120 0.769 1.00 0.00 S ATOM 124 CE MET A 10 0.171 -13.231 1.913 1.00 0.00 C ATOM 125 H MET A 10 -1.828 -7.273 0.937 1.00 0.00 H ATOM 126 HA MET A 10 0.022 -8.912 2.384 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.500 -9.182 1.984 1.00 0.00 H ATOM 128 HB3 MET A 10 -2.064 -9.801 0.390 1.00 0.00 H ATOM 129 HG2 MET A 10 -0.774 -10.943 2.857 1.00 0.00 H ATOM 130 HG3 MET A 10 -2.371 -11.497 2.354 1.00 0.00 H ATOM 131 HE1 MET A 10 0.424 -14.148 1.400 1.00 0.00 H ATOM 132 HE2 MET A 10 -0.475 -13.448 2.752 1.00 0.00 H ATOM 133 HE3 MET A 10 1.073 -12.760 2.268 1.00 0.00 H ATOM 134 N ASN A 11 0.205 -8.887 -0.901 1.00 0.00 N ATOM 135 CA ASN A 11 1.100 -9.269 -2.030 1.00 0.00 C ATOM 136 C ASN A 11 2.113 -8.154 -2.275 1.00 0.00 C ATOM 137 O ASN A 11 3.226 -8.391 -2.701 1.00 0.00 O ATOM 138 CB ASN A 11 0.174 -9.440 -3.235 1.00 0.00 C ATOM 139 CG ASN A 11 0.065 -10.926 -3.583 1.00 0.00 C ATOM 140 OD1 ASN A 11 0.879 -11.722 -3.159 1.00 0.00 O ATOM 141 ND2 ASN A 11 -0.915 -11.337 -4.340 1.00 0.00 N ATOM 142 H ASN A 11 -0.594 -8.341 -1.070 1.00 0.00 H ATOM 143 HA ASN A 11 1.603 -10.198 -1.813 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.805 -9.052 -2.995 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.578 -8.903 -4.080 1.00 0.00 H ATOM 146 HD21 ASN A 11 -1.573 -10.696 -4.680 1.00 0.00 H ATOM 147 HD22 ASN A 11 -0.993 -12.287 -4.567 1.00 0.00 H ATOM 148 N ASN A 12 1.735 -6.938 -1.998 1.00 0.00 N ATOM 149 CA ASN A 12 2.672 -5.794 -2.202 1.00 0.00 C ATOM 150 C ASN A 12 2.766 -4.970 -0.914 1.00 0.00 C ATOM 151 O ASN A 12 2.404 -3.811 -0.890 1.00 0.00 O ATOM 152 CB ASN A 12 2.063 -4.956 -3.333 1.00 0.00 C ATOM 153 CG ASN A 12 1.380 -5.869 -4.355 1.00 0.00 C ATOM 154 OD1 ASN A 12 0.326 -6.414 -4.092 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.942 -6.062 -5.514 1.00 0.00 N ATOM 156 H ASN A 12 0.830 -6.773 -1.651 1.00 0.00 H ATOM 157 HA ASN A 12 3.647 -6.154 -2.492 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.338 -4.269 -2.922 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.845 -4.396 -3.822 1.00 0.00 H ATOM 160 HD21 ASN A 12 2.792 -5.623 -5.724 1.00 0.00 H ATOM 161 HD22 ASN A 12 1.516 -6.647 -6.173 1.00 0.00 H ATOM 162 N PRO A 13 3.247 -5.608 0.119 1.00 0.00 N ATOM 163 CA PRO A 13 3.387 -4.937 1.436 1.00 0.00 C ATOM 164 C PRO A 13 4.519 -3.907 1.399 1.00 0.00 C ATOM 165 O PRO A 13 4.641 -3.075 2.277 1.00 0.00 O ATOM 166 CB PRO A 13 3.718 -6.082 2.389 1.00 0.00 C ATOM 167 CG PRO A 13 4.324 -7.141 1.526 1.00 0.00 C ATOM 168 CD PRO A 13 3.704 -7.001 0.159 1.00 0.00 C ATOM 169 HA PRO A 13 2.458 -4.471 1.727 1.00 0.00 H ATOM 170 HB2 PRO A 13 4.425 -5.753 3.138 1.00 0.00 H ATOM 171 HB3 PRO A 13 2.820 -6.456 2.856 1.00 0.00 H ATOM 172 HG2 PRO A 13 5.395 -6.999 1.465 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.101 -8.117 1.927 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.444 -7.182 -0.610 1.00 0.00 H ATOM 175 HD3 PRO A 13 2.867 -7.672 0.050 1.00 0.00 H ATOM 176 N ASP A 14 5.345 -3.947 0.389 1.00 0.00 N ATOM 177 CA ASP A 14 6.453 -2.961 0.305 1.00 0.00 C ATOM 178 C ASP A 14 5.888 -1.555 0.498 1.00 0.00 C ATOM 179 O ASP A 14 6.580 -0.638 0.891 1.00 0.00 O ATOM 180 CB ASP A 14 7.032 -3.127 -1.099 1.00 0.00 C ATOM 181 CG ASP A 14 8.296 -3.988 -1.033 1.00 0.00 C ATOM 182 OD1 ASP A 14 8.467 -4.680 -0.042 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.071 -3.941 -1.974 1.00 0.00 O ATOM 184 H ASP A 14 5.232 -4.615 -0.312 1.00 0.00 H ATOM 185 HA ASP A 14 7.203 -3.177 1.046 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.302 -3.605 -1.735 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.281 -2.157 -1.501 1.00 0.00 H ATOM 188 N TYR A 15 4.623 -1.390 0.230 1.00 0.00 N ATOM 189 CA TYR A 15 3.985 -0.056 0.399 1.00 0.00 C ATOM 190 C TYR A 15 3.455 0.083 1.828 1.00 0.00 C ATOM 191 O TYR A 15 3.418 1.162 2.387 1.00 0.00 O ATOM 192 CB TYR A 15 2.831 -0.041 -0.605 1.00 0.00 C ATOM 193 CG TYR A 15 2.673 1.346 -1.182 1.00 0.00 C ATOM 194 CD1 TYR A 15 1.893 2.298 -0.514 1.00 0.00 C ATOM 195 CD2 TYR A 15 3.302 1.679 -2.388 1.00 0.00 C ATOM 196 CE1 TYR A 15 1.742 3.582 -1.051 1.00 0.00 C ATOM 197 CE2 TYR A 15 3.152 2.963 -2.924 1.00 0.00 C ATOM 198 CZ TYR A 15 2.372 3.914 -2.257 1.00 0.00 C ATOM 199 OH TYR A 15 2.223 5.179 -2.786 1.00 0.00 O ATOM 200 H TYR A 15 4.088 -2.153 -0.081 1.00 0.00 H ATOM 201 HA TYR A 15 4.684 0.732 0.175 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.040 -0.740 -1.401 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.917 -0.327 -0.106 1.00 0.00 H ATOM 204 HD1 TYR A 15 1.407 2.042 0.417 1.00 0.00 H ATOM 205 HD2 TYR A 15 3.903 0.945 -2.904 1.00 0.00 H ATOM 206 HE1 TYR A 15 1.141 4.316 -0.536 1.00 0.00 H ATOM 207 HE2 TYR A 15 3.637 3.220 -3.854 1.00 0.00 H ATOM 208 HH TYR A 15 3.096 5.567 -2.877 1.00 0.00 H ATOM 209 N CYS A 16 3.045 -1.004 2.423 1.00 0.00 N ATOM 210 CA CYS A 16 2.517 -0.941 3.814 1.00 0.00 C ATOM 211 C CYS A 16 2.976 -2.164 4.612 1.00 0.00 C ATOM 212 O CYS A 16 3.073 -3.254 4.081 1.00 0.00 O ATOM 213 CB CYS A 16 0.996 -0.937 3.657 1.00 0.00 C ATOM 214 SG CYS A 16 0.413 0.773 3.546 1.00 0.00 S ATOM 215 H CYS A 16 3.084 -1.862 1.952 1.00 0.00 H ATOM 216 HA CYS A 16 2.839 -0.032 4.300 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.726 -1.470 2.756 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.542 -1.419 4.510 1.00 0.00 H HETATM 219 N NH2 A 17 3.266 -2.030 5.877 1.00 0.00 N HETATM 220 HN1 NH2 A 17 3.189 -1.151 6.307 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.563 -2.805 6.397 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 13 ATOM 1 N GLY A 1 -5.744 2.987 -0.931 1.00 0.00 N ATOM 2 CA GLY A 1 -4.382 2.466 -1.246 1.00 0.00 C ATOM 3 C GLY A 1 -4.315 0.978 -0.906 1.00 0.00 C ATOM 4 O GLY A 1 -5.287 0.386 -0.483 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.706 3.552 -0.059 1.00 0.00 H ATOM 6 H2 GLY A 1 -6.398 2.188 -0.801 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.077 3.586 -1.713 1.00 0.00 H ATOM 8 HA2 GLY A 1 -4.177 2.608 -2.298 1.00 0.00 H ATOM 9 HA3 GLY A 1 -3.647 2.999 -0.661 1.00 0.00 H ATOM 10 N CYS A 2 -3.177 0.365 -1.090 1.00 0.00 N ATOM 11 CA CYS A 2 -3.054 -1.088 -0.778 1.00 0.00 C ATOM 12 C CYS A 2 -3.317 -1.330 0.707 1.00 0.00 C ATOM 13 O CYS A 2 -3.912 -2.314 1.090 1.00 0.00 O ATOM 14 CB CYS A 2 -1.614 -1.453 -1.141 1.00 0.00 C ATOM 15 SG CYS A 2 -1.364 -1.193 -2.915 1.00 0.00 S ATOM 16 H CYS A 2 -2.403 0.860 -1.432 1.00 0.00 H ATOM 17 HA CYS A 2 -3.741 -1.659 -1.377 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.934 -0.825 -0.586 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.430 -2.488 -0.897 1.00 0.00 H ATOM 20 N CYS A 3 -2.885 -0.436 1.547 1.00 0.00 N ATOM 21 CA CYS A 3 -3.121 -0.617 3.000 1.00 0.00 C ATOM 22 C CYS A 3 -4.601 -0.891 3.235 1.00 0.00 C ATOM 23 O CYS A 3 -4.979 -1.624 4.127 1.00 0.00 O ATOM 24 CB CYS A 3 -2.709 0.707 3.642 1.00 0.00 C ATOM 25 SG CYS A 3 -0.915 0.747 3.870 1.00 0.00 S ATOM 26 H CYS A 3 -2.413 0.350 1.224 1.00 0.00 H ATOM 27 HA CYS A 3 -2.519 -1.423 3.377 1.00 0.00 H ATOM 28 HB2 CYS A 3 -3.007 1.524 3.002 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.196 0.806 4.601 1.00 0.00 H ATOM 30 N GLU A 4 -5.437 -0.313 2.423 1.00 0.00 N ATOM 31 CA GLU A 4 -6.898 -0.543 2.572 1.00 0.00 C ATOM 32 C GLU A 4 -7.283 -1.835 1.852 1.00 0.00 C ATOM 33 O GLU A 4 -8.444 -2.176 1.740 1.00 0.00 O ATOM 34 CB GLU A 4 -7.557 0.663 1.901 1.00 0.00 C ATOM 35 CG GLU A 4 -7.754 1.778 2.929 1.00 0.00 C ATOM 36 CD GLU A 4 -7.554 3.135 2.251 1.00 0.00 C ATOM 37 OE1 GLU A 4 -7.357 3.150 1.047 1.00 0.00 O ATOM 38 OE2 GLU A 4 -7.601 4.136 2.948 1.00 0.00 O ATOM 39 H GLU A 4 -5.100 0.262 1.704 1.00 0.00 H ATOM 40 HA GLU A 4 -7.174 -0.587 3.613 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.923 1.017 1.101 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.516 0.372 1.499 1.00 0.00 H ATOM 43 HG2 GLU A 4 -8.754 1.721 3.334 1.00 0.00 H ATOM 44 HG3 GLU A 4 -7.034 1.666 3.725 1.00 0.00 H ATOM 45 N ILE A 5 -6.310 -2.555 1.357 1.00 0.00 N ATOM 46 CA ILE A 5 -6.608 -3.823 0.637 1.00 0.00 C ATOM 47 C ILE A 5 -5.503 -4.845 0.908 1.00 0.00 C ATOM 48 O ILE A 5 -4.335 -4.560 0.735 1.00 0.00 O ATOM 49 CB ILE A 5 -6.634 -3.432 -0.838 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.952 -2.721 -1.149 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.516 -4.684 -1.705 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.668 -1.270 -1.530 1.00 0.00 C ATOM 53 H ILE A 5 -5.378 -2.259 1.458 1.00 0.00 H ATOM 54 HA ILE A 5 -7.570 -4.209 0.935 1.00 0.00 H ATOM 55 HB ILE A 5 -5.807 -2.770 -1.049 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.448 -3.219 -1.970 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.589 -2.743 -0.277 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.583 -4.658 -2.248 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.339 -4.715 -2.404 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.543 -5.561 -1.076 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.664 -1.011 -1.230 1.00 0.00 H ATOM 62 HD12 ILE A 5 -8.373 -0.624 -1.030 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.767 -1.155 -2.599 1.00 0.00 H ATOM 64 N PRO A 6 -5.908 -6.008 1.331 1.00 0.00 N ATOM 65 CA PRO A 6 -4.936 -7.083 1.637 1.00 0.00 C ATOM 66 C PRO A 6 -4.285 -7.605 0.357 1.00 0.00 C ATOM 67 O PRO A 6 -3.101 -7.864 0.314 1.00 0.00 O ATOM 68 CB PRO A 6 -5.791 -8.160 2.300 1.00 0.00 C ATOM 69 CG PRO A 6 -7.174 -7.916 1.790 1.00 0.00 C ATOM 70 CD PRO A 6 -7.293 -6.433 1.560 1.00 0.00 C ATOM 71 HA PRO A 6 -4.188 -6.730 2.325 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.446 -9.143 2.010 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.768 -8.051 3.373 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.325 -8.451 0.862 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.902 -8.230 2.522 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.905 -6.232 0.691 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.694 -5.943 2.433 1.00 0.00 H ATOM 78 N ALA A 7 -5.043 -7.756 -0.689 1.00 0.00 N ATOM 79 CA ALA A 7 -4.457 -8.259 -1.956 1.00 0.00 C ATOM 80 C ALA A 7 -3.224 -7.440 -2.304 1.00 0.00 C ATOM 81 O ALA A 7 -2.243 -7.948 -2.810 1.00 0.00 O ATOM 82 CB ALA A 7 -5.540 -8.063 -3.013 1.00 0.00 C ATOM 83 H ALA A 7 -5.988 -7.533 -0.644 1.00 0.00 H ATOM 84 HA ALA A 7 -4.210 -9.301 -1.866 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.077 -7.819 -3.958 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.193 -7.257 -2.713 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.111 -8.972 -3.115 1.00 0.00 H ATOM 88 N CYS A 8 -3.267 -6.171 -2.029 1.00 0.00 N ATOM 89 CA CYS A 8 -2.093 -5.312 -2.338 1.00 0.00 C ATOM 90 C CYS A 8 -1.157 -5.258 -1.134 1.00 0.00 C ATOM 91 O CYS A 8 0.046 -5.216 -1.274 1.00 0.00 O ATOM 92 CB CYS A 8 -2.668 -3.929 -2.649 1.00 0.00 C ATOM 93 SG CYS A 8 -1.517 -3.038 -3.729 1.00 0.00 S ATOM 94 H CYS A 8 -4.072 -5.787 -1.614 1.00 0.00 H ATOM 95 HA CYS A 8 -1.570 -5.693 -3.199 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.618 -4.040 -3.149 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.805 -3.378 -1.731 1.00 0.00 H ATOM 98 N ILE A 9 -1.689 -5.263 0.050 1.00 0.00 N ATOM 99 CA ILE A 9 -0.810 -5.215 1.238 1.00 0.00 C ATOM 100 C ILE A 9 -0.083 -6.559 1.409 1.00 0.00 C ATOM 101 O ILE A 9 1.070 -6.605 1.789 1.00 0.00 O ATOM 102 CB ILE A 9 -1.745 -4.881 2.415 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.083 -3.819 3.297 1.00 0.00 C ATOM 104 CG2 ILE A 9 -2.041 -6.128 3.255 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.848 -3.694 4.618 1.00 0.00 C ATOM 106 H ILE A 9 -2.654 -5.294 0.156 1.00 0.00 H ATOM 107 HA ILE A 9 -0.095 -4.431 1.110 1.00 0.00 H ATOM 108 HB ILE A 9 -2.673 -4.488 2.025 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.060 -4.104 3.497 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.098 -2.868 2.786 1.00 0.00 H ATOM 111 HG21 ILE A 9 -1.191 -6.345 3.884 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.230 -6.966 2.601 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.909 -5.948 3.872 1.00 0.00 H ATOM 114 HD11 ILE A 9 -1.267 -4.139 5.413 1.00 0.00 H ATOM 115 HD12 ILE A 9 -2.797 -4.205 4.536 1.00 0.00 H ATOM 116 HD13 ILE A 9 -2.019 -2.651 4.838 1.00 0.00 H ATOM 117 N MET A 10 -0.741 -7.649 1.115 1.00 0.00 N ATOM 118 CA MET A 10 -0.077 -8.971 1.243 1.00 0.00 C ATOM 119 C MET A 10 0.869 -9.188 0.063 1.00 0.00 C ATOM 120 O MET A 10 1.945 -9.734 0.205 1.00 0.00 O ATOM 121 CB MET A 10 -1.199 -10.009 1.219 1.00 0.00 C ATOM 122 CG MET A 10 -1.244 -10.745 2.559 1.00 0.00 C ATOM 123 SD MET A 10 -2.478 -12.066 2.482 1.00 0.00 S ATOM 124 CE MET A 10 -1.532 -13.307 3.399 1.00 0.00 C ATOM 125 H MET A 10 -1.658 -7.597 0.803 1.00 0.00 H ATOM 126 HA MET A 10 0.454 -9.025 2.170 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.141 -9.516 1.047 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.013 -10.718 0.426 1.00 0.00 H ATOM 129 HG2 MET A 10 -0.273 -11.172 2.767 1.00 0.00 H ATOM 130 HG3 MET A 10 -1.508 -10.050 3.343 1.00 0.00 H ATOM 131 HE1 MET A 10 -2.211 -14.040 3.816 1.00 0.00 H ATOM 132 HE2 MET A 10 -0.984 -12.822 