HEADER TOXIN 09-NOV-09 SMS20107 TITLE NMR STRUCTURE OF CONOTOXIN IMI ANALOGUE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-CONOTOXIN IMI; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CONOTOXIN IMI, ALPHA-CTX IMI; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: IMI CONOTOXIN ANALOGUE CONTAINING A9L, W10Y AND COMPND 7 R11AMINOBUTYRIC ACID MUTATIONS. SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS; SOURCE 4 ORGANISM_COMMON: IMPERIAL CONE; SOURCE 5 ORGANISM_TAXID: 35631; SOURCE 6 OTHER_DETAILS: SYNTHESIZED BY SOLID-PHASE PEPTIDE SYNTHESIS KEYWDS CONOTOXIN, TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR R.J.CLARK,C.J.ARMISHAW JRNL AUTH C.J.ARMISHAW,N.SINGH,J.L.MEDINA-FRANCO,R.J.CLARK, JRNL AUTH 2 K.C.M.SCOTT,R.A.HOUGHTEN,A.A.JENSEN JRNL TITL A SYNTHETIC COMBINATORIAL STRATEGY FOR DEVELOPING JRNL TITL 2 ALPHA-CONOTOXIN ANALOGS AS POTENT ALPHA7 NICOTINIC JRNL TITL 3 ACETYLCHOLINE RECEPTOR ANTAGONISTS JRNL REF J.BIOL.CHEM. V. 285 1809 2010 JRNL REFN ISSN 0021-9258 JRNL PMID 19901032 JRNL DOI 10.1074/JBC.M109.071183 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 2.0 REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20107. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 280 REMARK 210 PH : 3.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1MM [A9L, W10Y, R11ABA]IMI; 90% REMARK 210 H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY; REMARK 210 2D DQF-COSY 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 : CNS 2.1, CYANA 2.0, SPARKY REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 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 HB3 ASP A 5 HB3 CYS A 8 1.48 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 8 CYS A 3 0.87 -64.26 REMARK 500 19 PRO A 6 -9.70 -58.81 REMARK 500 20 CYS A 3 2.79 -64.99 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20107 RELATED DB: BMRB REMARK 900 RELATED ID: 1IM1 RELATED DB: PDB REMARK 900 CONOTOXIN IMI REMARK 900 RELATED ID: 1CNL RELATED DB: PDB REMARK 900 CONOTOXIN IMI REMARK 999 REMARK 999 SEQUENCE REMARK 999 THIS PEPTIDE IS AN ANALOGUE OF CONOTOXIN IMI, DESIGNED TO A9L, REMARK 999 W10Y, R11ABA. DBREF A 1 12 UNP P50983 CA1_CONIM 5 16 SEQADV LEU A 9 UNP P50983 ALA 13 SEE REMARK 999 SEQADV TYR A 10 UNP P50983 TRP 14 SEE REMARK 999 SEQADV ABA A 11 UNP P50983 ARG 15 SEE REMARK 999 SEQADV NH2 A 13 UNP P50983 AMIDATION SEQRES 1 A 13 GLY CYS CYS SER ASP PRO ARG CYS LEU TYR ABA CYS NH2 HET ABA A 11 13 HET NH2 A 13 3 HETNAM ABA ALPHA-AMINOBUTYRIC ACID HETNAM NH2 AMINO GROUP FORMUL 1 ABA C4 H9 N O2 FORMUL 1 NH2 H2 N HELIX 1 1 GLY A 1 ASP A 5 5 5 SSBOND 1 CYS A 2 CYS A 8 1555 1555 2.03 SSBOND 2 CYS A 3 CYS A 12 1555 1555 2.03 LINK C TYR A 10 N ABA A 11 1555 1555 1.32 LINK C ABA A 11 N CYS A 12 1555 1555 1.33 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N GLY A 1 -0.767 8.183 -3.558 1.00 0.00 N ATOM 2 CA GLY A 1 -1.925 7.506 -3.001 1.00 0.00 C ATOM 3 C GLY A 1 -1.679 6.023 -2.827 1.00 0.00 C ATOM 4 O GLY A 1 -2.448 5.329 -2.166 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.881 9.050 -4.005 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.157 7.939 -2.039 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.767 7.646 -3.663 1.00 0.00 H ATOM 8 N CYS A 2 -0.583 5.552 -3.408 1.00 0.00 N ATOM 9 CA CYS A 2 -0.208 4.141 -3.334 1.00 0.00 C ATOM 10 C CYS A 2 0.004 3.715 -1.888 1.00 0.00 C ATOM 11 O CYS A 2 -0.274 2.583 -1.515 1.00 0.00 O ATOM 12 CB CYS A 2 1.073 3.894 -4.143 1.00 0.00 C ATOM 13 SG CYS A 2 1.277 2.188 -4.758 1.00 0.00 S ATOM 14 H CYS A 2 -0.010 6.172 -3.905 1.00 0.00 H ATOM 15 HA CYS A 2 -1.009 3.562 -3.754 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.077 4.551 -4.999 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.927 4.123 -3.521 1.00 0.00 H ATOM 18 N CYS A 3 0.432 4.661 -1.072 1.00 0.00 N ATOM 19 CA CYS A 3 0.717 4.408 0.340 1.00 0.00 C ATOM 20 C CYS A 3 -0.534 3.995 1.121 1.00 0.00 C ATOM 21 O CYS A 3 -0.438 3.589 2.274 1.00 0.00 O ATOM 22 CB CYS A 3 1.338 5.655 0.972 1.00 0.00 C ATOM 23 SG CYS A 3 2.506 5.312 2.328 1.00 0.00 S ATOM 24 H CYS A 3 0.554 5.561 -1.426 1.00 0.00 H ATOM 25 HA CYS A 3 1.434 3.602 0.388 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.874 6.205 0.212 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.549 6.278 1.367 1.00 0.00 H ATOM 28 N SER A 4 -1.705 4.091 0.503 1.00 0.00 N ATOM 29 CA SER A 4 -2.934 3.717 1.182 1.00 0.00 C ATOM 30 C SER A 4 -3.633 2.567 0.461 1.00 0.00 C ATOM 31 O SER A 4 -4.764 2.208 0.792 1.00 0.00 O ATOM 32 CB SER A 4 -3.864 4.930 1.298 1.00 0.00 C ATOM 33 OG SER A 4 -4.942 4.673 2.181 1.00 0.00 O ATOM 34 H SER A 4 -1.743 4.412 -0.423 1.00 0.00 H ATOM 35 HA SER A 4 -2.662 3.383 2.175 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.306 5.774 1.672 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.263 5.168 0.323 1.00 0.00 H ATOM 38 HG SER A 4 -5.283 3.785 2.016 1.00 0.00 H ATOM 39 N ASP A 5 -2.955 1.991 -0.520 1.00 0.00 N ATOM 40 CA ASP A 5 -3.501 0.869 -1.274 1.00 0.00 C ATOM 41 C ASP A 5 -3.327 -0.402 -0.448 1.00 0.00 C ATOM 42 O ASP A 5 -2.279 -0.605 0.143 1.00 0.00 O ATOM 43 CB ASP A 5 -2.780 0.750 -2.624 1.00 0.00 C ATOM 44 CG ASP A 5 -3.174 -0.484 -3.411 1.00 0.00 C ATOM 45 OD1 ASP A 5 -2.562 -1.548 -3.203 1.00 0.00 O ATOM 46 OD2 ASP A 5 -4.080 -0.391 -4.259 1.00 0.00 O ATOM 47 H ASP A 5 -2.053 2.315 -0.733 1.00 0.00 H ATOM 48 HA ASP A 5 -4.553 1.048 -1.439 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.010 1.618 -3.221 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.714 0.715 -2.448 1.00 0.00 H ATOM 51 N PRO A 6 -4.344 -1.274 -0.385 1.00 0.00 N ATOM 52 CA PRO A 6 -4.283 -2.515 0.412 1.00 0.00 C ATOM 53 C PRO A 6 -3.102 -3.425 0.061 1.00 0.00 C ATOM 54 O PRO A 6 -2.755 -4.329 0.818 1.00 0.00 O ATOM 55 CB PRO A 6 -5.608 -3.214 0.088 1.00 0.00 C ATOM 56 CG PRO A 6 -6.515 -2.127 -0.377 1.00 0.00 C ATOM 57 CD PRO A 6 -5.638 -1.124 -1.072 1.00 0.00 C ATOM 58 HA PRO A 6 -4.245 -2.292 1.464 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.448 -3.953 -0.684 1.00 0.00 H ATOM 60 HB3 PRO A 6 -5.992 -3.693 0.977 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.245 -2.526 -1.064 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.005 -1.671 0.470 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.549 -1.364 -2.122 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.030 -0.126 -0.943 1.00 0.00 H ATOM 65 N ARG A 7 -2.490 -3.173 -1.078 1.00 0.00 N ATOM 66 CA ARG A 7 -1.359 -3.956 -1.547 1.00 0.00 C ATOM 67 C ARG A 7 -0.086 -3.109 -1.586 1.00 0.00 C ATOM 68 O ARG A 7 1.028 -3.625 -1.684 1.00 0.00 O ATOM 69 CB ARG A 7 -1.713 -4.507 -2.934 1.00 0.00 C ATOM 70 CG ARG A 7 -0.546 -4.664 -3.895 1.00 0.00 C ATOM 71 CD ARG A 7 -0.963 -4.313 -5.317 1.00 0.00 C ATOM 72 NE ARG A 7 -1.833 -3.132 -5.367 1.00 0.00 N ATOM 73 CZ ARG A 7 -2.320 -2.603 -6.491 1.00 0.00 C ATOM 74 NH1 ARG A 7 -1.988 -3.119 -7.672 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.138 -1.560 -6.433 1.00 0.00 N ATOM 76 H ARG A 7 -2.815 -2.430 -1.639 1.00 0.00 H ATOM 77 HA ARG A 7 -1.213 -4.775 -0.866 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.169 -5.472 -2.808 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.433 -3.842 -3.392 1.00 0.00 H ATOM 80 HG2 ARG A 7 0.253 -4.004 -3.590 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.204 -5.688 -3.869 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.076 -4.119 -5.901 1.00 0.00 H ATOM 83 HD3 ARG A 7 -1.492 -5.156 -5.739 1.00 0.00 H ATOM 84 HE ARG A 7 -2.081 -2.711 -4.499 1.00 0.00 H ATOM 85 HH11 ARG A 7 -1.371 -3.904 -7.721 1.00 0.00 H ATOM 86 HH12 ARG A 7 -2.353 -2.721 -8.515 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.398 -1.161 -5.533 1.00 0.00 H ATOM 88 HH22 ARG A 7 -3.505 -1.155 -7.269 1.00 0.00 H ATOM 89 N CYS A 8 -0.266 -1.814 -1.446 1.00 0.00 N ATOM 90 CA CYS A 8 0.845 -0.865 -1.511 1.00 0.00 C ATOM 91 C CYS A 8 0.962 -0.048 -0.220 1.00 0.00 C ATOM 92 O CYS A 8 1.711 0.921 -0.140 1.00 0.00 O ATOM 93 CB CYS A 8 0.629 0.039 -2.734 1.00 0.00 C ATOM 94 SG CYS A 8 2.010 1.149 -3.171 1.00 0.00 S ATOM 95 H CYS A 8 -1.180 -1.484 -1.286 1.00 0.00 H ATOM 96 HA CYS A 8 1.749 -1.429 -1.640 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.440 -0.585 -3.593 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.241 0.655 -2.557 1.00 0.00 H ATOM 99 N LEU A 9 0.235 -0.480 0.794 1.00 0.00 N ATOM 100 CA LEU A 9 0.223 0.178 2.095 1.00 0.00 C ATOM 101 C LEU A 9 1.556 -0.001 2.817 1.00 0.00 C ATOM 102 O LEU A 9 2.101 0.934 3.393 1.00 0.00 O ATOM 103 CB LEU A 9 -0.895 -0.430 2.935 1.00 0.00 C ATOM 104 CG LEU A 9 -2.018 0.531 3.337 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.265 -0.245 3.727 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.570 1.424 4.484 1.00 0.00 C ATOM 107 H LEU A 9 -0.341 -1.260 0.658 1.00 0.00 H ATOM 108 HA LEU A 9 0.023 1.234 1.949 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.329 -1.240 2.363 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.460 -0.839 3.832 1.00 0.00 H ATOM 111 HG LEU A 9 -2.264 1.162 2.494 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.605 -0.828 2.883 1.00 0.00 H ATOM 113 HD12 LEU A 9 -4.041 0.446 4.023 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.037 -0.904 4.551 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.315 0.812 5.337 1.00 0.00 H ATOM 116 HD22 LEU A 9 -2.371 2.097 4.750 1.00 0.00 H ATOM 117 HD23 LEU A 9 -0.705 1.996 4.180 1.00 0.00 H ATOM 118 N TYR A 10 2.072 -1.221 2.773 1.00 0.00 N ATOM 119 CA TYR A 10 3.330 -1.555 3.435 1.00 0.00 C ATOM 120 C TYR A 10 4.527 -1.249 2.542 1.00 0.00 C ATOM 121 O TYR A 10 5.670 -1.239 2.995 1.00 0.00 O ATOM 122 CB TYR A 10 3.333 -3.033 3.839 1.00 0.00 C ATOM 123 CG TYR A 10 2.963 -3.985 2.718 1.00 0.00 C ATOM 124 CD1 TYR A 10 1.632 -4.233 2.398 1.00 0.00 C ATOM 125 CD2 TYR A 10 3.943 -4.637 1.982 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.291 -5.097 1.377 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.610 -5.503 0.960 1.00 0.00 C ATOM 128 CZ TYR A 10 2.285 -5.730 0.661 1.00 0.00 C ATOM 129 OH TYR A 10 1.952 -6.590 -0.358 1.00 0.00 O ATOM 130 H TYR A 10 1.592 -1.920 2.286 1.00 0.00 H ATOM 131 HA TYR A 10 3.401 -0.951 4.327 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.318 -3.302 4.187 1.00 0.00 H ATOM 133 HB3 TYR A 10 2.624 -3.174 4.637 1.00 0.00 H ATOM 134 HD1 TYR A 10 0.856 -3.734 2.961 1.00 0.00 H ATOM 135 HD2 TYR A 10 4.982 -4.458 2.219 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.252 -5.275 1.144 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.389 -5.999 0.398 1.00 0.00 H ATOM 138 HH TYR A 10 1.318 -6.164 -0.941 1.00 0.00 H HETATM 139 N ABA A 11 4.258 -1.010 1.272 1.00 0.00 N HETATM 140 CA ABA A 11 5.306 -0.700 0.308 1.00 0.00 C HETATM 141 C ABA A 11 4.863 0.434 -0.602 1.00 0.00 C HETATM 142 O ABA A 11 4.603 0.222 -1.783 1.00 0.00 O HETATM 143 CB ABA A 11 5.666 -1.929 -0.535 1.00 0.00 C HETATM 144 CG ABA A 11 6.440 -2.986 0.222 1.00 0.00 C HETATM 145 H ABA A 11 3.325 -1.026 0.978 1.00 0.00 H HETATM 146 HA ABA A 11 6.180 -0.383 0.859 1.00 0.00 H HETATM 147 HB3 ABA A 11 