4.196 1.00 0.00 H ATOM 133 HE3 MET A 10 -0.839 -13.796 2.736 1.00 0.00 H ATOM 134 N ASN A 11 0.473 -8.757 -1.103 1.00 0.00 N ATOM 135 CA ASN A 11 1.345 -8.927 -2.297 1.00 0.00 C ATOM 136 C ASN A 11 2.311 -7.748 -2.406 1.00 0.00 C ATOM 137 O ASN A 11 3.444 -7.896 -2.819 1.00 0.00 O ATOM 138 CB ASN A 11 0.389 -8.953 -3.490 1.00 0.00 C ATOM 139 CG ASN A 11 0.867 -9.991 -4.504 1.00 0.00 C ATOM 140 OD1 ASN A 11 2.051 -10.240 -4.626 1.00 0.00 O ATOM 141 ND2 ASN A 11 -0.008 -10.613 -5.243 1.00 0.00 N ATOM 142 H ASN A 11 -0.398 -8.316 -1.191 1.00 0.00 H ATOM 143 HA ASN A 11 1.888 -9.854 -2.238 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.603 -9.214 -3.149 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.365 -7.980 -3.956 1.00 0.00 H ATOM 146 HD21 ASN A 11 -0.962 -10.412 -5.145 1.00 0.00 H ATOM 147 HD22 ASN A 11 0.288 -11.278 -5.898 1.00 0.00 H ATOM 148 N ASN A 12 1.877 -6.578 -2.023 1.00 0.00 N ATOM 149 CA ASN A 12 2.781 -5.394 -2.093 1.00 0.00 C ATOM 150 C ASN A 12 2.946 -4.786 -0.698 1.00 0.00 C ATOM 151 O ASN A 12 2.456 -3.707 -0.427 1.00 0.00 O ATOM 152 CB ASN A 12 2.096 -4.405 -3.042 1.00 0.00 C ATOM 153 CG ASN A 12 2.447 -4.758 -4.487 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.496 -4.392 -4.978 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.606 -5.461 -5.195 1.00 0.00 N ATOM 156 H ASN A 12 0.955 -6.482 -1.679 1.00 0.00 H ATOM 157 HA ASN A 12 3.743 -5.680 -2.492 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.027 -4.456 -2.910 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.439 -3.404 -2.827 1.00 0.00 H ATOM 160 HD21 ASN A 12 0.759 -5.755 -4.801 1.00 0.00 H ATOM 161 HD22 ASN A 12 1.821 -5.695 -6.123 1.00 0.00 H ATOM 162 N PRO A 13 3.632 -5.512 0.143 1.00 0.00 N ATOM 163 CA PRO A 13 3.869 -5.055 1.535 1.00 0.00 C ATOM 164 C PRO A 13 4.872 -3.900 1.555 1.00 0.00 C ATOM 165 O PRO A 13 4.872 -3.082 2.453 1.00 0.00 O ATOM 166 CB PRO A 13 4.446 -6.290 2.224 1.00 0.00 C ATOM 167 CG PRO A 13 5.049 -7.101 1.123 1.00 0.00 C ATOM 168 CD PRO A 13 4.248 -6.818 -0.121 1.00 0.00 C ATOM 169 HA PRO A 13 2.944 -4.768 2.005 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.202 -6.000 2.940 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.663 -6.851 2.709 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.081 -6.812 0.975 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.989 -8.151 1.362 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.898 -6.765 -0.985 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.486 -7.567 -0.261 1.00 0.00 H ATOM 176 N ASP A 14 5.721 -3.823 0.569 1.00 0.00 N ATOM 177 CA ASP A 14 6.711 -2.717 0.535 1.00 0.00 C ATOM 178 C ASP A 14 5.985 -1.389 0.707 1.00 0.00 C ATOM 179 O ASP A 14 6.506 -0.445 1.269 1.00 0.00 O ATOM 180 CB ASP A 14 7.361 -2.804 -0.846 1.00 0.00 C ATOM 181 CG ASP A 14 6.363 -2.344 -1.910 1.00 0.00 C ATOM 182 OD1 ASP A 14 6.251 -1.145 -2.111 1.00 0.00 O ATOM 183 OD2 ASP A 14 5.728 -3.197 -2.508 1.00 0.00 O ATOM 184 H ASP A 14 5.703 -4.484 -0.147 1.00 0.00 H ATOM 185 HA ASP A 14 7.451 -2.854 1.302 1.00 0.00 H ATOM 186 HB2 ASP A 14 8.234 -2.168 -0.872 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.651 -3.824 -1.046 1.00 0.00 H ATOM 188 N TYR A 15 4.773 -1.318 0.233 1.00 0.00 N ATOM 189 CA TYR A 15 3.986 -0.062 0.371 1.00 0.00 C ATOM 190 C TYR A 15 3.400 0.023 1.781 1.00 0.00 C ATOM 191 O TYR A 15 3.483 1.040 2.441 1.00 0.00 O ATOM 192 CB TYR A 15 2.874 -0.171 -0.673 1.00 0.00 C ATOM 193 CG TYR A 15 2.854 1.079 -1.520 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.886 2.339 -0.909 1.00 0.00 C ATOM 195 CD2 TYR A 15 2.806 0.979 -2.916 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.867 3.498 -1.694 1.00 0.00 C ATOM 197 CE2 TYR A 15 2.788 2.139 -3.700 1.00 0.00 C ATOM 198 CZ TYR A 15 2.818 3.399 -3.090 1.00 0.00 C ATOM 199 OH TYR A 15 2.800 4.542 -3.862 1.00 0.00 O ATOM 200 H TYR A 15 4.376 -2.100 -0.206 1.00 0.00 H ATOM 201 HA TYR A 15 4.605 0.794 0.167 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.053 -1.030 -1.302 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.922 -0.281 -0.175 1.00 0.00 H ATOM 204 HD1 TYR A 15 2.924 2.416 0.167 1.00 0.00 H ATOM 205 HD2 TYR A 15 2.781 0.008 -3.388 1.00 0.00 H ATOM 206 HE1 TYR A 15 2.893 4.469 -1.222 1.00 0.00 H ATOM 207 HE2 TYR A 15 2.751 2.062 -4.777 1.00 0.00 H ATOM 208 HH TYR A 15 3.685 4.680 -4.207 1.00 0.00 H ATOM 209 N CYS A 16 2.812 -1.044 2.246 1.00 0.00 N ATOM 210 CA CYS A 16 2.221 -1.040 3.614 1.00 0.00 C ATOM 211 C CYS A 16 3.081 -1.874 4.568 1.00 0.00 C ATOM 212 O CYS A 16 2.727 -2.980 4.922 1.00 0.00 O ATOM 213 CB CYS A 16 0.840 -1.669 3.444 1.00 0.00 C ATOM 214 SG CYS A 16 -0.204 -0.545 2.489 1.00 0.00 S ATOM 215 H CYS A 16 2.761 -1.851 1.694 1.00 0.00 H ATOM 216 HA CYS A 16 2.123 -0.029 3.979 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.932 -2.610 2.922 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.396 -1.835 4.415 1.00 0.00 H HETATM 219 N NH2 A 17 4.209 -1.380 5.002 1.00 0.00 N HETATM 220 HN1 NH2 A 17 4.496 -0.488 4.716 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.769 -1.903 5.613 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 14 ATOM 1 N GLY A 1 -2.701 3.613 -2.371 1.00 0.00 N ATOM 2 CA GLY A 1 -3.607 3.257 -1.241 1.00 0.00 C ATOM 3 C GLY A 1 -3.858 1.749 -1.243 1.00 0.00 C ATOM 4 O GLY A 1 -4.908 1.284 -1.640 1.00 0.00 O ATOM 5 H1 GLY A 1 -2.640 2.813 -3.033 1.00 0.00 H ATOM 6 H2 GLY A 1 -1.754 3.831 -2.000 1.00 0.00 H ATOM 7 H3 GLY A 1 -3.078 4.444 -2.870 1.00 0.00 H ATOM 8 HA2 GLY A 1 -3.146 3.546 -0.307 1.00 0.00 H ATOM 9 HA3 GLY A 1 -4.547 3.776 -1.356 1.00 0.00 H ATOM 10 N CYS A 2 -2.901 0.979 -0.804 1.00 0.00 N ATOM 11 CA CYS A 2 -3.085 -0.500 -0.781 1.00 0.00 C ATOM 12 C CYS A 2 -3.365 -0.976 0.647 1.00 0.00 C ATOM 13 O CYS A 2 -3.876 -2.057 0.862 1.00 0.00 O ATOM 14 CB CYS A 2 -1.760 -1.071 -1.285 1.00 0.00 C ATOM 15 SG CYS A 2 -1.754 -1.081 -3.095 1.00 0.00 S ATOM 16 H CYS A 2 -2.060 1.374 -0.489 1.00 0.00 H ATOM 17 HA CYS A 2 -3.887 -0.790 -1.441 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.945 -0.461 -0.925 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.642 -2.080 -0.920 1.00 0.00 H ATOM 20 N CYS A 3 -3.033 -0.176 1.623 1.00 0.00 N ATOM 21 CA CYS A 3 -3.275 -0.580 3.033 1.00 0.00 C ATOM 22 C CYS A 3 -4.745 -0.946 3.225 1.00 0.00 C ATOM 23 O CYS A 3 -5.098 -1.708 4.103 1.00 0.00 O ATOM 24 CB CYS A 3 -2.918 0.651 3.868 1.00 0.00 C ATOM 25 SG CYS A 3 -1.152 0.630 4.260 1.00 0.00 S ATOM 26 H CYS A 3 -2.624 0.685 1.430 1.00 0.00 H ATOM 27 HA CYS A 3 -2.640 -1.405 3.297 1.00 0.00 H ATOM 28 HB2 CYS A 3 -3.152 1.544 3.310 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.490 0.641 4.784 1.00 0.00 H ATOM 30 N GLU A 4 -5.603 -0.416 2.401 1.00 0.00 N ATOM 31 CA GLU A 4 -7.050 -0.741 2.527 1.00 0.00 C ATOM 32 C GLU A 4 -7.349 -2.023 1.751 1.00 0.00 C ATOM 33 O GLU A 4 -8.483 -2.447 1.641 1.00 0.00 O ATOM 34 CB GLU A 4 -7.785 0.447 1.908 1.00 0.00 C ATOM 35 CG GLU A 4 -8.433 1.280 3.016 1.00 0.00 C ATOM 36 CD GLU A 4 -9.094 2.518 2.406 1.00 0.00 C ATOM 37 OE1 GLU A 4 -8.380 3.467 2.124 1.00 0.00 O ATOM 38 OE2 GLU A 4 -10.300 2.495 2.229 1.00 0.00 O ATOM 39 H GLU A 4 -5.293 0.188 1.692 1.00 0.00 H ATOM 40 HA GLU A 4 -7.326 -0.850 3.562 1.00 0.00 H ATOM 41 HB2 GLU A 4 -7.083 1.059 1.360 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.551 0.088 1.237 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.179 0.686 3.523 1.00 0.00 H ATOM 44 HG3 GLU A 4 -7.678 1.590 3.723 1.00 0.00 H ATOM 45 N ILE A 5 -6.333 -2.641 1.212 1.00 0.00 N ATOM 46 CA ILE A 5 -6.540 -3.894 0.439 1.00 0.00 C ATOM 47 C ILE A 5 -5.411 -4.879 0.750 1.00 0.00 C ATOM 48 O ILE A 5 -4.252 -4.571 0.555 1.00 0.00 O ATOM 49 CB ILE A 5 -6.483 -3.460 -1.025 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.652 -2.519 -1.330 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.574 -4.690 -1.924 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.116 -1.216 -1.925 1.00 0.00 C ATOM 53 H ILE A 5 -5.426 -2.280 1.317 1.00 0.00 H ATOM 54 HA ILE A 5 -7.501 -4.327 0.663 1.00 0.00 H ATOM 55 HB ILE A 5 -5.550 -2.948 -1.212 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.317 -2.992 -2.038 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.188 -2.304 -0.420 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.890 -5.446 -1.568 1.00 0.00 H ATOM 59 HG22 ILE A 5 -6.315 -4.416 -2.935 1.00 0.00 H ATOM 60 HG23 ILE A 5 -7.582 -5.076 -1.901 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.134 -1.386 -2.341 1.00 0.00 H ATOM 62 HD12 ILE A 5 -7.053 -0.467 -1.150 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.783 -0.874 -2.703 1.00 0.00 H ATOM 64 N PRO A 6 -5.786 -6.032 1.227 1.00 0.00 N ATOM 65 CA PRO A 6 -4.783 -7.066 1.568 1.00 0.00 C ATOM 66 C PRO A 6 -4.165 -7.646 0.296 1.00 0.00 C ATOM 67 O PRO A 6 -3.008 -8.012 0.268 1.00 0.00 O ATOM 68 CB PRO A 6 -5.592 -8.117 2.323 1.00 0.00 C ATOM 69 CG PRO A 6 -6.997 -7.938 1.843 1.00 0.00 C ATOM 70 CD PRO A 6 -7.156 -6.482 1.488 1.00 0.00 C ATOM 71 HA PRO A 6 -4.019 -6.654 2.207 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.232 -9.110 2.083 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.540 -7.943 3.386 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.170 -8.555 0.971 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.691 -8.200 2.626 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.771 -6.374 0.604 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.577 -5.933 2.315 1.00 0.00 H ATOM 78 N ALA A 7 -4.922 -7.725 -0.760 1.00 0.00 N ATOM 79 CA ALA A 7 -4.366 -8.270 -2.025 1.00 0.00 C ATOM 80 C ALA A 7 -3.123 -7.476 -2.414 1.00 0.00 C ATOM 81 O ALA A 7 -2.178 -8.004 -2.964 1.00 0.00 O ATOM 82 CB ALA A 7 -5.467 -8.080 -3.064 1.00 0.00 C ATOM 83 H ALA A 7 -5.847 -7.422 -0.725 1.00 0.00 H ATOM 84 HA ALA A 7 -4.136 -9.312 -1.912 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.113 -7.423 -3.845 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.336 -7.645 -2.594 1.00 0.00 H ATOM 87 HB3 ALA A 7 -5.728 -9.038 -3.491 1.00 0.00 H ATOM 88 N CYS A 8 -3.120 -6.206 -2.121 1.00 0.00 N ATOM 89 CA CYS A 8 -1.941 -5.363 -2.459 1.00 0.00 C ATOM 90 C CYS A 8 -1.012 -5.271 -1.253 1.00 0.00 C ATOM 91 O CYS A 8 0.192 -5.264 -1.383 1.00 0.00 O ATOM 92 CB CYS A 8 -2.519 -3.992 -2.809 1.00 0.00 C ATOM 93 SG CYS A 8 -1.236 -2.973 -3.578 1.00 0.00 S ATOM 94 H CYS A 8 -3.894 -5.807 -1.672 1.00 0.00 H ATOM 95 HA CYS A 8 -1.417 -5.774 -3.305 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.342 -4.113 -3.497 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.870 -3.510 -1.909 1.00 0.00 H ATOM 98 N ILE A 9 -1.560 -5.205 -0.076 1.00 0.00 N ATOM 99 CA ILE A 9 -0.706 -5.125 1.130 1.00 0.00 C ATOM 100 C ILE A 9 -0.072 -6.496 1.396 1.00 0.00 C ATOM 101 O ILE A 9 1.073 -6.603 1.786 1.00 0.00 O ATOM 102 CB ILE A 9 -1.655 -4.679 2.260 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.001 -3.545 3.049 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.967 -5.835 3.218 1.00 0.00 C ATOM 105 CD1 ILE A 9 0.325 -4.032 3.636 1.00 0.00 C ATOM 106 H ILE A 9 -2.528 -5.212 0.016 1.00 0.00 H ATOM 107 HA ILE A 9 0.053 -4.389 0.978 1.00 0.00 H ATOM 108 HB ILE A 9 -2.576 -4.321 1.824 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.822 -2.709 2.391 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.656 -3.240 3.850 1.00 0.00 H ATOM 111 HG21 ILE A 9 -1.103 -6.031 3.836 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.210 -6.718 2.649 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.804 -5.567 3.844 1.00 0.00 H ATOM 114 HD11 ILE A 9 1.122 -3.840 2.934 1.00 0.00 H ATOM 115 HD12 ILE A 9 0.263 -5.093 3.829 1.00 0.00 H ATOM 116 HD13 ILE A 9 0.524 -3.511 4.560 1.00 0.00 H ATOM 117 N MET A 10 -0.819 -7.543 1.179 1.00 0.00 N ATOM 118 CA MET A 10 -0.289 -8.908 1.406 1.00 0.00 C ATOM 119 C MET A 10 0.678 -9.292 0.285 1.00 0.00 C ATOM 120 O MET A 10 1.674 -9.952 0.508 1.00 0.00 O ATOM 121 CB MET A 10 -1.519 -9.816 1.390 1.00 0.00 C ATOM 122 CG MET A 10 -1.231 -11.089 2.188 1.00 0.00 C ATOM 123 SD MET A 10 -0.950 -12.466 1.048 1.00 0.00 S ATOM 124 CE MET A 10 -0.555 -13.716 2.295 1.00 0.00 C ATOM 125 H MET A 10 -1.732 -7.429 0.867 1.00 0.00 H ATOM 126 HA MET A 10 0.194 -8.960 2.358 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.356 -9.294 1.834 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.759 -10.079 0.371 1.00 0.00 H ATOM 129 HG2 MET A 10 -0.352 -10.941 2.797 1.00 0.00 H ATOM 130 HG3 MET A 10 -2.075 -11.315 2.824 1.00 0.00 H ATOM 131 HE1 MET A 10 -1.002 -13.436 3.238 1.00 0.00 H ATOM 132 HE2 MET A 10 0.518 -13.786 2.406 1.00 0.00 H ATOM 133 HE3 MET A 10 -0.945 -14.672 1.985 1.00 0.00 H ATOM 134 N ASN A 11 0.391 -8.886 -0.922 1.00 0.00 N ATOM 135 CA ASN A 11 1.295 -9.228 -2.056 1.00 0.00 C ATOM 136 C ASN A 11 2.251 -8.067 -2.336 1.00 0.00 C ATOM 137 O ASN A 11 3.329 -8.252 -2.865 1.00 0.00 O ATOM 138 CB ASN A 11 0.367 -9.462 -3.249 1.00 0.00 C ATOM 139 CG ASN A 11 -0.575 -10.629 -2.942 1.00 0.00 C ATOM 140 OD1 ASN A 11 -0.150 -11.651 -2.439 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.844 -10.522 -3.227 1.00 0.00 