6.267 -1.615 -1.376 1.00 0.00 H HETATM 148 HB2 ABA A 11 4.757 -2.384 -0.899 1.00 0.00 H HETATM 149 HG1 ABA A 11 6.222 -2.906 1.276 1.00 0.00 H HETATM 150 HG3 ABA A 11 7.498 -2.842 0.061 1.00 0.00 H HETATM 151 HG2 ABA A 11 6.152 -3.966 -0.132 1.00 0.00 H ATOM 152 N CYS A 12 4.767 1.630 -0.033 1.00 0.00 N ATOM 153 CA CYS A 12 4.350 2.814 -0.778 1.00 0.00 C ATOM 154 C CYS A 12 5.344 3.154 -1.887 1.00 0.00 C ATOM 155 O CYS A 12 6.338 3.840 -1.656 1.00 0.00 O ATOM 156 CB CYS A 12 4.212 4.002 0.175 1.00 0.00 C ATOM 157 SG CYS A 12 3.421 3.589 1.764 1.00 0.00 S ATOM 158 H CYS A 12 4.967 1.720 0.921 1.00 0.00 H ATOM 159 HA CYS A 12 3.388 2.607 -1.222 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.193 4.399 0.389 1.00 0.00 H ATOM 161 HB3 CYS A 12 3.615 4.767 -0.300 1.00 0.00 H HETATM 162 N NH2 A 13 5.069 2.677 -3.093 1.00 0.00 N HETATM 163 HN1 NH2 A 13 4.257 2.134 -3.202 1.00 0.00 H HETATM 164 HN2 NH2 A 13 5.687 2.881 -3.823 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 2 ATOM 1 N GLY A 1 -1.204 7.255 -4.384 1.00 0.00 N ATOM 2 CA GLY A 1 -2.194 6.687 -3.487 1.00 0.00 C ATOM 3 C GLY A 1 -1.789 5.315 -2.996 1.00 0.00 C ATOM 4 O GLY A 1 -2.438 4.740 -2.125 1.00 0.00 O ATOM 5 H1 GLY A 1 -1.470 7.953 -5.021 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.316 7.343 -2.637 1.00 0.00 H ATOM 7 HA3 GLY A 1 -3.137 6.609 -4.009 1.00 0.00 H ATOM 8 N CYS A 2 -0.692 4.809 -3.548 1.00 0.00 N ATOM 9 CA CYS A 2 -0.170 3.492 -3.188 1.00 0.00 C ATOM 10 C CYS A 2 0.113 3.390 -1.695 1.00 0.00 C ATOM 11 O CYS A 2 -0.103 2.348 -1.087 1.00 0.00 O ATOM 12 CB CYS A 2 1.100 3.192 -3.998 1.00 0.00 C ATOM 13 SG CYS A 2 2.321 2.137 -3.145 1.00 0.00 S ATOM 14 H CYS A 2 -0.219 5.339 -4.224 1.00 0.00 H ATOM 15 HA CYS A 2 -0.920 2.768 -3.440 1.00 0.00 H ATOM 16 HB2 CYS A 2 0.820 2.689 -4.912 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.586 4.124 -4.245 1.00 0.00 H ATOM 18 N CYS A 3 0.531 4.498 -1.109 1.00 0.00 N ATOM 19 CA CYS A 3 0.866 4.554 0.316 1.00 0.00 C ATOM 20 C CYS A 3 -0.329 4.182 1.205 1.00 0.00 C ATOM 21 O CYS A 3 -0.164 3.903 2.388 1.00 0.00 O ATOM 22 CB CYS A 3 1.366 5.955 0.676 1.00 0.00 C ATOM 23 SG CYS A 3 2.584 5.971 2.028 1.00 0.00 S ATOM 24 H CYS A 3 0.613 5.306 -1.648 1.00 0.00 H ATOM 25 HA CYS A 3 1.667 3.846 0.500 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.832 6.399 -0.190 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.527 6.563 0.980 1.00 0.00 H ATOM 28 N SER A 4 -1.532 4.176 0.642 1.00 0.00 N ATOM 29 CA SER A 4 -2.712 3.833 1.417 1.00 0.00 C ATOM 30 C SER A 4 -3.550 2.779 0.699 1.00 0.00 C ATOM 31 O SER A 4 -4.704 2.536 1.056 1.00 0.00 O ATOM 32 CB SER A 4 -3.545 5.091 1.695 1.00 0.00 C ATOM 33 OG SER A 4 -4.556 4.842 2.657 1.00 0.00 O ATOM 34 H SER A 4 -1.627 4.398 -0.308 1.00 0.00 H ATOM 35 HA SER A 4 -2.371 3.417 2.356 1.00 0.00 H ATOM 36 HB2 SER A 4 -2.898 5.871 2.068 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.011 5.419 0.779 1.00 0.00 H ATOM 38 HG SER A 4 -4.974 3.994 2.466 1.00 0.00 H ATOM 39 N ASP A 5 -2.962 2.152 -0.308 1.00 0.00 N ATOM 40 CA ASP A 5 -3.646 1.114 -1.067 1.00 0.00 C ATOM 41 C ASP A 5 -3.536 -0.205 -0.309 1.00 0.00 C ATOM 42 O ASP A 5 -2.471 -0.537 0.192 1.00 0.00 O ATOM 43 CB ASP A 5 -3.034 0.992 -2.467 1.00 0.00 C ATOM 44 CG ASP A 5 -3.525 -0.226 -3.222 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.603 -0.159 -3.844 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.826 -1.261 -3.201 1.00 0.00 O ATOM 47 H ASP A 5 -2.034 2.377 -0.535 1.00 0.00 H ATOM 48 HA ASP A 5 -4.688 1.387 -1.151 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.289 1.871 -3.041 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.959 0.928 -2.377 1.00 