N ATOM 142 H ASN A 11 -0.417 -8.353 -1.080 1.00 0.00 H ATOM 143 HA ASN A 11 1.848 -10.127 -1.838 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.212 -8.570 -3.435 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.955 -9.698 -4.123 1.00 0.00 H ATOM 146 HD21 ASN A 11 -2.186 -9.698 -3.634 1.00 0.00 H ATOM 147 HD22 ASN A 11 -2.454 -11.264 -3.034 1.00 0.00 H ATOM 148 N ASN A 12 1.867 -6.870 -1.982 1.00 0.00 N ATOM 149 CA ASN A 12 2.761 -5.701 -2.224 1.00 0.00 C ATOM 150 C ASN A 12 2.910 -4.885 -0.939 1.00 0.00 C ATOM 151 O ASN A 12 2.586 -3.714 -0.904 1.00 0.00 O ATOM 152 CB ASN A 12 2.071 -4.873 -3.313 1.00 0.00 C ATOM 153 CG ASN A 12 1.483 -5.803 -4.377 1.00 0.00 C ATOM 154 OD1 ASN A 12 0.395 -5.575 -4.867 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.163 -6.850 -4.756 1.00 0.00 N ATOM 156 H ASN A 12 0.991 -6.740 -1.551 1.00 0.00 H ATOM 157 HA ASN A 12 3.728 -6.034 -2.572 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.279 -4.285 -2.870 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.791 -4.214 -3.773 1.00 0.00 H ATOM 160 HD21 ASN A 12 3.041 -7.034 -4.361 1.00 0.00 H ATOM 161 HD22 ASN A 12 1.796 -7.453 -5.437 1.00 0.00 H ATOM 162 N PRO A 13 3.397 -5.539 0.079 1.00 0.00 N ATOM 163 CA PRO A 13 3.594 -4.877 1.390 1.00 0.00 C ATOM 164 C PRO A 13 4.769 -3.900 1.320 1.00 0.00 C ATOM 165 O PRO A 13 5.002 -3.128 2.228 1.00 0.00 O ATOM 166 CB PRO A 13 3.903 -6.037 2.335 1.00 0.00 C ATOM 167 CG PRO A 13 4.449 -7.116 1.456 1.00 0.00 C ATOM 168 CD PRO A 13 3.809 -6.947 0.102 1.00 0.00 C ATOM 169 HA PRO A 13 2.695 -4.374 1.704 1.00 0.00 H ATOM 170 HB2 PRO A 13 4.638 -5.737 3.069 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.001 -6.377 2.819 1.00 0.00 H ATOM 172 HG2 PRO A 13 5.523 -7.015 1.374 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.198 -8.084 1.858 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.527 -7.149 -0.682 1.00 0.00 H ATOM 175 HD3 PRO A 13 2.948 -7.589 0.005 1.00 0.00 H ATOM 176 N ASP A 14 5.507 -3.924 0.245 1.00 0.00 N ATOM 177 CA ASP A 14 6.660 -2.996 0.115 1.00 0.00 C ATOM 178 C ASP A 14 6.187 -1.557 0.322 1.00 0.00 C ATOM 179 O ASP A 14 6.950 -0.688 0.696 1.00 0.00 O ATOM 180 CB ASP A 14 7.174 -3.193 -1.313 1.00 0.00 C ATOM 181 CG ASP A 14 6.067 -2.846 -2.310 1.00 0.00 C ATOM 182 OD1 ASP A 14 5.700 -1.684 -2.377 1.00 0.00 O ATOM 183 OD2 ASP A 14 5.604 -3.747 -2.989 1.00 0.00 O ATOM 184 H ASP A 14 5.304 -4.549 -0.475 1.00 0.00 H ATOM 185 HA ASP A 14 7.426 -3.252 0.823 1.00 0.00 H ATOM 186 HB2 ASP A 14 8.025 -2.549 -1.481 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.468 -4.223 -1.450 1.00 0.00 H ATOM 188 N TYR A 15 4.929 -1.303 0.086 1.00 0.00 N ATOM 189 CA TYR A 15 4.398 0.077 0.272 1.00 0.00 C ATOM 190 C TYR A 15 3.735 0.205 1.644 1.00 0.00 C ATOM 191 O TYR A 15 3.956 1.158 2.366 1.00 0.00 O ATOM 192 CB TYR A 15 3.370 0.262 -0.845 1.00 0.00 C ATOM 193 CG TYR A 15 3.236 1.731 -1.170 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.378 2.541 -0.414 1.00 0.00 C ATOM 195 CD2 TYR A 15 3.970 2.284 -2.226 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.254 3.902 -0.717 1.00 0.00 C ATOM 197 CE2 TYR A 15 3.846 3.646 -2.528 1.00 0.00 C ATOM 198 CZ TYR A 15 2.988 4.456 -1.772 1.00 0.00 C ATOM 199 OH TYR A 15 2.866 5.797 -2.069 1.00 0.00 O ATOM 200 H TYR A 15 4.333 -2.023 -0.213 1.00 0.00 H ATOM 201 HA TYR A 15 5.188 0.799 0.168 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.694 -0.274 -1.726 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.414 -0.122 -0.521 1.00 0.00 H ATOM 204 HD1 TYR A 15 1.812 2.114 0.399 1.00 0.00 H ATOM 205 HD2 TYR A 15 4.632 1.661 -2.809 1.00 0.00 H ATOM 206 HE1 TYR A 15 1.593 4.526 -0.133 1.00 0.00 H ATOM 207 HE2 TYR A 15 4.413 4.074 -3.343 1.00 0.00 H ATOM 208 HH TYR A 15 1.973 5.952 -2.387 1.00 0.00 H ATOM 209 N CYS A 16 2.927 -0.749 2.011 1.00 0.00 N ATOM 210 CA CYS A 16 2.251 -0.684 3.338 1.00 0.00 C ATOM 211 C CYS A 16 3.032 -1.501 4.370 1.00 0.00 C ATOM 212 O CYS A 16 2.531 -2.469 4.908 1.00 0.00 O ATOM 213 CB CYS A 16 0.869 -1.294 3.107 1.00 0.00 C ATOM 214 SG CYS A 16 -0.273 -0.004 2.557 1.00 0.00 S ATOM 215 H CYS A 16 2.764 -1.508 1.412 1.00 0.00 H ATOM 216 HA CYS A 16 2.152 0.340 3.662 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.935 -2.063 2.351 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.507 -1.725 4.029 1.00 0.00 H HETATM 219 N NH2 A 17 4.253 -1.150 4.670 1.00 0.00 N HETATM 220 HN1 NH2 A 17 4.658 -0.370 4.238 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.763 -1.667 5.328 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 15 ATOM 1 N GLY A 1 -3.695 2.744 -3.793 1.00 0.00 N ATOM 2 CA GLY A 1 -3.438 2.452 -2.355 1.00 0.00 C ATOM 3 C GLY A 1 -3.339 0.940 -2.148 1.00 0.00 C ATOM 4 O GLY A 1 -3.691 0.162 -3.013 1.00 0.00 O ATOM 5 H1 GLY A 1 -2.850 3.174 -4.217 1.00 0.00 H ATOM 6 H2 GLY A 1 -4.498 3.401 -3.875 1.00 0.00 H ATOM 7 H3 GLY A 1 -3.918 1.860 -4.292 1.00 0.00 H ATOM 8 HA2 GLY A 1 -2.512 2.920 -2.053 1.00 0.00 H ATOM 9 HA3 GLY A 1 -4.249 2.840 -1.758 1.00 0.00 H ATOM 10 N CYS A 2 -2.863 0.517 -1.010 1.00 0.00 N ATOM 11 CA CYS A 2 -2.743 -0.947 -0.750 1.00 0.00 C ATOM 12 C CYS A 2 -3.054 -1.253 0.715 1.00 0.00 C ATOM 13 O CYS A 2 -3.665 -2.254 1.034 1.00 0.00 O ATOM 14 CB CYS A 2 -1.291 -1.294 -1.077 1.00 0.00 C ATOM 15 SG CYS A 2 -1.039 -1.197 -2.867 1.00 0.00 S ATOM 16 H CYS A 2 -2.585 1.160 -0.325 1.00 0.00 H ATOM 17 HA CYS A 2 -3.407 -1.496 -1.397 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.634 -0.595 -0.582 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.075 -2.296 -0.736 1.00 0.00 H ATOM 20 N CYS A 3 -2.643 -0.398 1.609 1.00 0.00 N ATOM 21 CA CYS A 3 -2.921 -0.640 3.048 1.00 0.00 C ATOM 22 C CYS A 3 -4.413 -0.886 3.243 1.00 0.00 C ATOM 23 O CYS A 3 -4.830 -1.594 4.138 1.00 0.00 O ATOM 24 CB CYS A 3 -2.485 0.638 3.765 1.00 0.00 C ATOM 25 SG CYS A 3 -0.719 0.546 4.143 1.00 0.00 S ATOM 26 H CYS A 3 -2.159 0.401 1.334 1.00 0.00 H ATOM 27 HA CYS A 3 -2.350 -1.479 3.400 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.673 1.489 3.127 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.046 0.746 4.681 1.00 0.00 H ATOM 30 N GLU A 4 -5.219 -0.315 2.395 1.00 0.00 N ATOM 31 CA GLU A 4 -6.686 -0.523 2.507 1.00 0.00 C ATOM 32 C GLU A 4 -7.068 -1.802 1.764 1.00 0.00 C ATOM 33 O GLU A 4 -8.227 -2.151 1.660 1.00 0.00 O ATOM 34 CB GLU A 4 -7.313 0.700 1.835 1.00 0.00 C ATOM 35 CG GLU A 4 -8.555 1.137 2.616 1.00 0.00 C ATOM 36 CD GLU A 4 -9.103 2.434 2.017 1.00 0.00 C ATOM 37 OE1 GLU A 4 -8.306 3.236 1.559 1.00 0.00 O ATOM 38 OE2 GLU A 4 -10.312 2.602 2.025 1.00 0.00 O ATOM 39 H GLU A 4 -4.855 0.238 1.671 1.00 0.00 H ATOM 40 HA GLU A 4 -6.986 -0.576 3.542 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.595 1.507 1.819 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.596 0.450 0.825 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.307 0.364 2.555 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.290 1.304 3.650 1.00 0.00 H ATOM 45 N ILE A 5 -6.093 -2.505 1.246 1.00 0.00 N ATOM 46 CA ILE A 5 -6.384 -3.762 0.506 1.00 0.00 C ATOM 47 C ILE A 5 -5.289 -4.791 0.789 1.00 0.00 C ATOM 48 O ILE A 5 -4.119 -4.512 0.618 1.00 0.00 O ATOM 49 CB ILE A 5 -6.366 -3.366 -0.972 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.577 -2.488 -1.291 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.415 -4.625 -1.835 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.096 -1.124 -1.786 1.00 0.00 C ATOM 53 H ILE A 5 -5.161 -2.206 1.348 1.00 0.00 H ATOM 54 HA ILE A 5 -7.354 -4.148 0.776 1.00 0.00 H ATOM 55 HB ILE A 5 -5.457 -2.822 -1.185 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.172 -2.961 -2.058 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.173 -2.356 -0.403 1.00 0.00 H ATOM 58 HG21 ILE A 5 -6.643 -5.478 -1.214 1.00 0.00 H ATOM 59 HG22 ILE A 5 -5.457 -4.772 -2.311 1.00 0.00 H ATOM 60 HG23 ILE A 5 -7.180 -4.513 -2.589 1.00 0.00 H ATOM 61 HD11 ILE A 5 -7.219 -1.066 -2.857 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.052 -0.998 -1.537 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.675 -0.344 -1.314 1.00 0.00 H ATOM 64 N PRO A 6 -5.703 -5.951 1.213 1.00 0.00 N ATOM 65 CA PRO A 6 -4.737 -7.028 1.520 1.00 0.00 C ATOM 66 C PRO A 6 -4.126 -7.572 0.228 1.00 0.00 C ATOM 67 O PRO A 6 -2.969 -7.935 0.181 1.00 0.00 O ATOM 68 CB PRO A 6 -5.589 -8.087 2.217 1.00 0.00 C ATOM 69 CG PRO A 6 -6.982 -7.841 1.729 1.00 0.00 C ATOM 70 CD PRO A 6 -7.091 -6.366 1.443 1.00 0.00 C ATOM 71 HA PRO A 6 -3.969 -6.672 2.186 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.259 -9.078 1.937 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.546 -7.961 3.287 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.163 -8.410 0.827 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.695 -8.117 2.490 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.693 -6.195 0.559 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.502 -5.842 2.291 1.00 0.00 H ATOM 78 N ALA A 7 -4.892 -7.618 -0.826 1.00 0.00 N ATOM 79 CA ALA A 7 -4.353 -8.126 -2.113 1.00 0.00 C ATOM 80 C ALA A 7 -3.055 -7.399 -2.442 1.00 0.00 C ATOM 81 O ALA A 7 -2.176 -7.928 -3.092 1.00 0.00 O ATOM 82 CB ALA A 7 -5.420 -7.803 -3.153 1.00 0.00 C ATOM 83 H ALA A 7 -5.814 -7.311 -0.772 1.00 0.00 H ATOM 84 HA ALA A 7 -4.194 -9.188 -2.059 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.874 -6.852 -2.918 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.174 -8.576 -3.146 1.00 0.00 H ATOM 87 HB3 ALA A 7 -4.965 -7.753 -4.131 1.00 0.00 H ATOM 88 N CYS A 8 -2.930 -6.185 -1.990 1.00 0.00 N ATOM 89 CA CYS A 8 -1.687 -5.414 -2.267 1.00 0.00 C ATOM 90 C CYS A 8 -0.806 -5.385 -1.019 1.00 0.00 C ATOM 91 O CYS A 8 0.402 -5.401 -1.099 1.00 0.00 O ATOM 92 CB CYS A 8 -2.152 -4.004 -2.630 1.00 0.00 C ATOM 93 SG CYS A 8 -0.799 -3.118 -3.441 1.00 0.00 S ATOM 94 H CYS A 8 -3.654 -5.782 -1.464 1.00 0.00 H ATOM 95 HA CYS A 8 -1.152 -5.852 -3.091 1.00 0.00 H ATOM 96 HB2 CYS A 8 -2.996 -4.066 -3.301 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.442 -3.477 -1.733 1.00 0.00 H ATOM 98 N ILE A 9 -1.399 -5.342 0.135 1.00 0.00 N ATOM 99 CA ILE A 9 -0.585 -5.312 1.370 1.00 0.00 C ATOM 100 C ILE A 9 -0.014 -6.710 1.651 1.00 0.00 C ATOM 101 O ILE A 9 1.085 -6.854 2.149 1.00 0.00 O ATOM 102 CB ILE A 9 -1.547 -4.826 2.471 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.858 -3.738 3.299 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.956 -5.978 3.396 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.691 -3.436 4.547 1.00 0.00 C ATOM 106 H ILE A 9 -2.369 -5.326 0.190 1.00 0.00 H ATOM 107 HA ILE A 9 0.211 -4.612 1.245 1.00 0.00 H ATOM 108 HB ILE A 9 -2.432 -4.412 2.008 1.00 0.00 H ATOM 109 HG12 ILE A 9 0.125 -4.077 3.594 1.00 0.00 H ATOM 110 HG13 ILE A 9 -0.764 -2.840 2.706 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.124 -6.867 2.809 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.865 -5.715 3.918 1.00 0.00 H ATOM 113 HG23 ILE A 9 -1.170 -6.161 4.112 1.00 0.00 H ATOM 114 HD11 ILE A 9 -1.431 -2.459 4.926 1.00 0.00 H ATOM 115 HD12 ILE A 9 -1.491 -4.181 5.302 1.00 0.00 H ATOM 116 HD13 ILE A 9 -2.741 -3.454 4.291 1.00 0.00 H ATOM 117 N MET A 10 -0.754 -7.736 1.333 1.00 0.00 N ATOM 118 CA MET A 10 -0.264 -9.116 1.574 1.00 0.00 C ATOM 119 C MET A 10 0.677 -9.547 0.451 1.00 0.00 C ATOM 120 O MET A 10 1.610 -10.297 0.659 1.00 0.00 O ATOM 121 CB MET A 10 -1.514 -9.993 1.570 1.00 0.00 C ATOM 122 CG MET A 10 -2.319 -9.752 2.848 1.00 0.00 C ATOM 123 SD MET A 10 -1.490 -10.551 4.244 1.00 0.00 S ATOM 124 CE MET A 10 -1.806 -12.262 3.746 1.00 0.00 C ATOM 125 H MET A 10 -1.630 -7.599 0.937 1.00 0.00 H ATOM 126 HA MET A 10 0.223 -9.172 2.524 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.119 -9.751 0.708 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.222 -11.031 1.522 1.00 0.00 H ATOM 129 HG2 MET A 10 -2.393 -8.691 3.032 1.00 0.00 H ATOM 130 HG3 MET A 10 -3.310 -10.166 2.733 1.00 0.00 H ATOM 131 HE1 MET A 10 -1.828 -12.893 4.623 1.00 0.00 H ATOM 132 HE2 MET A 10 -1.024 -12.592 3.076 1.00 0.00 H ATOM 133 HE3 MET A 10 -2.757 -12.321 3.240 1.00 0.00 H ATOM 134 N ASN A 11 0.429 -9.087 -0.743 1.00 0.00 N ATOM 135 CA ASN A 11 1.296 -9.478 -1.888 1.00 0.00 C ATOM 136 C ASN A 11 2.230 -8.319 -2.258 1.00 0.00 C ATOM 137 O ASN A 11 3.257 -8.516 -2.878 1.00 0.00 O ATOM 138 CB ASN A 11 0.306 -9.810 -3.015 1.00 0.00 C ATOM 139 CG ASN A 11 0.857 -9.371 -4.375 1.00 0.00 C ATOM 140 OD1 ASN A 11 2.016 -9.579 -4.674 1.00 0.00 O ATOM 141 ND2 ASN A 11 0.063 -8.766 -5.215 1.00 0.00 N ATOM 142 H ASN A 11 -0.335 -8.489 -0.888 1.00 0.00 H ATOM 143 HA ASN A 11 1.872 -10.353 -1.636 1.00 0.00 H ATOM 144 HB2 ASN A 11 0.134 -10.876 -3.030 1.00 0.00 H ATOM 145 HB3 ASN A 11 -0.627 -9.303 -2.829 1.00 0.00 H ATOM 146 HD21 ASN A 11 -0.872 -8.599 -4.972 1.00 0.00 H ATOM 147 HD22 ASN A 11 0.401 -8.480 -6.088 1.00 0.00 H ATOM 148 N ASN A 12 1.893 -7.116 -1.880 1.00 0.00 N ATOM 149 CA ASN A 12 2.785 -5.966 -2.211 1.00 0.00 C ATOM 150 C ASN A 12 3.047 -5.127 -0.958 1.00 0.00 C ATOM 151 O ASN A 12 2.578 -4.012 -0.845 1.00 0.00 O ATOM 152 CB ASN A 12 2.036 -5.153 -3.270 1.00 