0.00 H ATOM 51 N PRO A 6 -4.627 -0.977 -0.213 1.00 0.00 N ATOM 52 CA PRO A 6 -4.650 -2.250 0.529 1.00 0.00 C ATOM 53 C PRO A 6 -3.612 -3.278 0.066 1.00 0.00 C ATOM 54 O PRO A 6 -3.369 -4.269 0.753 1.00 0.00 O ATOM 55 CB PRO A 6 -6.070 -2.785 0.295 1.00 0.00 C ATOM 56 CG PRO A 6 -6.590 -2.023 -0.877 1.00 0.00 C ATOM 57 CD PRO A 6 -5.935 -0.675 -0.813 1.00 0.00 C ATOM 58 HA PRO A 6 -4.507 -2.076 1.581 1.00 0.00 H ATOM 59 HB2 PRO A 6 -6.027 -3.844 0.089 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.670 -2.610 1.175 1.00 0.00 H ATOM 61 HG2 PRO A 6 -6.320 -2.528 -1.793 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.663 -1.923 -0.804 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.821 -0.262 -1.805 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.503 -0.006 -0.184 1.00 0.00 H ATOM 65 N ARG A 7 -3.002 -3.042 -1.080 1.00 0.00 N ATOM 66 CA ARG A 7 -2.003 -3.955 -1.612 1.00 0.00 C ATOM 67 C ARG A 7 -0.656 -3.250 -1.760 1.00 0.00 C ATOM 68 O ARG A 7 0.379 -3.873 -1.993 1.00 0.00 O ATOM 69 CB ARG A 7 -2.514 -4.508 -2.952 1.00 0.00 C ATOM 70 CG ARG A 7 -1.438 -4.870 -3.966 1.00 0.00 C ATOM 71 CD ARG A 7 -1.386 -3.857 -5.100 1.00 0.00 C ATOM 72 NE ARG A 7 -2.422 -4.100 -6.108 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.515 -3.345 -6.259 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.748 -2.332 -5.437 1.00 0.00 N ATOM 75 NH2 ARG A 7 -4.384 -3.617 -7.228 1.00 0.00 N ATOM 76 H ARG A 7 -3.232 -2.232 -1.590 1.00 0.00 H ATOM 77 HA ARG A 7 -1.893 -4.766 -0.914 1.00 0.00 H ATOM 78 HB2 ARG A 7 -3.090 -5.391 -2.752 1.00 0.00 H ATOM 79 HB3 ARG A 7 -3.162 -3.770 -3.402 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.480 -4.891 -3.468 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.656 -5.846 -4.376 1.00 0.00 H ATOM 82 HD2 ARG A 7 -1.524 -2.868 -4.688 1.00 0.00 H ATOM 83 HD3 ARG A 7 -0.416 -3.915 -5.573 1.00 0.00 H ATOM 84 HE ARG A 7 -2.284 -4.860 -6.712 1.00 0.00 H ATOM 85 HH11 ARG A 7 -3.103 -2.119 -4.685 1.00 0.00 H ATOM 86 HH12 ARG A 7 -4.566 -1.761 -5.547 1.00 0.00 H ATOM 87 HH21 ARG A 7 -4.224 -4.387 -7.847 1.00 0.00 H ATOM 88 HH22 ARG A 7 -5.204 -3.051 -7.342 1.00 0.00 H ATOM 89 N CYS A 8 -0.671 -1.951 -1.568 1.00 0.00 N ATOM 90 CA CYS A 8 0.539 -1.149 -1.716 1.00 0.00 C ATOM 91 C CYS A 8 0.879 -0.397 -0.432 1.00 0.00 C ATOM 92 O CYS A 8 1.829 0.382 -0.388 1.00 0.00 O ATOM 93 CB CYS A 8 0.361 -0.173 -2.883 1.00 0.00 C ATOM 94 SG CYS A 8 1.897 0.253 -3.769 1.00 0.00 S ATOM 95 H CYS A 8 -1.520 -1.521 -1.323 1.00 0.00 H ATOM 96 HA CYS A 8 1.348 -1.820 -1.936 1.00 0.00 H ATOM 97 HB2 CYS A 8 -0.316 -0.607 -3.602 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.065 0.746 -2.509 1.00 0.00 H ATOM 99 N LEU A 9 0.113 -0.664 0.611 1.00 0.00 N ATOM 100 CA LEU A 9 0.288 -0.032 1.918 1.00 0.00 C ATOM 101 C LEU A 9 1.721 -0.171 2.433 1.00 0.00 C ATOM 102 O LEU A 9 2.281 0.753 3.013 1.00 0.00 O ATOM 103 CB LEU A 9 -0.670 -0.687 2.907 1.00 0.00 C ATOM 104 CG LEU A 9 -1.937 0.112 3.218 1.00 0.00 C ATOM 105 CD1 LEU A 9 -2.953 -0.757 3.940 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.601 1.340 4.050 1.00 0.00 C ATOM 107 H LEU A 9 -0.623 -1.302 0.495 1.00 0.00 H ATOM 108 HA LEU A 9 0.035 1.018 1.827 1.00 0.00 H ATOM 109 HB2 LEU A 9 -0.962 -1.646 2.495 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.139 -0.859 3.830 1.00 0.00 H ATOM 111 HG LEU A 9 -2.382 0.446 2.291 1.00 0.00 H ATOM 112 HD11 LEU A 9 -2.526 -1.119 4.864 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.219 -1.596 3.314 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.837 -0.175 4.156 1.00 0.00 H ATOM 115 HD21 LEU A 9 -2.507 1.887 4.268 1.00 0.00 H ATOM 116 HD22 LEU A 9 -0.923 1.975 3.498 1.00 0.00 H ATOM 117 HD23 LEU A 9 -1.134 1.033 4.974 1.00 0.00 H ATOM 118 N TYR A 10 2.311 -1.335 2.204 1.00 0.00 N ATOM 119 CA TYR A 10 3.669 -1.614 2.658 1.00 0.00 C ATOM 120 C TYR A 10 4.702 -1.225 1.613 1.00 0.00 C ATOM 121 O TYR A 10 5.885 -1.533 1.738 1.00 0.00 O ATOM 122 CB TYR A 10 3.800 -3.093 3.008 1.00 0.00 C ATOM 123 CG TYR A 10 3.298 -4.040 1.935 1.00 0.00 C ATOM 124 CD1 TYR A 10 1.959 -4.411 1.884 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.160 -4.567 0.981 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.494 -5.277 0.915 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.701 -5.436 0.009 1.00 0.00 C ATOM 128 CZ TYR A 10 2.368 -5.788 -0.021 1.00 0.00 C ATOM 129 OH TYR A 10 1.911 -6.654 -0.986 1.00 0.00 O ATOM 130 H TYR A 10 1.821 -2.025 1.713 1.00 0.00 H ATOM 131 HA TYR A 10 3.843 -1.030 3.549 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.837 -3.324 3.196 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.229 -3.275 3.896 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.275 -4.010 2.617 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.203 -4.289 1.006 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.448 -5.551 0.893 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.388 -5.835 -0.724 1.00 0.00 H ATOM 138 HH TYR A 10 2.504 -7.406 -1.050 1.00 0.00 H HETATM 139 N ABA A 11 4.243 -0.546 0.586 1.00 0.00 N HETATM 140 CA ABA A 11 5.116 -0.104 -0.494 1.00 0.00 C HETATM 141 C ABA A 11 5.261 1.415 -0.485 1.00 0.00 C HETATM 142 O ABA A 11 5.434 2.041 -1.530 1.00 0.00 O HETATM 143 CB ABA A 11 4.579 -0.572 -1.850 1.00 0.00 C HETATM 144 CG ABA A 11 4.497 -2.077 -1.986 1.00 0.00 C HETATM 145 H ABA A 11 3.284 -0.334 0.554 1.00 0.00 H HETATM 146 HA ABA A 11 6.087 -0.545 -0.333 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.228 -0.203 -2.632 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.587 -0.172 -1.994 1.00 0.00 H HETATM 149 HG1 ABA A 11 5.422 -2.453 -2.396 1.00 0.00 H HETATM 150 HG3 ABA A 11 3.680 -2.335 -2.643 1.00 0.00 H HETATM 151 HG2 ABA A 11 4.329 -2.517 -1.014 1.00 0.00 H ATOM 152 N CYS A 12 5.188 2.002 0.704 1.00 0.00 N ATOM 153 CA CYS A 12 5.321 3.446 0.857 1.00 0.00 C ATOM 154 C CYS A 12 6.781 3.874 0.713 1.00 0.00 C ATOM 155 O CYS A 12 7.492 4.042 1.703 1.00 0.00 O ATOM 156 CB CYS A 12 4.783 3.888 2.220 1.00 0.00 C ATOM 157 SG CYS A 12 2.972 4.000 2.315 1.00 0.00 S ATOM 158 H CYS A 12 5.036 1.451 1.499 1.00 0.00 H ATOM 159 HA CYS A 12 4.741 3.918 0.079 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.095 3.177 2.963 1.00 0.00 H ATOM 161 HB3 CYS A 12 5.187 4.859 2.463 1.00 0.00 H HETATM 162 N NH2 A 13 7.225 4.049 -0.523 1.00 0.00 N HETATM 163 HN1 NH2 A 13 6.600 3.895 -1.263 1.00 0.00 H HETATM 164 HN2 NH2 A 13 8.156 4.323 -0.646 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 3 ATOM 1 N GLY A 1 -1.201 7.278 -4.350 1.00 0.00 N ATOM 2 CA GLY A 1 -2.195 6.707 -3.458 1.00 0.00 C ATOM 3 C GLY A 1 -1.786 5.339 -2.958 1.00 0.00 C ATOM 4 O GLY A 1 -2.422 4.778 -2.070 1.00 0.00 O ATOM 5 H1 GLY A 1 -1.461 7.993 -4.971 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.328 7.366 -2.613 1.00 0.00 H ATOM 7 HA3 GLY A 1 -3.134 6.620 -3.987 1.00 0.00 H ATOM 8 N CYS A 2 -0.700 4.824 -3.523 1.00 0.00 N ATOM 9 CA CYS A 2 -0.173 3.510 -3.158 1.00 0.00 C ATOM 10 C CYS A 2 0.114 3.410 -1.664 1.00 0.00 C ATOM 11 O CYS A 2 -0.096 2.368 -1.056 1.00 0.00 O ATOM 12 CB CYS A 2 1.096 3.210 -3.971 1.00 0.00 C ATOM 13 SG CYS A 2 2.326 2.167 -3.116 1.00 0.00 S ATOM 14 H CYS A 2 -0.238 5.346 -4.212 1.00 0.00 H ATOM 15 HA CYS A 2 -0.922 2.783 -3.405 1.00 0.00 H ATOM 16 HB2 CYS A 2 0.815 2.699 -4.881 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.576 4.143 -4.226 