0.00 C ATOM 153 CG ASN A 12 1.473 -6.097 -4.333 1.00 0.00 C ATOM 154 OD1 ASN A 12 0.286 -6.110 -4.587 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.284 -6.896 -4.973 1.00 0.00 N ATOM 156 H ASN A 12 1.062 -6.969 -1.369 1.00 0.00 H ATOM 157 HA ASN A 12 3.718 -6.325 -2.618 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.228 -4.608 -2.806 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.717 -4.457 -3.735 1.00 0.00 H ATOM 160 HD21 ASN A 12 3.243 -6.886 -4.769 1.00 0.00 H ATOM 161 HD22 ASN A 12 1.934 -7.504 -5.655 1.00 0.00 H ATOM 162 N PRO A 13 3.794 -5.705 -0.057 1.00 0.00 N ATOM 163 CA PRO A 13 4.134 -5.019 1.213 1.00 0.00 C ATOM 164 C PRO A 13 5.145 -3.900 0.959 1.00 0.00 C ATOM 165 O PRO A 13 5.417 -3.086 1.820 1.00 0.00 O ATOM 166 CB PRO A 13 4.752 -6.126 2.064 1.00 0.00 C ATOM 167 CG PRO A 13 5.270 -7.125 1.081 1.00 0.00 C ATOM 168 CD PRO A 13 4.386 -7.045 -0.137 1.00 0.00 C ATOM 169 HA PRO A 13 3.248 -4.634 1.692 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.559 -5.730 2.665 1.00 0.00 H ATOM 171 HB3 PRO A 13 4.002 -6.581 2.693 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.291 -6.884 0.815 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.222 -8.118 1.500 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.975 -7.150 -1.038 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.615 -7.797 -0.095 1.00 0.00 H ATOM 176 N ASP A 14 5.705 -3.849 -0.219 1.00 0.00 N ATOM 177 CA ASP A 14 6.692 -2.783 -0.527 1.00 0.00 C ATOM 178 C ASP A 14 6.078 -1.414 -0.237 1.00 0.00 C ATOM 179 O ASP A 14 6.770 -0.428 -0.081 1.00 0.00 O ATOM 180 CB ASP A 14 6.988 -2.934 -2.019 1.00 0.00 C ATOM 181 CG ASP A 14 5.671 -3.004 -2.795 1.00 0.00 C ATOM 182 OD1 ASP A 14 4.725 -2.356 -2.378 1.00 0.00 O ATOM 183 OD2 ASP A 14 5.631 -3.705 -3.793 1.00 0.00 O ATOM 184 H ASP A 14 5.475 -4.508 -0.898 1.00 0.00 H ATOM 185 HA ASP A 14 7.590 -2.929 0.045 1.00 0.00 H ATOM 186 HB2 ASP A 14 7.564 -2.086 -2.360 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.550 -3.841 -2.186 1.00 0.00 H ATOM 188 N TYR A 15 4.777 -1.351 -0.168 1.00 0.00 N ATOM 189 CA TYR A 15 4.104 -0.051 0.109 1.00 0.00 C ATOM 190 C TYR A 15 3.612 -0.003 1.557 1.00 0.00 C ATOM 191 O TYR A 15 3.715 1.006 2.225 1.00 0.00 O ATOM 192 CB TYR A 15 2.923 -0.008 -0.860 1.00 0.00 C ATOM 193 CG TYR A 15 2.525 1.427 -1.106 1.00 0.00 C ATOM 194 CD1 TYR A 15 3.301 2.234 -1.947 1.00 0.00 C ATOM 195 CD2 TYR A 15 1.382 1.950 -0.492 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.931 3.566 -2.175 1.00 0.00 C ATOM 197 CE2 TYR A 15 1.012 3.281 -0.719 1.00 0.00 C ATOM 198 CZ TYR A 15 1.787 4.089 -1.561 1.00 0.00 C ATOM 199 OH TYR A 15 1.422 5.400 -1.784 1.00 0.00 O ATOM 200 H TYR A 15 4.242 -2.162 -0.300 1.00 0.00 H ATOM 201 HA TYR A 15 4.772 0.768 -0.089 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.208 -0.468 -1.795 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.088 -0.544 -0.434 1.00 0.00 H ATOM 204 HD1 TYR A 15 4.184 1.831 -2.421 1.00 0.00 H ATOM 205 HD2 TYR A 15 0.785 1.326 0.156 1.00 0.00 H ATOM 206 HE1 TYR A 15 3.529 4.189 -2.824 1.00 0.00 H ATOM 207 HE2 TYR A 15 0.129 3.684 -0.246 1.00 0.00 H ATOM 208 HH TYR A 15 0.551 5.535 -1.405 1.00 0.00 H ATOM 209 N CYS A 16 3.077 -1.087 2.044 1.00 0.00 N ATOM 210 CA CYS A 16 2.577 -1.104 3.449 1.00 0.00 C ATOM 211 C CYS A 16 3.471 -1.990 4.321 1.00 0.00 C ATOM 212 O CYS A 16 4.502 -1.559 4.798 1.00 0.00 O ATOM 213 CB CYS A 16 1.166 -1.686 3.358 1.00 0.00 C ATOM 214 SG CYS A 16 0.065 -0.475 2.586 1.00 0.00 S ATOM 215 H CYS A 16 3.003 -1.888 1.487 1.00 0.00 H ATOM 216 HA CYS A 16 2.537 -0.102 3.846 1.00 0.00 H ATOM 217 HB2 CYS A 16 1.185 -2.587 2.762 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.807 -1.918 4.351 1.00 0.00 H HETATM 219 N NH2 A 17 3.113 -3.223 4.558 1.00 0.00 N HETATM 220 HN1 NH2 A 17 2.282 -3.574 4.175 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.674 -3.797 5.120 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 16 ATOM 1 N GLY A 1 -0.454 2.727 -2.117 1.00 0.00 N ATOM 2 CA GLY A 1 -0.892 2.464 -0.717 1.00 0.00 C ATOM 3 C GLY A 1 -1.213 0.977 -0.555 1.00 0.00 C ATOM 4 O GLY A 1 -0.451 0.229 0.024 1.00 0.00 O ATOM 5 H1 GLY A 1 0.530 2.415 -2.239 1.00 0.00 H ATOM 6 H2 GLY A 1 -0.523 3.747 -2.316 1.00 0.00 H ATOM 7 H3 GLY A 1 -1.064 2.204 -2.776 1.00 0.00 H ATOM 8 HA2 GLY A 1 -0.100 2.742 -0.034 1.00 0.00 H ATOM 9 HA3 GLY A 1 -1.775 3.046 -0.500 1.00 0.00 H ATOM 10 N CYS A 2 -2.344 0.553 -1.057 1.00 0.00 N ATOM 11 CA CYS A 2 -2.741 -0.884 -0.946 1.00 0.00 C ATOM 12 C CYS A 2 -2.878 -1.294 0.522 1.00 0.00 C ATOM 13 O CYS A 2 -3.017 -2.458 0.841 1.00 0.00 O ATOM 14 CB CYS A 2 -1.617 -1.671 -1.628 1.00 0.00 C ATOM 15 SG CYS A 2 -1.763 -1.489 -3.422 1.00 0.00 S ATOM 16 H CYS A 2 -2.939 1.185 -1.508 1.00 0.00 H ATOM 17 HA CYS A 2 -3.671 -1.054 -1.466 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.661 -1.293 -1.307 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.697 -2.714 -1.364 1.00 0.00 H ATOM 20 N CYS A 3 -2.837 -0.348 1.418 1.00 0.00 N ATOM 21 CA CYS A 3 -2.959 -0.682 2.858 1.00 0.00 C ATOM 22 C CYS A 3 -4.389 -1.116 3.177 1.00 0.00 C ATOM 23 O CYS A 3 -4.620 -1.994 3.984 1.00 0.00 O ATOM 24 CB CYS A 3 -2.606 0.605 3.607 1.00 0.00 C ATOM 25 SG CYS A 3 -0.845 0.972 3.396 1.00 0.00 S ATOM 26 H CYS A 3 -2.721 0.574 1.146 1.00 0.00 H ATOM 27 HA CYS A 3 -2.268 -1.458 3.108 1.00 0.00 H ATOM 28 HB2 CYS A 3 -3.192 1.422 3.212 1.00 0.00 H ATOM 29 HB3 CYS A 3 -2.825 0.481 4.656 1.00 0.00 H ATOM 30 N GLU A 4 -5.349 -0.518 2.533 1.00 0.00 N ATOM 31 CA GLU A 4 -6.761 -0.910 2.782 1.00 0.00 C ATOM 32 C GLU A 4 -7.099 -2.121 1.913 1.00 0.00 C ATOM 33 O GLU A 4 -8.233 -2.552 1.835 1.00 0.00 O ATOM 34 CB GLU A 4 -7.591 0.307 2.364 1.00 0.00 C ATOM 35 CG GLU A 4 -8.941 0.277 3.083 1.00 0.00 C ATOM 36 CD GLU A 4 -8.799 0.910 4.467 1.00 0.00 C ATOM 37 OE1 GLU A 4 -7.953 0.457 5.221 1.00 0.00 O ATOM 38 OE2 GLU A 4 -9.540 1.837 4.751 1.00 0.00 O ATOM 39 H GLU A 4 -5.140 0.173 1.873 1.00 0.00 H ATOM 40 HA GLU A 4 -6.919 -1.130 3.825 1.00 0.00 H ATOM 41 HB2 GLU A 4 -7.063 1.211 2.629 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.752 0.282 1.296 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.667 0.829 2.506 1.00 0.00 H ATOM 44 HG3 GLU A 4 -9.271 -0.747 3.189 1.00 0.00 H ATOM 45 N ILE A 5 -6.111 -2.673 1.261 1.00 0.00 N ATOM 46 CA ILE A 5 -6.344 -3.854 0.391 1.00 0.00 C ATOM 47 C ILE A 5 -5.241 -4.881 0.632 1.00 0.00 C ATOM 48 O ILE A 5 -4.095 -4.650 0.300 1.00 0.00 O ATOM 49 CB ILE A 5 -6.269 -3.309 -1.035 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.317 -2.210 -1.222 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.533 -4.436 -2.030 1.00 0.00 C ATOM 52 CD1 ILE A 5 -6.617 -0.907 -1.614 1.00 0.00 C ATOM 53 H ILE A 5 -5.203 -2.309 1.344 1.00 0.00 H ATOM 54 HA ILE A 5 -7.316 -4.282 0.580 1.00 0.00 H ATOM 55 HB ILE A 5 -5.283 -2.901 -1.211 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.007 -2.499 -2.002 1.00 0.00 H ATOM 57 HG13 ILE A 5 -7.856 -2.062 -0.299 1.00 0.00 H ATOM 58 HG21 ILE A 5 -7.596 -4.610 -2.103 1.00 0.00 H ATOM 59 HG22 ILE A 5 -6.041 -5.335 -1.693 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.148 -4.155 -2.999 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.802 -0.159 -0.859 1.00 0.00 H ATOM 62 HD12 ILE A 5 -7.001 -0.565 -2.563 1.00 0.00 H ATOM 63 HD13 ILE A 5 -5.555 -1.081 -1.696 1.00 0.00 H ATOM 64 N PRO A 6 -5.620 -5.984 1.210 1.00 0.00 N ATOM 65 CA PRO A 6 -4.643 -7.054 1.506 1.00 0.00 C ATOM 66 C PRO A 6 -4.123 -7.678 0.212 1.00 0.00 C ATOM 67 O PRO A 6 -2.940 -7.880 0.046 1.00 0.00 O ATOM 68 CB PRO A 6 -5.443 -8.054 2.337 1.00 0.00 C ATOM 69 CG PRO A 6 -6.868 -7.811 1.958 1.00 0.00 C ATOM 70 CD PRO A 6 -6.978 -6.343 1.633 1.00 0.00 C ATOM 71 HA PRO A 6 -3.829 -6.664 2.088 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.152 -9.066 2.090 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.305 -7.868 3.390 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.128 -8.407 1.093 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.518 -8.051 2.784 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.686 -6.183 0.832 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.255 -5.778 2.510 1.00 0.00 H ATOM 78 N ALA A 7 -4.989 -7.971 -0.712 1.00 0.00 N ATOM 79 CA ALA A 7 -4.524 -8.570 -1.990 1.00 0.00 C ATOM 80 C ALA A 7 -3.340 -7.774 -2.514 1.00 0.00 C ATOM 81 O ALA A 7 -2.457 -8.297 -3.159 1.00 0.00 O ATOM 82 CB ALA A 7 -5.699 -8.449 -2.951 1.00 0.00 C ATOM 83 H ALA A 7 -5.932 -7.787 -0.573 1.00 0.00 H ATOM 84 HA ALA A 7 -4.260 -9.603 -1.849 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.391 -8.777 -3.935 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.018 -7.420 -2.998 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.512 -9.067 -2.605 1.00 0.00 H ATOM 88 N CYS A 8 -3.321 -6.504 -2.234 1.00 0.00 N ATOM 89 CA CYS A 8 -2.192 -5.661 -2.711 1.00 0.00 C ATOM 90 C CYS A 8 -1.151 -5.517 -1.607 1.00 0.00 C ATOM 91 O CYS A 8 0.034 -5.560 -1.857 1.00 0.00 O ATOM 92 CB CYS A 8 -2.811 -4.308 -3.066 1.00 0.00 C ATOM 93 SG CYS A 8 -1.669 -3.382 -4.124 1.00 0.00 S ATOM 94 H CYS A 8 -4.051 -6.108 -1.708 1.00 0.00 H ATOM 95 HA CYS A 8 -1.743 -6.104 -3.583 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.741 -4.465 -3.595 1.00 0.00 H ATOM 97 HB3 CYS A 8 -3.001 -3.750 -2.163 1.00 0.00 H ATOM 98 N ILE A 9 -1.570 -5.358 -0.383 1.00 0.00 N ATOM 99 CA ILE A 9 -0.578 -5.237 0.708 1.00 0.00 C ATOM 100 C ILE A 9 0.053 -6.610 0.967 1.00 0.00 C ATOM 101 O ILE A 9 1.254 -6.738 1.091 1.00 0.00 O ATOM 102 CB ILE A 9 -1.352 -4.682 1.916 1.00 0.00 C ATOM 103 CG1 ILE A 9 -0.640 -3.425 2.407 1.00 0.00 C ATOM 104 CG2 ILE A 9 -1.421 -5.705 3.058 1.00 0.00 C ATOM 105 CD1 ILE A 9 -0.443 -2.473 1.228 1.00 0.00 C ATOM 106 H ILE A 9 -2.520 -5.325 -0.187 1.00 0.00 H ATOM 107 HA ILE A 9 0.177 -4.542 0.416 1.00 0.00 H ATOM 108 HB ILE A 9 -2.350 -4.420 1.607 1.00 0.00 H ATOM 109 HG12 ILE A 9 -1.237 -2.948 3.168 1.00 0.00 H ATOM 110 HG13 ILE A 9 0.322 -3.691 2.817 1.00 0.00 H ATOM 111 HG21 ILE A 9 -1.741 -5.213 3.964 1.00 0.00 H ATOM 112 HG22 ILE A 9 -0.445 -6.141 3.208 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.126 -6.482 2.802 1.00 0.00 H ATOM 114 HD11 ILE A 9 0.604 -2.432 0.969 1.00 0.00 H ATOM 115 HD12 ILE A 9 -0.784 -1.486 1.502 1.00 0.00 H ATOM 116 HD13 ILE A 9 -1.009 -2.828 0.378 1.00 0.00 H ATOM 117 N MET A 10 -0.746 -7.640 1.018 1.00 0.00 N ATOM 118 CA MET A 10 -0.188 -9.000 1.232 1.00 0.00 C ATOM 119 C MET A 10 0.652 -9.386 0.015 1.00 0.00 C ATOM 120 O MET A 10 1.703 -9.987 0.131 1.00 0.00 O ATOM 121 CB MET A 10 -1.394 -9.931 1.357 1.00 0.00 C ATOM 122 CG MET A 10 -2.016 -9.794 2.749 1.00 0.00 C ATOM 123 SD MET A 10 -1.922 -11.385 3.607 1.00 0.00 S ATOM 124 CE MET A 10 -2.083 -10.749 5.292 1.00 0.00 C ATOM 125 H MET A 10 -1.704 -7.521 0.897 1.00 0.00 H ATOM 126 HA MET A 10 0.397 -9.023 2.127 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.125 -9.675 0.606 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.071 -10.950 1.209 1.00 0.00 H ATOM 129 HG2 MET A 10 -1.477 -9.047 3.314 1.00 0.00 H ATOM 130 HG3 MET A 10 -3.051 -9.497 2.654 1.00 0.00 H ATOM 131 HE1 MET A 10 -2.945 -11.199 5.767 1.00 0.00 H ATOM 132 HE2 MET A 10 -2.204 -9.675 5.261 1.00 0.00 H ATOM 133 HE3 MET A 10 -1.197 -10.993 5.857 1.00 0.00 H ATOM 134 N ASN A 11 0.194 -9.024 -1.155 1.00 0.00 N ATOM 135 CA ASN A 11 0.951 -9.338 -2.395 1.00 0.00 C ATOM 136 C ASN A 11 2.082 -8.328 -2.544 1.00 0.00 C ATOM 137 O ASN A 11 3.182 -8.648 -2.946 1.00 0.00 O ATOM 138 CB ASN A 11 -0.070 -9.161 -3.519 1.00 0.00 C ATOM 139 CG ASN A 11 0.579 -9.498 -4.857 1.00 0.00 C ATOM 140 OD1 ASN A 11 0.609 -8.682 -5.758 1.00 0.00 O ATOM 141 ND2 ASN A 11 1.102 -10.673 -5.023 1.00 0.00 N ATOM 142 H ASN A 11 -0.648 -8.530 -1.217 1.00 0.00 H ATOM 143 HA ASN A 11 1.328 -10.347 -2.378 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.909 -9.821 -3.350 1.00 0.00 H ATOM 145 HB3 ASN A 11 -0.413 -8.137 -3.535 1.00 0.00 H ATOM 146 HD21 ASN A 11 1.073 -11.326 -4.293 1.00 0.00 H ATOM 147 HD22 ASN A 11 1.521 -10.906 -5.874 1.00 0.00 H ATOM 148 N ASN A 12 1.800 -7.104 -2.209 1.00 0.00 N ATOM 149 CA ASN A 12 2.835 -6.034 -2.308 1.00 0.00 C ATOM 150 C ASN A 12 2.873 -5.221 -1.010 1.00 0.00 C ATOM 151 O ASN A 12 2.449 -4.083 -0.979 1.00 0.00 O ATOM 152 CB ASN A 12 2.384 -5.147 -3.469 1.00 0.00 C ATOM 153 CG ASN A 12 2.223 -5.997 -4.731 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.196 -6.405 -5.332 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.024 -6.282 -5.160 1.00 0.00 N ATOM 156 H ASN A 12 0.893 -6.889 -1.884 1.00 0.00 H ATOM 157 HA ASN A 12 3.803 -6.459 -2.520 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.439 -4.685 -3.221 1.00 0.00 H ATOM 159 HB3 ASN A 12 3.124 -4.381 -3.645 1.00 0.00 H ATOM 160 HD21 ASN A 12 0.238 -5.953 -4.676 1.00 0.00 H ATOM 161 HD22 ASN A 12 0.911 -6.826 -5.968 1.00 0.00 H ATOM 162 N PRO A 13 3.377 -5.836 0.023 1.00 0.00 N ATOM 163 CA PRO A 13 3.463 -5.161 1.340 1.00 0.00 C ATOM 164 C PRO A 13 4.606 -4.141 1.351 1.00 0.00 C ATOM 165 O PRO A 13 4.871 -3.504 2.349 1.00 0.00 O ATOM 166 CB PRO A 13 3.751 -6.303 2.308 1.00 0.00 C ATOM 167 CG PRO A 13 4.403 -7.365 1.479 1.00 0.00 C ATOM 168 CD PRO A 13 3.906 -7.203 0.064 1.00 0.00 C ATOM 169 HA PRO A 13 2.527 -4.691 1.591 1.00 0.00 H ATOM 170 HB2 PRO A 13 4.419 -5.969 3.091 1.00 0.00 H ATOM 171 HB3 PRO A 13 2.832 -6.677 2.728 1.00 0.00 H ATOM 172 HG2 PRO A 13 5.478 -7.245 1.509 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.131 -8.341 1.850 1.00 0.00 H ATOM 174 HD2 PRO A 13 4.721 -7.318 -0.637 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.121 -7.912 -0.147 1.00 0.00 H ATOM 176 N ASP A 14 5.287 -3.987 0.250 1.00 0.00 N ATOM 177 CA ASP A 14 6.410 -3.015 0.199 1.00 0.00 C ATOM 178 C ASP A 14 5.909 -1.599 0.490 1.00 0.00 C ATOM 179 O ASP A 14 6.612 -0.783 1.054 1.00 0.00 O ATOM 180 CB ASP A 14 6.950 -3.108 -1.228 1.00 0.00 C ATOM 181 CG ASP A 14 8.290 -3.846 -1.220 1.00 0.00 C ATOM 182 OD1 ASP A 14 8.582 -4.491 -0.228 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.002 -3.752 -2.207 1.00 0.00 O ATOM 184 H ASP A 14 5.064 -4.511 -0.540 1.00 0.00 H ATOM 185 HA ASP A 14 7.174 -3.297 0.896 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.244 -3.646 -1.845 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.091 -2.114 -1.625 1.00 0.00 H ATOM 188 N TYR A 15 4.703 -1.300 0.102 1.00 0.00 N ATOM 189 CA TYR A 15 4.158 0.067 0.348 1.00 0.00 C ATOM 190 C TYR A 15 3.691 0.209 1.798 1.00 0.00 C ATOM 191 O TYR A 15 3.879 1.234 2.424 1.00 0.00 O ATOM 192 CB TYR A 15 2.973 0.199 -0.608 1.00 0.00 C ATOM 193 CG TYR A 15 2.723 1.658 -0.905 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.244 2.508 0.102 1.00 0.00 C ATOM 195 CD2 TYR A 15 2.970 2.164 -2.186 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.012 3.861 -0.176 1.00 0.00 C ATOM 197 CE2 TYR A 15 2.738 3.516 -2.463 1.00 0.00 C ATOM 198 CZ TYR A 15 2.259 4.365 -1.458 1.00 0.00 C ATOM 199 OH TYR A 15 2.031 5.698 -1.731 1.00 0.00 O ATOM 200 H TYR A 15 4.156 -1.972 -0.355 1.00 0.00 H ATOM 201 HA TYR A 15 4.900 0.811 0.118 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.194 -0.322 -1.529 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.094 -0.231 -0.153 1.00 0.00 H ATOM 204 HD1 TYR A 15 2.052 2.119 1.091 1.00 0.00 H ATOM 205 HD2 TYR A 15 3.340 1.510 -2.962 1.00 0.00 H ATOM 206 HE1 TYR A 15 1.643 4.517 0.599 1.00 0.00 H ATOM 207 HE2 TYR A 15 2.928 3.905 -3.453 1.00 0.00 H ATOM 208 HH TYR A 15 1.617 6.091 -0.960 1.00 0.00 H ATOM 209 N CYS A 16 3.076 -0.808 2.330 1.00 0.00 N ATOM 210 CA CYS A 16 2.586 -0.730 3.738 1.00 0.00 C ATOM 211 C CYS A 16 3.454 -1.590 4.661 1.00 0.00 C ATOM 212 O CYS A 16 4.186 -1.078 5.483 1.00 0.00 O ATOM 213 CB CYS A 16 1.157 -1.270 3.679 1.00 0.00 C ATOM 214 SG CYS A 16 0.080 -0.250 4.714 1.00 0.00 S ATOM 215 H CYS A 16 2.932 -1.621 1.804 1.00 0.00 H ATOM 216 HA CYS A 16 2.576 0.295 4.076 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.808 -1.235 2.660 1.00 0.00 H ATOM 218 HB3 CYS A 16 1.139 -2.291 4.032 1.00 0.00 H HETATM 219 N NH2 A 17 3.397 -2.889 4.561 1.00 0.00 N HETATM 220 HN1 NH2 A 17 2.806 -3.304 3.899 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.945 -3.451 5.150 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 17 ATOM 1 N GLY A 1 -4.449 3.657 -0.741 1.00 0.00 N ATOM 2 CA GLY A 1 -3.399 2.893 -1.471 1.00 0.00 C ATOM 3 C GLY A 1 -3.622 1.393 -1.270 1.00 0.00 C ATOM 4 O GLY A 1 -4.740 0.919 -1.246 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.371 3.197 -0.876 1.00 0.00 H ATOM 6 H2 GLY A 1 -4.489 4.629 -1.111 1.00 0.00 H ATOM 7 H3 GLY A 1 -4.220 3.681 0.272 1.00 0.00 H ATOM 8 HA2 GLY A 1 -3.451 3.127 -2.525 1.00 0.00 H ATOM 9 HA3 GLY A 1 -2.426 3.162 -1.089 1.00 0.00 H ATOM 10 N CYS A 2 -2.565 0.642 -1.128 1.00 0.00 N ATOM 11 CA CYS A 2 -2.714 -0.828 -0.931 1.00 0.00 C ATOM 12 C CYS A 2 -3.030 -1.139 0.535 1.00 0.00 C ATOM 13 O CYS A 2 -3.528 -2.198 0.862 1.00 0.00 O ATOM 14 CB CYS A 2 -1.359 -1.415 -1.324 1.00 0.00 C ATOM 15 SG CYS A 2 -1.130 -1.258 -3.113 1.00 0.00 S ATOM 16 H CYS A 2 -1.671 1.045 -1.152 1.00 0.00 H ATOM 17 HA CYS A 2 -3.485 -1.219 -1.574 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.573 -0.879 -0.813 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.323 -2.458 -1.047 1.00 0.00 H ATOM 20 N CYS A 3 -2.739 -0.226 1.420 1.00 0.00 N ATOM 21 CA CYS A 3 -3.015 -0.467 2.860 1.00 0.00 C ATOM 22 C CYS A 3 -4.505 -0.737 3.077 1.00 0.00 C ATOM 23 O CYS A 3 -4.890 -1.478 3.959 1.00 0.00 O ATOM 24 CB CYS A 3 -2.594 0.821 3.568 1.00 0.00 C ATOM 25 SG CYS A 3 -0.868 0.686 4.094 1.00 0.00 S ATOM 26 H CYS A 3 -2.335 0.613 1.140 1.00 0.00 H ATOM 27 HA CYS A 3 -2.427 -1.291 3.213 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.699 1.656 2.891 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.221 0.978 4.433 1.00 0.00 H ATOM 30 N GLU A 4 -5.343 -0.150 2.271 1.00 0.00 N ATOM 31 CA GLU A 4 -6.807 -0.386 2.425 1.00 0.00 C ATOM 32 C GLU A 4 -7.192 -1.671 1.693 1.00 0.00 C ATOM 33 O GLU A 4 -8.352 -2.011 1.576 1.00 0.00 O ATOM 34 CB GLU A 4 -7.479 0.824 1.777 1.00 0.00 C ATOM 35 CG GLU A 4 -8.843 1.060 2.430 1.00 0.00 C ATOM 36 CD GLU A 4 -8.651 1.780 3.767 1.00 0.00 C ATOM 37 OE1 GLU A 4 -7.539 1.771 4.267 1.00 0.00 O ATOM 38 OE2 GLU A 4 -9.621 2.328 4.266 1.00 0.00 O ATOM 39 H GLU A 4 -5.011 0.433 1.558 1.00 0.00 H ATOM 40 HA GLU A 4 -7.074 -0.448 3.468 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.858 1.696 1.913 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.615 0.638 0.722 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.455 1.666 1.778 1.00 0.00 H ATOM 44 HG3 GLU A 4 -9.329 0.111 2.601 1.00 0.00 H ATOM 45 N ILE A 5 -6.216 -2.384 1.199 1.00 0.00 N ATOM 46 CA ILE A 5 -6.501 -3.647 0.469 1.00 0.00 C ATOM 47 C ILE A 5 -5.426 -4.682 0.805 1.00 0.00 C ATOM 48 O ILE A 5 -4.253 -4.437 0.610 1.00 0.00 O ATOM 49 CB ILE A 5 -6.431 -3.261 -1.007 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.597 -2.332 -1.352 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.515 -4.517 -1.868 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.051 -0.957 -1.734 1.00 0.00 C ATOM 53 H ILE A 5 -5.288 -2.086 1.309 1.00 0.00 H ATOM 54 HA ILE A 5 -7.483 -4.018 0.713 1.00 0.00 H ATOM 55 HB ILE A 5 -5.497 -2.755 -1.202 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.152 -2.742 -2.183 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.247 -2.234 -0.497 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.613 -4.610 -2.454 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.368 -4.441 -2.527 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.625 -5.381 -1.233 1.00 0.00 H ATOM 61 HD11 ILE A 5 -7.712 -0.191 -1.354 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.991 -0.881 -2.809 1.00 0.00 H ATOM 63 HD13 ILE A 5 -6.067 -0.830 -1.307 1.00 0.00 H ATOM 64 N PRO A 6 -5.860 -5.802 1.311 1.00 0.00 N ATOM 65 CA PRO A 6 -4.912 -6.877 1.691 1.00 0.00 C ATOM 66 C PRO A 6 -4.286 -7.515 0.449 1.00 0.00 C ATOM 67 O PRO A 6 -3.161 -7.976 0.478 1.00 0.00 O ATOM 68 CB PRO A 6 -5.787 -7.876 2.445 1.00 0.00 C ATOM 69 CG PRO A 6 -7.171 -7.635 1.932 1.00 0.00 C ATOM 70 CD PRO A 6 -7.254 -6.176 1.570 1.00 0.00 C ATOM 71 HA PRO A 6 -4.147 -6.489 2.343 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.472 -8.887 2.229 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.747 -7.685 3.506 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.352 -8.247 1.059 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.894 -7.862 2.701 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.859 -6.040 0.684 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.647 -5.600 2.394 1.00 0.00 H ATOM 78 N ALA A 7 -4.998 -7.543 -0.642 1.00 0.00 N ATOM 79 CA ALA A 7 -4.434 -8.149 -1.876 1.00 0.00 C ATOM 80 C ALA A 7 -3.136 -7.439 -2.249 1.00 0.00 C ATOM 81 O ALA A 7 -2.179 -8.049 -2.685 1.00 0.00 O ATOM 82 CB ALA A 7 -5.489 -7.923 -2.955 1.00 0.00 C ATOM 83 H ALA A 7 -5.895 -7.168 -0.651 1.00 0.00 H ATOM 84 HA ALA A 7 -4.268 -9.198 -1.734 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.041 -8.061 -3.928 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.875 -6.917 -2.875 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.293 -8.630 -2.824 1.00 0.00 H ATOM 88 N CYS A 8 -3.100 -6.150 -2.076 1.00 0.00 N ATOM 89 CA CYS A 8 -1.869 -5.388 -2.414 1.00 0.00 C ATOM 90 C CYS A 8 -0.968 -5.280 -1.185 1.00 0.00 C ATOM 91 O CYS A 8 0.241 -5.269 -1.289 1.00 0.00 O ATOM 92 CB CYS A 8 -2.359 -4.007 -2.851 1.00 0.00 C ATOM 93 SG CYS A 8 -1.047 -3.166 -3.771 1.00 0.00 S ATOM 94 H CYS A 8 -3.887 -5.684 -1.721 1.00 0.00 H ATOM 95 HA CYS A 8 -1.342 -5.867 -3.222 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.229 -4.118 -3.482 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.619 -3.425 -1.979 1.00 0.00 H ATOM 98 N ILE A 9 -1.543 -5.203 -0.019 1.00 0.00 N ATOM 99 CA ILE A 9 -0.714 -5.103 1.204 1.00 0.00 C ATOM 100 C ILE A 9 -0.066 -6.463 1.498 1.00 0.00 C ATOM 101 O ILE A 9 1.083 -6.547 1.884 1.00 0.00 O ATOM 102 CB ILE A 9 -1.690 -4.660 2.312 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.041 -3.560 3.154 1.00 0.00 C ATOM 104 CG2 ILE A 9 -2.068 -5.832 3.225 1.00 0.00 C ATOM 105 CD1 ILE A 9 -1.925 -3.258 4.365 1.00 0.00 C ATOM 106 H ILE A 9 -2.512 -5.210 0.052 1.00 0.00 H ATOM 107 HA ILE A 9 0.039 -4.360 1.061 1.00 0.00 H ATOM 108 HB ILE A 9 -2.586 -4.272 1.854 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.068 -3.890 3.490 1.00 0.00 H ATOM 110 HG13 ILE A 9 -0.933 -2.666 2.558 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.322 -6.691 2.623 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.917 -5.555 3.832 1.00 0.00 H ATOM 113 HG23 ILE A 9 -1.232 -6.074 3.864 1.00 0.00 H ATOM 114 HD11 ILE A 9 -1.975 -4.131 5.001 1.00 0.00 H ATOM 115 HD12 ILE A 9 -2.919 -3.001 4.030 1.00 0.00 H ATOM 116 HD13 ILE A 9 -1.507 -2.432 4.921 1.00 0.00 H ATOM 117 N MET A 10 -0.800 -7.523 1.310 1.00 0.00 N ATOM 118 CA MET A 10 -0.244 -8.873 1.566 1.00 0.00 C ATOM 119 C MET A 10 0.688 -9.278 0.425 1.00 0.00 C ATOM 120 O MET A 10 1.709 -9.903 0.632 1.00 0.00 O ATOM 121 CB MET A 10 -1.459 -9.799 1.619 1.00 0.00 C ATOM 122 CG MET A 10 -1.061 -11.128 2.266 1.00 0.00 C ATOM 123 SD MET A 10 -1.555 -12.497 1.188 1.00 0.00 S ATOM 124 CE MET A 10 -0.370 -13.715 1.812 1.00 0.00 C ATOM 125 H MET A 10 -1.715 -7.431 1.000 1.00 0.00 H ATOM 126 HA MET A 10 0.272 -8.887 2.503 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.240 -9.333 2.201 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.815 -9.981 0.616 1.00 0.00 H ATOM 129 HG2 MET A 10 0.009 -11.152 2.410 1.00 0.00 H ATOM 130 HG3 MET A 10 -1.555 -11.226 3.221 1.00 0.00 H ATOM 131 HE1 MET A 10 -0.870 -14.664 1.953 1.00 0.00 H ATOM 132 HE2 MET A 10 0.035 -13.372 2.754 1.00 0.00 H ATOM 133 HE3 MET A 10 0.432 -13.836 1.101 1.00 0.00 H ATOM 134 N ASN A 11 0.341 -8.921 -0.780 1.00 0.00 N ATOM 135 CA ASN A 11 1.201 -9.279 -1.940 1.00 0.00 C ATOM 136 C ASN A 11 2.210 -8.159 -2.202 1.00 0.00 C ATOM 137 O ASN A 11 3.276 -8.383 -2.739 1.00 0.00 O ATOM 138 CB ASN A 11 0.238 -9.424 -3.119 1.00 0.00 C ATOM 139 CG ASN A 11 -0.880 -10.401 -2.751 1.00 0.00 C ATOM 140 OD1 ASN A 11 -0.743 -11.181 -1.829 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.989 -10.391 -3.437 1.00 0.00 N ATOM 142 H ASN A 11 -0.487 -8.416 -0.921 1.00 0.00 H ATOM 143 HA ASN A 11 1.710 -10.212 -1.760 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.189 -8.459 -3.354 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.774 -9.800 -3.977 1.00 0.00 H ATOM 146 HD21 ASN A 11 -2.100 -9.761 -4.180 1.00 0.00 H ATOM 147 HD22 ASN A 11 -2.712 -11.012 -3.209 1.00 0.00 H ATOM 148 N ASN A 12 1.881 -6.953 -1.824 1.00 0.00 N ATOM 149 CA ASN A 12 2.827 -5.822 -2.050 1.00 0.00 C ATOM 150 C ASN A 12 3.078 -5.072 -0.740 1.00 0.00 C ATOM 151 O ASN A 12 2.584 -3.979 -0.544 1.00 0.00 O ATOM 152 CB ASN A 12 2.130 -4.913 -3.062 1.00 0.00 C ATOM 153 CG ASN A 12 2.863 -4.979 -4.404 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.744 -4.186 -4.668 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.534 -5.900 -5.269 1.00 0.00 N ATOM 156 H ASN A 12 1.012 -6.791 -1.388 1.00 0.00 H ATOM 157 HA ASN A 12 3.756 -6.184 -2.461 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.108 -5.238 -3.194 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.140 -3.896 -2.699 1.00 0.00 H ATOM 160 HD21 ASN A 12 1.823 -6.540 -5.057 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.997 -5.950 -6.131 1.00 0.00 H ATOM 162 N PRO A 13 3.842 -5.692 0.116 1.00 0.00 N ATOM 163 CA PRO A 13 4.171 -5.083 1.429 1.00 0.00 C ATOM 164 C PRO A 13 5.152 -3.921 1.249 1.00 0.00 C ATOM 165 O PRO A 13 5.303 -3.084 2.117 1.00 0.00 O ATOM 166 CB PRO A 13 4.825 -6.226 2.199 1.00 0.00 C ATOM 167 CG PRO A 13 5.367 -7.140 1.148 1.00 0.00 C ATOM 168 CD PRO A 13 4.468 -7.008 -0.055 1.00 0.00 C ATOM 169 HA PRO A 13 3.277 -4.757 1.934 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.623 -5.849 2.823 1.00 0.00 H ATOM 171 HB3 PRO A 13 4.091 -6.746 2.797 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.376 -6.846 0.891 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.355 -8.159 1.500 1.00 0.00 H ATOM 174 HD2 PRO A 13 5.049 -7.041 -0.967 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.716 -7.780 -0.053 1.00 0.00 H ATOM 176 N ASP A 14 5.823 -3.864 0.130 1.00 0.00 N ATOM 177 CA ASP A 14 6.792 -2.760 -0.101 1.00 0.00 C ATOM 178 C ASP A 14 6.104 -1.414 0.110 1.00 0.00 C ATOM 179 O ASP A 14 6.740 -0.408 0.355 1.00 0.00 O ATOM 180 CB ASP A 14 7.243 -2.917 -1.555 1.00 0.00 C ATOM 181 CG ASP A 14 6.109 -2.499 -2.493 1.00 0.00 C ATOM 182 OD1 ASP A 14 5.960 -1.309 -2.716 1.00 0.00 O ATOM 183 OD2 ASP A 14 5.411 -3.376 -2.973 1.00 0.00 O ATOM 184 H ASP A 14 5.690 -4.544 -0.555 1.00 0.00 H ATOM 185 HA ASP A 14 7.634 -2.864 0.559 1.00 0.00 H ATOM 186 HB2 ASP A 14 8.107 -2.293 -1.732 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.500 -3.949 -1.742 1.00 0.00 H ATOM 188 N TYR A 15 4.803 -1.392 0.024 1.00 0.00 N ATOM 189 CA TYR A 15 4.066 -0.111 0.225 1.00 0.00 C ATOM 190 C TYR A 15 3.555 -0.018 1.663 1.00 0.00 C ATOM 191 O TYR A 15 3.667 1.004 2.310 1.00 0.00 O ATOM 192 CB TYR A 15 2.894 -0.166 -0.756 1.00 0.00 C ATOM 193 CG TYR A 15 2.607 1.223 -1.275 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.056 2.189 -0.424 1.00 0.00 C ATOM 195 CD2 TYR A 15 2.896 1.544 -2.606 1.00 0.00 C ATOM 196 CE1 TYR A 15 1.792 3.477 -0.907 1.00 0.00 C ATOM 197 CE2 TYR A 15 2.631 2.832 -3.089 1.00 0.00 C ATOM 198 CZ TYR A 15 2.080 3.798 -2.238 1.00 0.00 C ATOM 199 OH TYR A 15 1.820 5.067 -2.713 1.00 0.00 O ATOM 200 H TYR A 15 4.310 -2.218 -0.171 1.00 0.00 H ATOM 201 HA TYR A 15 4.699 0.727 -0.004 1.00 0.00 H ATOM 202 HB2 TYR A 15 3.145 -0.816 -1.581 1.00 0.00 H ATOM 203 HB3 TYR A 15 2.019 -0.548 -0.251 1.00 0.00 H ATOM 204 HD1 TYR A 15 1.832 1.941 0.603 1.00 0.00 H ATOM 205 HD2 TYR A 15 3.321 0.799 -3.262 1.00 0.00 H ATOM 206 HE1 TYR A 15 1.367 4.222 -0.251 1.00 0.00 H ATOM 207 HE2 TYR A 15 2.853 3.079 -4.116 1.00 0.00 H ATOM 208 HH TYR A 15 2.389 5.223 -3.470 1.00 0.00 H ATOM 209 N CYS A 16 2.996 -1.081 2.165 1.00 0.00 N ATOM 210 CA CYS A 16 2.473 -1.064 3.562 1.00 0.00 C ATOM 211 C CYS A 16 3.301 -1.995 4.451 1.00 0.00 C ATOM 212 O CYS A 16 4.443 -2.285 4.157 1.00 0.00 O ATOM 213 CB CYS A 16 1.036 -1.570 3.449 1.00 0.00 C ATOM 214 SG CYS A 16 0.026 -0.333 2.598 1.00 0.00 S ATOM 215 H CYS A 16 2.919 -1.892 1.623 1.00 0.00 H ATOM 216 HA CYS A 16 2.481 -0.060 3.955 1.00 0.00 H ATOM 217 HB2 CYS A 16 1.022 -2.493 2.889 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.636 -1.743 4.437 1.00 0.00 H HETATM 219 N NH2 A 17 2.765 -2.480 5.539 1.00 0.00 N HETATM 220 HN1 NH2 A 17 1.844 -2.247 5.778 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.286 -3.077 6.116 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 18 ATOM 1 N GLY A 1 -2.028 3.491 0.955 1.00 0.00 N ATOM 2 CA GLY A 1 -2.870 3.345 -0.267 1.00 0.00 C ATOM 3 C GLY A 1 -3.351 1.899 -0.388 1.00 0.00 C ATOM 4 O GLY A 1 -4.528 1.635 -0.541 1.00 0.00 O ATOM 5 H1 GLY A 1 -1.186 4.056 0.731 1.00 0.00 H ATOM 6 H2 GLY A 1 -1.737 2.549 1.291 1.00 0.00 H ATOM 7 H3 GLY A 1 -2.576 3.969 1.698 1.00 0.00 H ATOM 8 HA2 GLY A 1 -3.722 4.004 -0.197 1.00 0.00 H ATOM 9 HA3 GLY A 1 -2.287 3.599 -1.137 1.00 0.00 H ATOM 10 N CYS A 2 -2.450 0.959 -0.325 1.00 0.00 N ATOM 11 CA CYS A 2 -2.851 -0.472 -0.441 1.00 0.00 C ATOM 12 C CYS A 2 -3.243 -1.025 0.932 1.00 0.00 C ATOM 13 O CYS A 2 -3.728 -2.132 1.052 1.00 0.00 O ATOM 14 CB CYS A 2 -1.607 -1.184 -0.970 1.00 0.00 C ATOM 15 SG CYS A 2 -1.482 -0.939 -2.758 1.00 0.00 S ATOM 16 H CYS A 2 -1.506 1.194 -0.204 1.00 0.00 H ATOM 17 HA CYS A 2 -3.665 -0.581 -1.140 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.728 -0.779 -0.490 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.678 -2.240 -0.756 1.00 0.00 H ATOM 20 N CYS A 3 -3.029 -0.264 1.970 1.00 0.00 N ATOM 21 CA CYS A 3 -3.378 -0.741 3.333 1.00 0.00 C ATOM 22 C CYS A 3 -4.867 -1.072 3.420 1.00 0.00 C ATOM 23 O CYS A 3 -5.287 -1.884 4.221 1.00 0.00 O ATOM 24 CB CYS A 3 -3.038 0.425 4.260 1.00 0.00 C ATOM 25 SG CYS A 3 -1.382 0.188 4.950 1.00 0.00 S ATOM 26 H CYS A 3 -2.633 0.619 1.854 1.00 0.00 H ATOM 27 HA CYS A 3 -2.786 -1.600 3.585 1.00 0.00 H ATOM 28 HB2 CYS A 3 -3.067 1.348 3.702 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.760 0.468 5.063 1.00 0.00 H ATOM 30 N GLU A 4 -5.670 -0.457 2.600 1.00 0.00 N ATOM 31 CA GLU A 4 -7.128 -0.748 2.638 1.00 0.00 C ATOM 32 C GLU A 4 -7.431 -1.967 1.767 1.00 0.00 C ATOM 33 O GLU A 4 -8.570 -2.353 1.592 1.00 0.00 O ATOM 34 CB GLU A 4 -7.800 0.503 2.071 1.00 0.00 C ATOM 35 CG GLU A 4 -7.721 1.634 3.097 1.00 0.00 C ATOM 36 CD GLU A 4 -8.264 1.143 4.441 1.00 0.00 C ATOM 37 OE1 GLU A 4 -9.471 1.166 4.612 1.00 0.00 O ATOM 38 OE2 GLU A 4 -7.464 0.751 5.274 1.00 0.00 O ATOM 39 H GLU A 4 -5.313 0.188 1.954 1.00 0.00 H ATOM 40 HA GLU A 4 -7.455 -0.916 3.653 1.00 0.00 H ATOM 41 HB2 GLU A 4 -7.296 0.802 1.164 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.835 0.289 1.854 1.00 0.00 H ATOM 43 HG2 GLU A 4 -6.692 1.942 3.215 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.312 2.471 2.757 1.00 0.00 H ATOM 45 N ILE A 5 -6.412 -2.576 1.223 1.00 0.00 N ATOM 46 CA ILE A 5 -6.623 -3.772 0.361 1.00 0.00 C ATOM 47 C ILE A 5 -5.491 -4.772 0.585 1.00 0.00 C ATOM 48 O ILE A 5 -4.337 -4.455 0.371 1.00 0.00 O ATOM 49 CB ILE A 5 -6.580 -3.241 -1.071 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.833 -2.412 -1.357 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.516 -4.414 -2.047 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.425 -0.984 -1.718 1.00 0.00 C ATOM 53 H ILE A 5 -5.499 -2.248 1.383 1.00 0.00 H ATOM 54 HA ILE A 5 -7.581 -4.224 0.562 1.00 0.00 H ATOM 55 HB ILE A 5 -5.701 -2.625 -1.198 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.376 -2.851 -2.182 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.463 -2.394 -0.482 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.599 -4.358 -2.614 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.360 -4.368 -2.720 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.544 -5.342 -1.496 1.00 0.00 H ATOM 61 HD11 ILE A 5 -7.833 -0.728 -2.684 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.348 -0.917 -1.751 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.807 -0.303 -0.973 1.00 0.00 H ATOM 64 N PRO A 6 -5.852 -5.950 1.006 1.00 0.00 N ATOM 65 CA PRO A 6 -4.841 -6.999 1.259 1.00 0.00 C ATOM 66 C PRO A 6 -4.263 -7.497 -0.064 1.00 0.00 C ATOM 67 O PRO A 6 -3.100 -7.830 -0.159 1.00 0.00 O ATOM 68 CB PRO A 6 -5.628 -8.097 1.970 1.00 0.00 C ATOM 69 CG PRO A 6 -7.046 -7.890 1.542 1.00 0.00 C ATOM 70 CD PRO A 6 -7.215 -6.415 1.283 1.00 0.00 C ATOM 71 HA PRO A 6 -4.061 -6.625 1.899 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.274 -9.072 1.660 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.545 -7.986 3.040 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.242 -8.453 0.640 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.717 -8.202 2.326 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.856 -6.255 0.426 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.610 -5.919 2.154 1.00 0.00 H ATOM 78 N ALA A 7 -5.057 -7.536 -1.092 1.00 0.00 N ATOM 79 CA ALA A 7 -4.535 -7.997 -2.400 1.00 0.00 C ATOM 80 C ALA A 7 -3.254 -7.240 -2.713 1.00 0.00 C ATOM 81 O ALA A 7 -2.348 -7.755 -3.335 1.00 0.00 O ATOM 82 CB ALA A 7 -5.613 -7.642 -3.416 1.00 0.00 C ATOM 83 H ALA A 7 -5.985 -7.253 -1.007 1.00 0.00 H ATOM 84 HA ALA A 7 -4.366 -9.058 -2.387 1.00 0.00 H ATOM 85 HB1 ALA A 7 -6.056 -6.694 -3.153 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.370 -8.410 -3.418 1.00 0.00 H ATOM 87 HB3 ALA A 7 -5.166 -7.570 -4.397 1.00 0.00 H ATOM 88 N CYS A 8 -3.178 -6.014 -2.282 1.00 0.00 N ATOM 89 CA CYS A 8 -1.957 -5.208 -2.544 1.00 0.00 C ATOM 90 C CYS A 8 -1.057 -5.210 -1.312 1.00 0.00 C ATOM 91 O CYS A 8 0.146 -5.304 -1.412 1.00 0.00 O ATOM 92 CB CYS A 8 -2.464 -3.797 -2.849 1.00 0.00 C ATOM 93 SG CYS A 8 -1.102 -2.787 -3.482 1.00 0.00 S ATOM 94 H CYS A 8 -3.930 -5.623 -1.782 1.00 0.00 H ATOM 95 HA CYS A 8 -1.424 -5.604 -3.390 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.248 -3.851 -3.591 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.854 -3.351 -1.946 1.00 0.00 H ATOM 98 N ILE A 9 -1.624 -5.113 -0.146 1.00 0.00 N ATOM 99 CA ILE A 9 -0.786 -5.121 1.072 1.00 0.00 C ATOM 100 C ILE A 9 -0.251 -6.537 1.314 1.00 0.00 C ATOM 101 O ILE A 9 0.892 -6.731 1.679 1.00 0.00 O ATOM 102 CB ILE A 9 -1.711 -4.631 2.201 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.027 -3.479 2.937 1.00 0.00 C ATOM 104 CG2 ILE A 9 -2.017 -5.750 3.204 1.00 0.00 C ATOM 105 CD1 ILE A 9 0.313 -3.962 3.494 1.00 0.00 C ATOM 106 H ILE A 9 -2.591 -5.038 -0.075 1.00 0.00 H ATOM 107 HA ILE A 9 0.024 -4.438 0.944 1.00 0.00 H ATOM 108 HB ILE A 9 -2.634 -4.279 1.770 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.863 -2.663 2.249 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.656 -3.146 3.750 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.765 -5.410 3.905 1.00 0.00 H ATOM 112 HG22 ILE A 9 -1.115 -6.009 3.739 1.00 0.00 H ATOM 113 HG23 ILE A 9 -2.383 -6.617 2.677 1.00 0.00 H ATOM 114 HD11 ILE A 9 0.336 -5.042 3.488 1.00 0.00 H ATOM 115 HD12 ILE A 9 0.431 -3.607 4.507 1.00 0.00 H ATOM 116 HD13 ILE A 9 1.117 -3.582 2.882 1.00 0.00 H ATOM 117 N MET A 10 -1.075 -7.523 1.101 1.00 0.00 N ATOM 118 CA MET A 10 -0.636 -8.925 1.301 1.00 0.00 C ATOM 119 C MET A 10 0.385 -9.316 0.230 1.00 0.00 C ATOM 120 O MET A 10 1.340 -10.016 0.499 1.00 0.00 O ATOM 121 CB MET A 10 -1.910 -9.762 1.161 1.00 0.00 C ATOM 122 CG MET A 10 -1.853 -10.965 2.110 1.00 0.00 C ATOM 123 SD MET A 10 -0.242 -11.783 1.976 1.00 0.00 S ATOM 124 CE MET A 10 0.308 -11.469 3.671 1.00 0.00 C ATOM 125 H MET A 10 -1.983 -7.341 0.805 1.00 0.00 H ATOM 126 HA MET A 10 -0.225 -9.045 2.280 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.766 -9.152 1.409 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.999 -10.112 0.144 1.00 0.00 H ATOM 129 HG2 MET A 10 -2.000 -10.628 3.125 1.00 0.00 H ATOM 130 HG3 MET A 10 -2.634 -11.664 1.849 1.00 0.00 H ATOM 131 HE1 MET A 10 1.312 -11.069 3.654 1.00 0.00 H ATOM 132 HE2 MET A 10 0.293 -12.395 4.230 1.00 0.00 H ATOM 133 HE3 MET A 10 -0.353 -10.758 4.140 1.00 0.00 H ATOM 134 N ASN A 11 0.194 -8.867 -0.982 1.00 0.00 N ATOM 135 CA ASN A 11 1.164 -9.214 -2.062 1.00 0.00 C ATOM 136 C ASN A 11 2.230 -8.126 -2.172 1.00 0.00 C ATOM 137 O ASN A 11 3.377 -8.393 -2.469 1.00 0.00 O ATOM 138 CB ASN A 11 0.339 -9.286 -3.347 1.00 0.00 C ATOM 139 CG ASN A 11 -0.313 -10.665 -3.461 1.00 0.00 C ATOM 140 OD1 ASN A 11 -0.348 -11.415 -2.504 1.00 0.00 O ATOM 141 ND2 ASN A 11 -0.835 -11.035 -4.599 1.00 0.00 N ATOM 142 H ASN A 11 -0.581 -8.296 -1.180 1.00 0.00 H ATOM 143 HA ASN A 11 1.621 -10.168 -1.861 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.425 -8.526 -3.326 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.985 -9.127 -4.197 1.00 0.00 H ATOM 146 HD21 ASN A 11 -0.806 -10.431 -5.370 1.00 0.00 H ATOM 147 HD22 ASN A 11 -1.256 -11.916 -4.682 1.00 0.00 H ATOM 148 N ASN A 12 1.862 -6.900 -1.923 1.00 0.00 N ATOM 149 CA ASN A 12 2.864 -5.796 -2.003 1.00 0.00 C ATOM 150 C ASN A 12 2.945 -5.068 -0.660 1.00 0.00 C ATOM 151 O ASN A 12 2.385 -4.004 -0.493 1.00 0.00 O ATOM 152 CB ASN A 12 2.358 -4.854 -3.099 1.00 0.00 C ATOM 153 CG ASN A 12 2.195 -5.628 -4.408 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.165 -6.073 -4.989 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.001 -5.809 -4.902 1.00 0.00 N ATOM 156 H ASN A 12 0.925 -6.707 -1.674 1.00 0.00 H ATOM 157 HA ASN A 12 3.833 -6.187 -2.274 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.407 -4.435 -2.807 1.00 0.00 H ATOM 159 HB3 ASN A 12 3.070 -4.056 -3.245 1.00 0.00 H ATOM 160 HD21 ASN A 12 0.218 -5.448 -4.435 1.00 0.00 H ATOM 161 HD22 ASN A 12 0.887 -6.303 -5.741 1.00 0.00 H ATOM 162 N PRO A 13 3.643 -5.681 0.260 1.00 0.00 N ATOM 163 CA PRO A 13 3.802 -5.099 1.612 1.00 0.00 C ATOM 164 C PRO A 13 4.793 -3.932 1.581 1.00 0.00 C ATOM 165 O PRO A 13 4.772 -3.065 2.432 1.00 0.00 O ATOM 166 CB PRO A 13 4.353 -6.259 2.439 1.00 0.00 C ATOM 167 CG PRO A 13 5.029 -7.156 1.451 1.00 0.00 C ATOM 168 CD PRO A 13 4.342 -6.964 0.122 1.00 0.00 C ATOM 169 HA PRO A 13 2.849 -4.783 2.007 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.064 -5.893 3.168 1.00 0.00 H ATOM 171 HB3 PRO A 13 3.550 -6.787 2.927 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.075 -6.893 1.371 1.00 0.00 H ATOM 173 HG3 PRO A 13 4.932 -8.185 1.763 1.00 0.00 H ATOM 174 HD2 PRO A 13 5.071 -6.917 -0.676 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.633 -7.757 -0.056 1.00 0.00 H ATOM 176 N ASP A 14 5.660 -3.900 0.605 1.00 0.00 N ATOM 177 CA ASP A 14 6.644 -2.789 0.524 1.00 0.00 C ATOM 178 C ASP A 14 5.914 -1.451 0.592 1.00 0.00 C ATOM 179 O ASP A 14 6.442 -0.461 1.061 1.00 0.00 O ATOM 180 CB ASP A 14 7.330 -2.962 -0.831 1.00 0.00 C ATOM 181 CG ASP A 14 8.826 -3.209 -0.623 1.00 0.00 C ATOM 182 OD1 ASP A 14 9.166 -3.916 0.311 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.605 -2.684 -1.401 1.00 0.00 O ATOM 184 H ASP A 14 5.661 -4.600 -0.072 1.00 0.00 H ATOM 185 HA ASP A 14 7.365 -2.872 1.316 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.893 -3.805 -1.349 1.00 0.00 H ATOM 187 HB3 ASP A 14 7.193 -2.068 -1.420 1.00 0.00 H ATOM 188 N TYR A 15 4.695 -1.419 0.131 1.00 0.00 N ATOM 189 CA TYR A 15 3.915 -0.149 0.169 1.00 0.00 C ATOM 190 C TYR A 15 3.376 0.090 1.579 1.00 0.00 C ATOM 191 O TYR A 15 3.411 1.191 2.092 1.00 0.00 O ATOM 192 CB TYR A 15 2.765 -0.358 -0.816 1.00 0.00 C ATOM 193 CG TYR A 15 2.574 0.890 -1.645 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.200 2.090 -1.029 1.00 0.00 C ATOM 195 CD2 TYR A 15 2.770 0.845 -3.029 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.021 3.245 -1.798 1.00 0.00 C ATOM 197 CE2 TYR A 15 2.591 2.000 -3.799 1.00 0.00 C ATOM 198 CZ TYR A 15 2.217 3.200 -3.184 1.00 0.00 C ATOM 199 OH TYR A 15 2.040 4.338 -3.944 1.00 0.00 O ATOM 200 H TYR A 15 4.292 -2.235 -0.238 1.00 0.00 H ATOM 201 HA TYR A 15 4.527 0.679 -0.146 1.00 0.00 H ATOM 202 HB2 TYR A 15 2.995 -1.189 -1.466 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.858 -0.568 -0.270 1.00 0.00 H ATOM 204 HD1 TYR A 15 2.049 2.125 0.041 1.00 0.00 H ATOM 205 HD2 TYR A 15 3.058 -0.081 -3.504 1.00 0.00 H ATOM 206 HE1 TYR A 15 1.734 4.172 -1.323 1.00 0.00 H ATOM 207 HE2 TYR A 15 2.742 1.965 -4.869 1.00 0.00 H ATOM 208 HH TYR A 15 1.658 4.076 -4.785 1.00 0.00 H ATOM 209 N CYS A 16 2.879 -0.937 2.207 1.00 0.00 N ATOM 210 CA CYS A 16 2.335 -0.782 3.585 1.00 0.00 C ATOM 211 C CYS A 16 3.077 -1.708 4.552 1.00 0.00 C ATOM 212 O CYS A 16 2.470 -2.492 5.254 1.00 0.00 O ATOM 213 CB CYS A 16 0.866 -1.188 3.472 1.00 0.00 C ATOM 214 SG CYS A 16 -0.160 0.298 3.347 1.00 0.00 S ATOM 215 H CYS A 16 2.864 -1.814 1.770 1.00 0.00 H ATOM 216 HA CYS A 16 2.411 0.244 3.908 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.729 -1.793 2.590 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.578 -1.752 4.346 1.00 0.00 H HETATM 219 N NH2 A 17 4.379 -1.648 4.620 1.00 0.00 N HETATM 220 HN1 NH2 A 17 4.871 -1.016 4.054 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.865 -2.235 5.236 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 19 ATOM 1 N GLY A 1 -3.122 4.140 -0.979 1.00 0.00 N ATOM 2 CA GLY A 1 -2.226 3.129 -0.352 1.00 0.00 C ATOM 3 C GLY A 1 -2.870 1.747 -0.452 1.00 0.00 C ATOM 4 O GLY A 1 -4.038 1.618 -0.761 1.00 0.00 O ATOM 5 H1 GLY A 1 -2.918 5.079 -0.583 1.00 0.00 H ATOM 6 H2 GLY A 1 -4.114 3.890 -0.786 1.00 0.00 H ATOM 7 H3 GLY A 1 -2.962 4.158 -2.007 1.00 0.00 H ATOM 8 HA2 GLY A 1 -1.275 3.123 -0.866 1.00 0.00 H ATOM 9 HA3 GLY A 1 -2.073 3.376 0.687 1.00 0.00 H ATOM 10 N CYS A 2 -2.120 0.713 -0.196 1.00 0.00 N ATOM 11 CA CYS A 2 -2.694 -0.660 -0.280 1.00 0.00 C ATOM 12 C CYS A 2 -3.194 -1.108 1.095 1.00 0.00 C ATOM 13 O CYS A 2 -3.882 -2.100 1.222 1.00 0.00 O ATOM 14 CB CYS A 2 -1.541 -1.541 -0.759 1.00 0.00 C ATOM 15 SG CYS A 2 -1.190 -1.156 -2.494 1.00 0.00 S ATOM 16 H CYS A 2 -1.180 0.838 0.050 1.00 0.00 H ATOM 17 HA CYS A 2 -3.499 -0.688 -0.998 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.664 -1.345 -0.160 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.817 -2.580 -0.668 1.00 0.00 H ATOM 20 N CYS A 3 -2.860 -0.381 2.128 1.00 0.00 N ATOM 21 CA CYS A 3 -3.326 -0.765 3.485 1.00 0.00 C ATOM 22 C CYS A 3 -4.846 -0.906 3.485 1.00 0.00 C ATOM 23 O CYS A 3 -5.420 -1.592 4.307 1.00 0.00 O ATOM 24 CB CYS A 3 -2.891 0.379 4.400 1.00 0.00 C ATOM 25 SG CYS A 3 -1.255 0.019 5.080 1.00 0.00 S ATOM 26 H CYS A 3 -2.310 0.416 2.010 1.00 0.00 H ATOM 27 HA CYS A 3 -2.860 -1.683 3.789 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.852 1.298 3.834 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.602 0.483 5.207 1.00 0.00 H ATOM 30 N GLU A 4 -5.500 -0.273 2.551 1.00 0.00 N ATOM 31 CA GLU A 4 -6.980 -0.382 2.476 1.00 0.00 C ATOM 32 C GLU A 4 -7.350 -1.671 1.743 1.00 0.00 C ATOM 33 O GLU A 4 -8.507 -2.013 1.603 1.00 0.00 O ATOM 34 CB GLU A 4 -7.427 0.839 1.673 1.00 0.00 C ATOM 35 CG GLU A 4 -8.472 1.622 2.468 1.00 0.00 C ATOM 36 CD GLU A 4 -9.000 2.777 1.613 1.00 0.00 C ATOM 37 OE1 GLU A 4 -8.326 3.792 1.542 1.00 0.00 O ATOM 38 OE2 GLU A 4 -10.068 2.626 1.044 1.00 0.00 O ATOM 39 H GLU A 4 -5.014 0.260 1.889 1.00 0.00 H ATOM 40 HA GLU A 4 -7.417 -0.363 3.461 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.574 1.471 1.477 1.00 0.00 H ATOM 42 HB3 GLU A 4 -7.858 0.516 0.737 1.00 0.00 H ATOM 43 HG2 GLU A 4 -9.289 0.967 2.734 1.00 0.00 H ATOM 44 HG3 GLU A 4 -8.020 2.019 3.366 1.00 0.00 H ATOM 45 N ILE A 5 -6.363 -2.389 1.275 1.00 0.00 N ATOM 46 CA ILE A 5 -6.631 -3.654 0.546 1.00 0.00 C ATOM 47 C ILE A 5 -5.536 -4.670 0.875 1.00 0.00 C ATOM 48 O ILE A 5 -4.369 -4.413 0.653 1.00 0.00 O ATOM 49 CB ILE A 5 -6.581 -3.268 -0.932 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.839 -2.480 -1.300 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.506 -4.527 -1.790 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.442 -1.074 -1.750 1.00 0.00 C ATOM 53 H ILE A 5 -5.436 -2.093 1.402 1.00 0.00 H ATOM 54 HA ILE A 5 -7.605 -4.043 0.799 1.00 0.00 H ATOM 55 HB ILE A 5 -5.707 -2.659 -1.112 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.357 -2.984 -2.103 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.487 -2.411 -0.441 1.00 0.00 H ATOM 58 HG21 ILE A 5 -6.233 -4.256 -2.799 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.467 -5.016 -1.796 1.00 0.00 H ATOM 60 HG23 ILE A 5 -5.764 -5.195 -1.385 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.677 -0.690 -1.092 1.00 0.00 H ATOM 62 HD12 ILE A 5 -8.306 -0.428 -1.715 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.062 -1.115 -2.759 1.00 0.00 H ATOM 64 N PRO A 6 -5.945 -5.790 1.400 1.00 0.00 N ATOM 65 CA PRO A 6 -4.977 -6.848 1.768 1.00 0.00 C ATOM 66 C PRO A 6 -4.362 -7.471 0.514 1.00 0.00 C ATOM 67 O PRO A 6 -3.242 -7.940 0.527 1.00 0.00 O ATOM 68 CB PRO A 6 -5.824 -7.862 2.531 1.00 0.00 C ATOM 69 CG PRO A 6 -7.218 -7.642 2.038 1.00 0.00 C ATOM 70 CD PRO A 6 -7.328 -6.180 1.694 1.00 0.00 C ATOM 71 HA PRO A 6 -4.208 -6.449 2.411 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.496 -8.868 2.306 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.772 -7.675 3.592 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.400 -8.248 1.161 1.00 0.00 H ATOM 75 HG3 PRO A 6 -7.928 -7.888 2.812 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.958 -6.042 0.826 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.703 -5.618 2.534 1.00 0.00 H ATOM 78 N ALA A 7 -5.082 -7.472 -0.571 1.00 0.00 N ATOM 79 CA ALA A 7 -4.534 -8.058 -1.821 1.00 0.00 C ATOM 80 C ALA A 7 -3.239 -7.346 -2.196 1.00 0.00 C ATOM 81 O ALA A 7 -2.280 -7.956 -2.622 1.00 0.00 O ATOM 82 CB ALA A 7 -5.601 -7.814 -2.885 1.00 0.00 C ATOM 83 H ALA A 7 -5.977 -7.087 -0.566 1.00 0.00 H ATOM 84 HA ALA A 7 -4.369 -9.108 -1.697 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.151 -7.882 -3.864 1.00 0.00 H ATOM 86 HB2 ALA A 7 -6.024 -6.829 -2.751 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.377 -8.557 -2.792 1.00 0.00 H ATOM 88 N CYS A 8 -3.207 -6.055 -2.031 1.00 0.00 N ATOM 89 CA CYS A 8 -1.975 -5.295 -2.366 1.00 0.00 C ATOM 90 C CYS A 8 -1.070 -5.214 -1.140 1.00 0.00 C ATOM 91 O CYS A 8 0.135 -5.249 -1.244 1.00 0.00 O ATOM 92 CB CYS A 8 -2.450 -3.903 -2.786 1.00 0.00 C ATOM 93 SG CYS A 8 -1.035 -2.955 -3.401 1.00 0.00 S ATOM 94 H CYS A 8 -3.993 -5.590 -1.679 1.00 0.00 H ATOM 95 HA CYS A 8 -1.456 -5.770 -3.182 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.189 -3.995 -3.569 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.885 -3.398 -1.939 1.00 0.00 H ATOM 98 N ILE A 9 -1.635 -5.111 0.026 1.00 0.00 N ATOM 99 CA ILE A 9 -0.788 -5.040 1.237 1.00 0.00 C ATOM 100 C ILE A 9 -0.116 -6.398 1.469 1.00 0.00 C ATOM 101 O ILE A 9 1.049 -6.482 1.801 1.00 0.00 O ATOM 102 CB ILE A 9 -1.745 -4.648 2.380 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.089 -3.573 3.245 1.00 0.00 C ATOM 104 CG2 ILE A 9 -2.077 -5.856 3.262 1.00 0.00 C ATOM 105 CD1 ILE A 9 0.201 -4.127 3.854 1.00 0.00 C ATOM 106 H ILE A 9 -2.604 -5.085 0.104 1.00 0.00 H ATOM 107 HA ILE A 9 -0.046 -4.283 1.103 1.00 0.00 H ATOM 108 HB ILE A 9 -2.658 -4.254 1.956 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.865 -2.711 2.635 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.765 -3.287 4.037 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.382 -6.683 2.642 1.00 0.00 H ATOM 112 HG22 ILE A 9 -2.878 -5.597 3.938 1.00 0.00 H ATOM 113 HG23 ILE A 9 -1.202 -6.134 3.833 1.00 0.00 H ATOM 114 HD11 ILE A 9 1.043 -3.843 3.240 1.00 0.00 H ATOM 115 HD12 ILE A 9 0.141 -5.204 3.904 1.00 0.00 H ATOM 116 HD13 ILE A 9 0.330 -3.728 4.849 1.00 0.00 H ATOM 117 N MET A 10 -0.848 -7.460 1.283 1.00 0.00 N ATOM 118 CA MET A 10 -0.272 -8.812 1.476 1.00 0.00 C ATOM 119 C MET A 10 0.667 -9.142 0.316 1.00 0.00 C ATOM 120 O MET A 10 1.746 -9.668 0.505 1.00 0.00 O ATOM 121 CB MET A 10 -1.471 -9.760 1.484 1.00 0.00 C ATOM 122 CG MET A 10 -1.123 -11.021 2.277 1.00 0.00 C ATOM 123 SD MET A 10 -2.635 -11.959 2.613 1.00 0.00 S ATOM 124 CE MET A 10 -2.069 -13.546 1.951 1.00 0.00 C ATOM 125 H MET A 10 -1.777 -7.367 1.012 1.00 0.00 H ATOM 126 HA MET A 10 0.245 -8.861 2.411 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.316 -9.266 1.942 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.720 -10.033 0.469 1.00 0.00 H ATOM 129 HG2 MET A 10 -0.441 -11.631 1.704 1.00 0.00 H ATOM 130 HG3 MET A 10 -0.658 -10.742 3.212 1.00 0.00 H ATOM 131 HE1 MET A 10 -2.924 -14.173 1.741 1.00 0.00 H ATOM 132 HE2 MET A 10 -1.429 -14.029 2.676 1.00 0.00 H ATOM 133 HE3 MET A 10 -1.516 -13.379 1.041 1.00 0.00 H ATOM 134 N ASN A 11 0.261 -8.832 -0.882 1.00 0.00 N ATOM 135 CA ASN A 11 1.123 -9.120 -2.060 1.00 0.00 C ATOM 136 C ASN A 11 2.173 -8.020 -2.224 1.00 0.00 C ATOM 137 O ASN A 11 3.269 -8.261 -2.687 1.00 0.00 O ATOM 138 CB ASN A 11 0.172 -9.140 -3.255 1.00 0.00 C ATOM 139 CG ASN A 11 0.743 -10.046 -4.346 1.00 0.00 C ATOM 140 OD1 ASN A 11 1.899 -9.934 -4.701 1.00 0.00 O ATOM 141 ND2 ASN A 11 -0.024 -10.946 -4.894 1.00 0.00 N ATOM 142 H ASN A 11 -0.613 -8.407 -1.008 1.00 0.00 H ATOM 143 HA ASN A 11 1.599 -10.081 -1.952 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.792 -9.516 -2.941 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.059 -8.139 -3.643 1.00 0.00 H ATOM 146 HD21 ASN A 11 -0.957 -11.036 -4.605 1.00 0.00 H ATOM 147 HD22 ASN A 11 0.330 -11.531 -5.595 1.00 0.00 H ATOM 148 N ASN A 12 1.848 -6.814 -1.843 1.00 0.00 N ATOM 149 CA ASN A 12 2.839 -5.706 -1.975 1.00 0.00 C ATOM 150 C ASN A 12 3.020 -5.003 -0.628 1.00 0.00 C ATOM 151 O ASN A 12 2.445 -3.960 -0.388 1.00 0.00 O ATOM 152 CB ASN A 12 2.247 -4.748 -3.013 1.00 0.00 C ATOM 153 CG ASN A 12 2.676 -5.181 -4.415 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.841 -5.429 -4.660 1.00 0.00 O ATOM 155 ND2 ASN A 12 1.777 -5.284 -5.354 1.00 0.00 N ATOM 156 H ASN A 12 0.954 -6.638 -1.464 1.00 0.00 H ATOM 157 HA ASN A 12 3.784 -6.090 -2.326 1.00 0.00 H ATOM 158 HB2 ASN A 12 1.171 -4.763 -2.948 1.00 0.00 H ATOM 159 HB3 ASN A 12 2.605 -3.747 -2.823 1.00 0.00 H ATOM 160 HD21 ASN A 12 0.838 -5.084 -5.157 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.040 -5.560 -6.258 1.00 0.00 H ATOM 162 N PRO A 13 3.819 -5.606 0.209 1.00 0.00 N ATOM 163 CA PRO A 13 4.087 -5.041 1.553 1.00 0.00 C ATOM 164 C PRO A 13 5.005 -3.823 1.444 1.00 0.00 C ATOM 165 O PRO A 13 4.979 -2.938 2.275 1.00 0.00 O ATOM 166 CB PRO A 13 4.783 -6.182 2.289 1.00 0.00 C ATOM 167 CG PRO A 13 5.397 -7.022 1.214 1.00 0.00 C ATOM 168 CD PRO A 13 4.544 -6.861 -0.019 1.00 0.00 C ATOM 169 HA PRO A 13 3.166 -4.785 2.052 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.548 -5.792 2.947 1.00 0.00 H ATOM 171 HB3 PRO A 13 4.067 -6.764 2.847 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.405 -6.682 1.015 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.409 -8.058 1.516 1.00 0.00 H ATOM 174 HD2 PRO A 13 5.167 -6.788 -0.901 1.00 0.00 H ATOM 175 HD3 PRO A 13 3.850 -7.681 -0.110 1.00 0.00 H ATOM 176 N ASP A 14 5.810 -3.766 0.419 1.00 0.00 N ATOM 177 CA ASP A 14 6.718 -2.602 0.257 1.00 0.00 C ATOM 178 C ASP A 14 5.914 -1.316 0.413 1.00 0.00 C ATOM 179 O ASP A 14 6.422 -0.291 0.823 1.00 0.00 O ATOM 180 CB ASP A 14 7.275 -2.722 -1.161 1.00 0.00 C ATOM 181 CG ASP A 14 8.431 -1.736 -1.340 1.00 0.00 C ATOM 182 OD1 ASP A 14 8.286 -0.602 -0.917 1.00 0.00 O ATOM 183 OD2 ASP A 14 9.440 -2.133 -1.897 1.00 0.00 O ATOM 184 H ASP A 14 5.812 -4.480 -0.243 1.00 0.00 H ATOM 185 HA ASP A 14 7.517 -2.645 0.976 1.00 0.00 H ATOM 186 HB2 ASP A 14 7.629 -3.729 -1.324 1.00 0.00 H ATOM 187 HB3 ASP A 14 6.497 -2.494 -1.873 1.00 0.00 H ATOM 188 N TYR A 15 4.653 -1.374 0.093 1.00 0.00 N ATOM 189 CA TYR A 15 3.788 -0.169 0.223 1.00 0.00 C ATOM 190 C TYR A 15 3.340 -0.010 1.675 1.00 0.00 C ATOM 191 O TYR A 15 3.371 1.068 2.236 1.00 0.00 O ATOM 192 CB TYR A 15 2.584 -0.450 -0.680 1.00 0.00 C ATOM 193 CG TYR A 15 2.367 0.713 -1.618 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.522 2.026 -1.158 1.00 0.00 C ATOM 195 CD2 TYR A 15 2.006 0.476 -2.950 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.317 3.101 -2.029 1.00 0.00 C ATOM 197 CE2 TYR A 15 1.802 1.552 -3.822 1.00 0.00 C ATOM 198 CZ TYR A 15 1.958 2.865 -3.361 1.00 0.00 C ATOM 199 OH TYR A 15 1.756 3.925 -4.221 1.00 0.00 O ATOM 200 H TYR A 15 4.272 -2.220 -0.228 1.00 0.00 H ATOM 201 HA TYR A 15 4.307 0.711 -0.114 1.00 0.00 H ATOM 202 HB2 TYR A 15 2.767 -1.346 -1.254 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.703 -0.587 -0.070 1.00 0.00 H ATOM 204 HD1 TYR A 15 2.800 2.208 -0.130 1.00 0.00 H ATOM 205 HD2 TYR A 15 1.887 -0.536 -3.305 1.00 0.00 H ATOM 206 HE1 TYR A 15 2.437 4.114 -1.674 1.00 0.00 H ATOM 207 HE2 TYR A 15 1.524 1.370 -4.849 1.00 0.00 H ATOM 208 HH TYR A 15 2.616 4.231 -4.523 1.00 0.00 H ATOM 209 N CYS A 16 2.919 -1.082 2.282 1.00 0.00 N ATOM 210 CA CYS A 16 2.460 -1.013 3.699 1.00 0.00 C ATOM 211 C CYS A 16 3.253 -1.996 4.565 1.00 0.00 C ATOM 212 O CYS A 16 3.163 -3.196 4.388 1.00 0.00 O ATOM 213 CB CYS A 16 0.988 -1.413 3.644 1.00 0.00 C ATOM 214 SG CYS A 16 -0.033 0.072 3.474 1.00 0.00 S ATOM 215 H CYS A 16 2.901 -1.936 1.805 1.00 0.00 H ATOM 216 HA CYS A 16 2.556 -0.009 4.080 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.827 -2.060 2.794 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.718 -1.935 4.550 1.00 0.00 H HETATM 219 N NH2 A 17 4.035 -1.535 5.503 1.00 0.00 N HETATM 220 HN1 NH2 A 17 4.110 -0.569 5.647 1.00 0.00 H HETATM 221 HN2 NH2 A 17 4.546 -2.156 6.064 1.00 0.00 H TER 222 NH2 A 17 ENDMDL MODEL 20 ATOM 1 N GLY A 1 -2.320 3.797 -2.304 1.00 0.00 N ATOM 2 CA GLY A 1 -2.318 3.152 -0.960 1.00 0.00 C ATOM 3 C GLY A 1 -2.820 1.712 -1.086 1.00 0.00 C ATOM 4 O GLY A 1 -3.795 1.442 -1.757 1.00 0.00 O ATOM 5 H1 GLY A 1 -3.215 4.306 -2.443 1.00 0.00 H ATOM 6 H2 GLY A 1 -2.219 3.067 -3.039 1.00 0.00 H ATOM 7 H3 GLY A 1 -1.529 4.467 -2.369 1.00 0.00 H ATOM 8 HA2 GLY A 1 -1.312 3.152 -0.564 1.00 0.00 H ATOM 9 HA3 GLY A 1 -2.969 3.700 -0.296 1.00 0.00 H ATOM 10 N CYS A 2 -2.161 0.784 -0.447 1.00 0.00 N ATOM 11 CA CYS A 2 -2.603 -0.637 -0.533 1.00 0.00 C ATOM 12 C CYS A 2 -3.060 -1.134 0.841 1.00 0.00 C ATOM 13 O CYS A 2 -3.700 -2.160 0.960 1.00 0.00 O ATOM 14 CB CYS A 2 -1.370 -1.408 -1.001 1.00 0.00 C ATOM 15 SG CYS A 2 -1.144 -1.158 -2.780 1.00 0.00 S ATOM 16 H CYS A 2 -1.375 1.021 0.090 1.00 0.00 H ATOM 17 HA CYS A 2 -3.399 -0.739 -1.254 1.00 0.00 H ATOM 18 HB2 CYS A 2 -0.499 -1.049 -0.474 1.00 0.00 H ATOM 19 HB3 CYS A 2 -1.505 -2.460 -0.800 1.00 0.00 H ATOM 20 N CYS A 3 -2.736 -0.414 1.881 1.00 0.00 N ATOM 21 CA CYS A 3 -3.150 -0.846 3.241 1.00 0.00 C ATOM 22 C CYS A 3 -4.662 -1.056 3.281 1.00 0.00 C ATOM 23 O CYS A 3 -5.175 -1.808 4.087 1.00 0.00 O ATOM 24 CB CYS A 3 -2.743 0.301 4.166 1.00 0.00 C ATOM 25 SG CYS A 3 -1.031 0.069 4.699 1.00 0.00 S ATOM 26 H CYS A 3 -2.223 0.405 1.768 1.00 0.00 H ATOM 27 HA CYS A 3 -2.633 -1.747 3.517 1.00 0.00 H ATOM 28 HB2 CYS A 3 -2.831 1.239 3.636 1.00 0.00 H ATOM 29 HB3 CYS A 3 -3.391 0.313 5.030 1.00 0.00 H ATOM 30 N GLU A 4 -5.378 -0.405 2.407 1.00 0.00 N ATOM 31 CA GLU A 4 -6.858 -0.575 2.384 1.00 0.00 C ATOM 32 C GLU A 4 -7.213 -1.818 1.568 1.00 0.00 C ATOM 33 O GLU A 4 -8.369 -2.130 1.355 1.00 0.00 O ATOM 34 CB GLU A 4 -7.396 0.688 1.708 1.00 0.00 C ATOM 35 CG GLU A 4 -7.010 1.916 2.539 1.00 0.00 C ATOM 36 CD GLU A 4 -8.242 2.440 3.281 1.00 0.00 C ATOM 37 OE1 GLU A 4 -9.340 2.086 2.887 1.00 0.00 O ATOM 38 OE2 GLU A 4 -8.064 3.186 4.230 1.00 0.00 O ATOM 39 H GLU A 4 -4.940 0.187 1.760 1.00 0.00 H ATOM 40 HA GLU A 4 -7.247 -0.655 3.387 1.00 0.00 H ATOM 41 HB2 GLU A 4 -6.975 0.775 0.718 1.00 0.00 H ATOM 42 HB3 GLU A 4 -8.472 0.628 1.639 1.00 0.00 H ATOM 43 HG2 GLU A 4 -6.248 1.641 3.253 1.00 0.00 H ATOM 44 HG3 GLU A 4 -6.630 2.687 1.886 1.00 0.00 H ATOM 45 N ILE A 5 -6.220 -2.533 1.111 1.00 0.00 N ATOM 46 CA ILE A 5 -6.479 -3.757 0.310 1.00 0.00 C ATOM 47 C ILE A 5 -5.440 -4.825 0.659 1.00 0.00 C ATOM 48 O ILE A 5 -4.253 -4.595 0.536 1.00 0.00 O ATOM 49 CB ILE A 5 -6.327 -3.311 -1.144 1.00 0.00 C ATOM 50 CG1 ILE A 5 -7.544 -2.479 -1.551 1.00 0.00 C ATOM 51 CG2 ILE A 5 -6.225 -4.538 -2.047 1.00 0.00 C ATOM 52 CD1 ILE A 5 -7.090 -1.068 -1.924 1.00 0.00 C ATOM 53 H ILE A 5 -5.297 -2.261 1.296 1.00 0.00 H ATOM 54 HA ILE A 5 -7.478 -4.124 0.484 1.00 0.00 H ATOM 55 HB ILE A 5 -5.431 -2.716 -1.244 1.00 0.00 H ATOM 56 HG12 ILE A 5 -8.027 -2.940 -2.400 1.00 0.00 H ATOM 57 HG13 ILE A 5 -8.237 -2.425 -0.725 1.00 0.00 H ATOM 58 HG21 ILE A 5 -5.289 -4.512 -2.585 1.00 0.00 H ATOM 59 HG22 ILE A 5 -7.045 -4.536 -2.749 1.00 0.00 H ATOM 60 HG23 ILE A 5 -6.269 -5.433 -1.445 1.00 0.00 H ATOM 61 HD11 ILE A 5 -6.885 -1.025 -2.983 1.00 0.00 H ATOM 62 HD12 ILE A 5 -6.195 -0.822 -1.373 1.00 0.00 H ATOM 63 HD13 ILE A 5 -7.870 -0.363 -1.679 1.00 0.00 H ATOM 64 N PRO A 6 -5.919 -5.958 1.089 1.00 0.00 N ATOM 65 CA PRO A 6 -5.012 -7.069 1.468 1.00 0.00 C ATOM 66 C PRO A 6 -4.318 -7.639 0.231 1.00 0.00 C ATOM 67 O PRO A 6 -3.186 -8.076 0.287 1.00 0.00 O ATOM 68 CB PRO A 6 -5.949 -8.097 2.098 1.00 0.00 C ATOM 69 CG PRO A 6 -7.290 -7.801 1.508 1.00 0.00 C ATOM 70 CD PRO A 6 -7.331 -6.317 1.260 1.00 0.00 C ATOM 71 HA PRO A 6 -4.287 -6.736 2.191 1.00 0.00 H ATOM 72 HB2 PRO A 6 -5.634 -9.099 1.840 1.00 0.00 H ATOM 73 HB3 PRO A 6 -5.980 -7.973 3.169 1.00 0.00 H ATOM 74 HG2 PRO A 6 -7.411 -8.340 0.578 1.00 0.00 H ATOM 75 HG3 PRO A 6 -8.069 -8.076 2.201 1.00 0.00 H ATOM 76 HD2 PRO A 6 -7.894 -6.098 0.362 1.00 0.00 H ATOM 77 HD3 PRO A 6 -7.747 -5.799 2.109 1.00 0.00 H ATOM 78 N ALA A 7 -4.986 -7.633 -0.888 1.00 0.00 N ATOM 79 CA ALA A 7 -4.364 -8.167 -2.124 1.00 0.00 C ATOM 80 C ALA A 7 -3.067 -7.416 -2.417 1.00 0.00 C ATOM 81 O ALA A 7 -2.102 -7.977 -2.897 1.00 0.00 O ATOM 82 CB ALA A 7 -5.389 -7.913 -3.227 1.00 0.00 C ATOM 83 H ALA A 7 -5.891 -7.275 -0.914 1.00 0.00 H ATOM 84 HA ALA A 7 -4.181 -9.219 -2.025 1.00 0.00 H ATOM 85 HB1 ALA A 7 -5.574 -8.831 -3.763 1.00 0.00 H ATOM 86 HB2 ALA A 7 -5.005 -7.169 -3.909 1.00 0.00 H ATOM 87 HB3 ALA A 7 -6.309 -7.559 -2.788 1.00 0.00 H ATOM 88 N CYS A 8 -3.041 -6.145 -2.127 1.00 0.00 N ATOM 89 CA CYS A 8 -1.810 -5.347 -2.381 1.00 0.00 C ATOM 90 C CYS A 8 -0.958 -5.278 -1.114 1.00 0.00 C ATOM 91 O CYS A 8 0.248 -5.169 -1.171 1.00 0.00 O ATOM 92 CB CYS A 8 -2.306 -3.954 -2.776 1.00 0.00 C ATOM 93 SG CYS A 8 -0.945 -3.025 -3.525 1.00 0.00 S ATOM 94 H CYS A 8 -3.833 -5.717 -1.739 1.00 0.00 H ATOM 95 HA CYS A 8 -1.244 -5.779 -3.189 1.00 0.00 H ATOM 96 HB2 CYS A 8 -3.112 -4.049 -3.488 1.00 0.00 H ATOM 97 HB3 CYS A 8 -2.658 -3.435 -1.898 1.00 0.00 H ATOM 98 N ILE A 9 -1.570 -5.340 0.034 1.00 0.00 N ATOM 99 CA ILE A 9 -0.781 -5.279 1.286 1.00 0.00 C ATOM 100 C ILE A 9 -0.069 -6.616 1.518 1.00 0.00 C ATOM 101 O ILE A 9 1.076 -6.661 1.921 1.00 0.00 O ATOM 102 CB ILE A 9 -1.803 -4.960 2.393 1.00 0.00 C ATOM 103 CG1 ILE A 9 -1.195 -3.938 3.354 1.00 0.00 C ATOM 104 CG2 ILE A 9 -2.183 -6.224 3.175 1.00 0.00 C ATOM 105 CD1 ILE A 9 -2.088 -3.798 4.589 1.00 0.00 C ATOM 106 H ILE A 9 -2.537 -5.421 0.073 1.00 0.00 H ATOM 107 HA ILE A 9 -0.065 -4.490 1.212 1.00 0.00 H ATOM 108 HB ILE A 9 -2.692 -4.541 1.944 1.00 0.00 H ATOM 109 HG12 ILE A 9 -0.212 -4.268 3.655 1.00 0.00 H ATOM 110 HG13 ILE A 9 -1.119 -2.983 2.860 1.00 0.00 H ATOM 111 HG21 ILE A 9 -2.471 -7.002 2.485 1.00 0.00 H ATOM 112 HG22 ILE A 9 -3.007 -6.003 3.836 1.00 0.00 H ATOM 113 HG23 ILE A 9 -1.334 -6.554 3.757 1.00 0.00 H ATOM 114 HD11 ILE A 9 -1.686 -3.037 5.240 1.00 0.00 H ATOM 115 HD12 ILE A 9 -2.123 -4.741 5.116 1.00 0.00 H ATOM 116 HD13 ILE A 9 -3.086 -3.520 4.283 1.00 0.00 H ATOM 117 N MET A 10 -0.742 -7.701 1.262 1.00 0.00 N ATOM 118 CA MET A 10 -0.118 -9.030 1.457 1.00 0.00 C ATOM 119 C MET A 10 0.807 -9.352 0.283 1.00 0.00 C ATOM 120 O MET A 10 1.813 -10.015 0.433 1.00 0.00 O ATOM 121 CB MET A 10 -1.286 -10.014 1.508 1.00 0.00 C ATOM 122 CG MET A 10 -1.011 -11.075 2.577 1.00 0.00 C ATOM 123 SD MET A 10 -2.204 -12.424 2.410 1.00 0.00 S ATOM 124 CE MET A 10 -1.780 -13.292 3.942 1.00 0.00 C ATOM 125 H MET A 10 -1.656 -7.641 0.940 1.00 0.00 H ATOM 126 HA MET A 10 0.420 -9.049 2.382 1.00 0.00 H ATOM 127 HB2 MET A 10 -2.193 -9.483 1.750 1.00 0.00 H ATOM 128 HB3 MET A 10 -1.393 -10.494 0.547 1.00 0.00 H ATOM 129 HG2 MET A 10 -0.010 -11.461 2.453 1.00 0.00 H ATOM 130 HG3 MET A 10 -1.106 -10.630 3.557 1.00 0.00 H ATOM 131 HE1 MET A 10 -2.673 -13.732 4.364 1.00 0.00 H ATOM 132 HE2 MET A 10 -1.351 -12.590 4.644 1.00 0.00 H ATOM 133 HE3 MET A 10 -1.063 -14.069 3.731 1.00 0.00 H ATOM 134 N ASN A 11 0.470 -8.881 -0.886 1.00 0.00 N ATOM 135 CA ASN A 11 1.327 -9.154 -2.076 1.00 0.00 C ATOM 136 C ASN A 11 2.248 -7.963 -2.344 1.00 0.00 C ATOM 137 O ASN A 11 3.292 -8.099 -2.950 1.00 0.00 O ATOM 138 CB ASN A 11 0.351 -9.348 -3.237 1.00 0.00 C ATOM 139 CG ASN A 11 -0.715 -10.372 -2.845 1.00 0.00 C ATOM 140 OD1 ASN A 11 -0.494 -11.198 -1.982 1.00 0.00 O ATOM 141 ND2 ASN A 11 -1.872 -10.353 -3.448 1.00 0.00 N ATOM 142 H ASN A 11 -0.346 -8.347 -0.983 1.00 0.00 H ATOM 143 HA ASN A 11 1.904 -10.052 -1.926 1.00 0.00 H ATOM 144 HB2 ASN A 11 -0.122 -8.406 -3.469 1.00 0.00 H ATOM 145 HB3 ASN A 11 0.888 -9.704 -4.102 1.00 0.00 H ATOM 146 HD21 ASN A 11 -2.051 -9.688 -4.144 1.00 0.00 H ATOM 147 HD22 ASN A 11 -2.562 -11.005 -3.205 1.00 0.00 H ATOM 148 N ASN A 12 1.871 -6.794 -1.900 1.00 0.00 N ATOM 149 CA ASN A 12 2.734 -5.600 -2.137 1.00 0.00 C ATOM 150 C ASN A 12 3.033 -4.889 -0.815 1.00 0.00 C ATOM 151 O ASN A 12 2.451 -3.866 -0.512 1.00 0.00 O ATOM 152 CB ASN A 12 1.921 -4.695 -3.062 1.00 0.00 C ATOM 153 CG ASN A 12 2.567 -4.671 -4.448 1.00 0.00 C ATOM 154 OD1 ASN A 12 3.499 -3.928 -4.684 1.00 0.00 O ATOM 155 ND2 ASN A 12 2.108 -5.458 -5.381 1.00 0.00 N ATOM 156 H ASN A 12 1.021 -6.699 -1.411 1.00 0.00 H ATOM 157 HA ASN A 12 3.652 -5.891 -2.622 1.00 0.00 H ATOM 158 HB2 ASN A 12 0.914 -5.075 -3.144 1.00 0.00 H ATOM 159 HB3 ASN A 12 1.899 -3.694 -2.660 1.00 0.00 H ATOM 160 HD21 ASN A 12 1.356 -6.056 -5.189 1.00 0.00 H ATOM 161 HD22 ASN A 12 2.514 -5.452 -6.273 1.00 0.00 H ATOM 162 N PRO A 13 3.941 -5.460 -0.070 1.00 0.00 N ATOM 163 CA PRO A 13 4.334 -4.879 1.237 1.00 0.00 C ATOM 164 C PRO A 13 5.160 -3.607 1.026 1.00 0.00 C ATOM 165 O PRO A 13 5.338 -2.814 1.928 1.00 0.00 O ATOM 166 CB PRO A 13 5.180 -5.978 1.877 1.00 0.00 C ATOM 167 CG PRO A 13 5.703 -6.781 0.729 1.00 0.00 C ATOM 168 CD PRO A 13 4.681 -6.690 -0.375 1.00 0.00 C ATOM 169 HA PRO A 13 3.465 -4.678 1.844 1.00 0.00 H ATOM 170 HB2 PRO A 13 5.996 -5.544 2.438 1.00 0.00 H ATOM 171 HB3 PRO A 13 4.571 -6.600 2.514 1.00 0.00 H ATOM 172 HG2 PRO A 13 6.647 -6.373 0.396 1.00 0.00 H ATOM 173 HG3 PRO A 13 5.828 -7.811 1.024 1.00 0.00 H ATOM 174 HD2 PRO A 13 5.168 -6.614 -1.337 1.00 0.00 H ATOM 175 HD3 PRO A 13 4.015 -7.539 -0.349 1.00 0.00 H ATOM 176 N ASP A 14 5.659 -3.405 -0.163 1.00 0.00 N ATOM 177 CA ASP A 14 6.463 -2.185 -0.438 1.00 0.00 C ATOM 178 C ASP A 14 5.696 -0.954 0.034 1.00 0.00 C ATOM 179 O ASP A 14 6.266 0.078 0.328 1.00 0.00 O ATOM 180 CB ASP A 14 6.638 -2.161 -1.957 1.00 0.00 C ATOM 181 CG ASP A 14 7.875 -1.339 -2.320 1.00 0.00 C ATOM 182 OD1 ASP A 14 8.541 -0.874 -1.410 1.00 0.00 O ATOM 183 OD2 ASP A 14 8.135 -1.189 -3.503 1.00 0.00 O ATOM 184 H ASP A 14 5.498 -4.050 -0.875 1.00 0.00 H ATOM 185 HA ASP A 14 7.421 -2.250 0.046 1.00 0.00 H ATOM 186 HB2 ASP A 14 6.756 -3.171 -2.321 1.00 0.00 H ATOM 187 HB3 ASP A 14 5.766 -1.715 -2.412 1.00 0.00 H ATOM 188 N TYR A 15 4.401 -1.064 0.107 1.00 0.00 N ATOM 189 CA TYR A 15 3.580 0.093 0.562 1.00 0.00 C ATOM 190 C TYR A 15 3.204 -0.075 2.030 1.00 0.00 C ATOM 191 O TYR A 15 3.294 0.847 2.816 1.00 0.00 O ATOM 192 CB TYR A 15 2.329 0.061 -0.313 1.00 0.00 C ATOM 193 CG TYR A 15 2.354 1.239 -1.252 1.00 0.00 C ATOM 194 CD1 TYR A 15 2.689 2.509 -0.770 1.00 0.00 C ATOM 195 CD2 TYR A 15 2.048 1.057 -2.603 1.00 0.00 C ATOM 196 CE1 TYR A 15 2.718 3.601 -1.646 1.00 0.00 C ATOM 197 CE2 TYR A 15 2.077 2.148 -3.479 1.00 0.00 C ATOM 198 CZ TYR A 15 2.413 3.421 -3.001 1.00 0.00 C ATOM 199 OH TYR A 15 2.443 4.498 -3.864 1.00 0.00 O ATOM 200 H TYR A 15 3.968 -1.911 -0.135 1.00 0.00 H ATOM 201 HA TYR A 15 4.112 1.015 0.412 1.00 0.00 H ATOM 202 HB2 TYR A 15 2.308 -0.857 -0.883 1.00 0.00 H ATOM 203 HB3 TYR A 15 1.450 0.118 0.311 1.00 0.00 H ATOM 204 HD1 TYR A 15 2.924 2.645 0.277 1.00 0.00 H ATOM 205 HD2 TYR A 15 1.790 0.074 -2.967 1.00 0.00 H ATOM 206 HE1 TYR A 15 2.977 4.583 -1.276 1.00 0.00 H ATOM 207 HE2 TYR A 15 1.840 2.007 -4.524 1.00 0.00 H ATOM 208 HH TYR A 15 3.282 4.950 -3.747 1.00 0.00 H ATOM 209 N CYS A 16 2.782 -1.245 2.405 1.00 0.00 N ATOM 210 CA CYS A 16 2.397 -1.470 3.822 1.00 0.00 C ATOM 211 C CYS A 16 3.334 -2.496 4.471 1.00 0.00 C ATOM 212 O CYS A 16 4.539 -2.394 4.360 1.00 0.00 O ATOM 213 CB CYS A 16 0.965 -2.000 3.762 1.00 0.00 C ATOM 214 SG CYS A 16 -0.112 -0.714 3.081 1.00 0.00 S ATOM 215 H CYS A 16 2.717 -1.973 1.754 1.00 0.00 H ATOM 216 HA CYS A 16 2.422 -0.538 4.362 1.00 0.00 H ATOM 217 HB2 CYS A 16 0.929 -2.874 3.129 1.00 0.00 H ATOM 218 HB3 CYS A 16 0.633 -2.260 4.756 1.00 0.00 H HETATM 219 N NH2 A 17 2.829 -3.491 5.148 1.00 0.00 N HETATM 220 HN1 NH2 A 17 1.858 -3.578 5.241 1.00 0.00 H HETATM 221 HN2 NH2 A 17 3.421 -4.151 5.563 1.00 0.00 H TER 222 NH2 A 17 ENDMDL CONECT 15 93 CONECT 25 214 CONECT 93 15 CONECT 214 25 CONECT 219 220 221 CONECT 220 219 CONECT 221 219 MASTER 103 0 1 1 0 0 0 6 117 1 7 2 END