1.00 0.00 H ATOM 18 N CYS A 3 0.527 4.520 -1.078 1.00 0.00 N ATOM 19 CA CYS A 3 0.864 4.573 0.347 1.00 0.00 C ATOM 20 C CYS A 3 -0.332 4.201 1.235 1.00 0.00 C ATOM 21 O CYS A 3 -0.168 3.926 2.420 1.00 0.00 O ATOM 22 CB CYS A 3 1.368 5.970 0.713 1.00 0.00 C ATOM 23 SG CYS A 3 2.587 5.973 2.062 1.00 0.00 S ATOM 24 H CYS A 3 0.605 5.329 -1.615 1.00 0.00 H ATOM 25 HA CYS A 3 1.664 3.862 0.527 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.834 6.416 -0.153 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.532 6.579 1.022 1.00 0.00 H ATOM 28 N SER A 4 -1.532 4.188 0.668 1.00 0.00 N ATOM 29 CA SER A 4 -2.717 3.845 1.435 1.00 0.00 C ATOM 30 C SER A 4 -3.551 2.799 0.698 1.00 0.00 C ATOM 31 O SER A 4 -4.734 2.609 0.988 1.00 0.00 O ATOM 32 CB SER A 4 -3.547 5.104 1.715 1.00 0.00 C ATOM 33 OG SER A 4 -4.608 4.838 2.618 1.00 0.00 O ATOM 34 H SER A 4 -1.622 4.406 -0.284 1.00 0.00 H ATOM 35 HA SER A 4 -2.386 3.422 2.374 1.00 0.00 H ATOM 36 HB2 SER A 4 -2.911 5.863 2.144 1.00 0.00 H ATOM 37 HB3 SER A 4 -3.964 5.468 0.787 1.00 0.00 H ATOM 38 HG SER A 4 -5.050 4.021 2.356 1.00 0.00 H ATOM 39 N ASP A 5 -2.923 2.121 -0.250 1.00 0.00 N ATOM 40 CA ASP A 5 -3.597 1.088 -1.027 1.00 0.00 C ATOM 41 C ASP A 5 -3.521 -0.240 -0.279 1.00 0.00 C ATOM 42 O ASP A 5 -2.491 -0.566 0.298 1.00 0.00 O ATOM 43 CB ASP A 5 -2.956 0.969 -2.413 1.00 0.00 C ATOM 44 CG ASP A 5 -3.509 -0.192 -3.211 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.501 0.004 -3.938 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.955 -1.303 -3.098 1.00 0.00 O ATOM 47 H ASP A 5 -1.975 2.304 -0.421 1.00 0.00 H ATOM 48 HA ASP A 5 -4.634 1.373 -1.136 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.134 1.878 -2.965 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.890 0.826 -2.297 1.00 0.00 H ATOM 51 N PRO A 6 -4.607 -1.027 -0.274 1.00 0.00 N ATOM 52 CA PRO A 6 -4.660 -2.313 0.437 1.00 0.00 C ATOM 53 C PRO A 6 -3.586 -3.318 0.014 1.00 0.00 C ATOM 54 O PRO A 6 -3.338 -4.300 0.717 1.00 0.00 O ATOM 55 CB PRO A 6 -6.053 -2.856 0.105 1.00 0.00 C ATOM 56 CG PRO A 6 -6.849 -1.662 -0.293 1.00 0.00 C ATOM 57 CD PRO A 6 -5.881 -0.720 -0.947 1.00 0.00 C ATOM 58 HA PRO A 6 -4.581 -2.162 1.497 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.979 -3.569 -0.703 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.472 -3.336 0.977 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.619 -1.951 -0.992 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.286 -1.203 0.580 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.816 -0.918 -2.007 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.173 0.305 -0.771 1.00 0.00 H ATOM 65 N ARG A 7 -2.960 -3.085 -1.123 1.00 0.00 N ATOM 66 CA ARG A 7 -1.922 -3.978 -1.611 1.00 0.00 C ATOM 67 C ARG A 7 -0.592 -3.241 -1.752 1.00 0.00 C ATOM 68 O ARG A 7 0.452 -3.849 -1.989 1.00 0.00 O ATOM 69 CB ARG A 7 -2.350 -4.575 -2.957 1.00 0.00 C ATOM 70 CG ARG A 7 -1.393 -5.618 -3.510 1.00 0.00 C ATOM 71 CD ARG A 7 -1.208 -6.785 -2.549 1.00 0.00 C ATOM 72 NE ARG A 7 -2.480 -7.245 -1.987 1.00 0.00 N ATOM 73 CZ ARG A 7 -2.712 -7.369 -0.678 1.00 0.00 C ATOM 74 NH1 ARG A 7 -1.744 -7.119 0.198 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.909 -7.754 -0.247 1.00 0.00 N ATOM 76 H ARG A 7 -3.208 -2.292 -1.661 1.00 0.00 H ATOM 77 HA ARG A 7 -1.804 -4.771 -0.895 1.00 0.00 H ATOM 78 HB2 ARG A 7 -3.318 -5.039 -2.837 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.433 -3.776 -3.680 1.00 0.00 H ATOM 80 HG2 ARG A 7 -1.782 -5.991 -4.445 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.434 -5.148 -3.679 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.744 -7.602 -3.080 1.00 0.00 H ATOM 83 HD3 ARG A 7 -0.563 -6.469 -1.742 1.00 0.00 H ATOM 84 HE ARG A 7 -3.199 -7.456 -2.621 1.00 0.00 H ATOM 85 HH11 ARG A 7 -0.829 -6.840 -0.123 1.00 0.00 H ATOM 86 HH12 ARG A 7 -1.919 -7.197 1.179 1.00 0.00 H ATOM 87 HH21 ARG A 7 -4.641 -7.953 -0.902 1.00 0.00 H ATOM 88 HH22 ARG A 7 -4.088 -7.841 0.734 1.00 0.00 H ATOM 89 N CYS A 8 -0.629 -1.940 -1.557 1.00 0.00 N ATOM 90 CA CYS A 8 0.571 -1.122 -1.704 1.00 0.00 C ATOM 91 C CYS A 8 0.900 -0.346 -0.432 1.00 0.00 C ATOM 92 O CYS A 8 1.864 0.415 -0.389 1.00 0.00 O ATOM 93 CB CYS A 8 0.392 -0.167 -2.889 1.00 0.00 C ATOM 94 SG CYS A 8 1.934 0.280 -3.755 1.00 0.00 S ATOM 95 H CYS A 8 -1.485 -1.519 -1.318 1.00 0.00 H ATOM 96 HA CYS A 8 1.388 -1.787 -1.909 1.00 0.00 H ATOM 97 HB2 CYS A 8 -0.264 -0.626 -3.613 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.062 0.748 -2.535 1.00 0.00 H ATOM 99 N LEU A 9 0.110 -0.569 0.602 1.00 0.00 N ATOM 100 CA LEU A 9 0.283 0.094 1.894 1.00 0.00 C ATOM 101 C LEU A 9 1.702 -0.081 2.433 1.00 0.00 C ATOM 102 O LEU A 9 2.295 0.845 2.977 1.00 0.00 O ATOM 103 CB LEU A 9 -0.716 -0.492 2.884 1.00 0.00 C ATOM 104 CG LEU A 9 -1.743 0.497 3.441 1.00 0.00 C ATOM 105 CD1 LEU A 9 -2.903 -0.247 4.082 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.090 1.432 4.448 1.00 0.00 C ATOM 107 H LEU A 9 -0.640 -1.190 0.489 1.00 0.00 H ATOM 108 HA LEU A 9 0.075 1.149 1.766 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.246 -1.289 2.381 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.166 -0.914 3.710 1.00 0.00 H ATOM 111 HG LEU A 9 -2.135 1.095 2.631 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.607 0.464 4.487 1.00 0.00 H ATOM 113 HD12 LEU A 9 -2.531 -0.878 4.876 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.395 -0.856 3.339 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.829 2.119 4.833 1.00 0.00 H ATOM 116 HD22 LEU A 9 -0.301 1.988 3.963 1.00 0.00 H ATOM 117 HD23 LEU A 9 -0.677 0.854 5.262 1.00 0.00 H ATOM 118 N TYR A 10 2.244 -1.278 2.267 1.00 0.00 N ATOM 119 CA TYR A 10 3.587 -1.586 2.744 1.00 0.00 C ATOM 120 C TYR A 10 4.634 -1.295 1.682 1.00 0.00 C ATOM 121 O TYR A 10 5.785 -1.710 1.786 1.00 0.00 O ATOM 122 CB TYR A 10 3.664 -3.043 3.181 1.00 0.00 C ATOM 123 CG TYR A 10 2.950 -4.016 2.263 1.00 0.00 C ATOM 124 CD1 TYR A 10 3.568 -4.515 1.123 1.00 0.00 C ATOM 125 CD2 TYR A 10 1.659 -4.444 2.549 1.00 0.00 C ATOM 126 CE1 TYR A 10 2.917 -5.410 0.292 1.00 0.00 C ATOM 127 CE2 TYR A 10 1.003 -5.338 1.726 1.00 0.00 C ATOM 128 CZ TYR A 10 1.635 -5.818 0.600 1.00 0.00 C ATOM 129 OH TYR A 10 0.985 -6.712 -0.221 1.00 0.00 O ATOM 130 H TYR A 10 1.729 -1.972 1.809 1.00 0.00 H ATOM 131 HA TYR A 10 3.782 -0.957 3.600 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.699 -3.342 3.243 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.216 -3.120 4.151 1.00 0.00 H ATOM 134 HD1 TYR A 10 4.572 -4.195 0.886 1.00 0.00 H ATOM 135 HD2 TYR A 10 1.165 -4.066 3.432 1.00 0.00 H ATOM 136 HE1 TYR A 10 3.413 -5.785 -0.589 1.00 0.00 H ATOM 137 HE2 TYR A 10 0.000 -5.657 1.966 1.00 0.00 H ATOM 138 HH TYR A 10 1.625 -7.341 -0.575 1.00 0.00 H HETATM 139 N ABA A 11 4.214 -0.581 0.666 1.00 0.00 N HETATM 140 CA ABA A 11 5.092 -0.210 -0.437 1.00 0.00 C HETATM 141 C ABA A 11 5.235 1.307 -0.523 1.00 0.00 C HETATM 142 O ABA A 11 5.396 1.865 -1.608 1.00 0.00 O HETATM 143 CB ABA A 11 4.561 -0.765 -1.761 1.00 0.00 C HETATM 144 CG ABA A 11 4.476 -2.276 -1.800 1.00 0.00 C HETATM 145 H ABA A 11 3.277 -0.289 0.656 1.00 0.00 H HETATM 146 HA ABA A 11 6.064 -0.639 -0.241 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.212 -0.448 -2.563 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.569 -0.375 -1.935 1.00 0.00 H HETATM 149 HG1 ABA A 11 5.400 -2.679 -2.187 1.00 0.00 H HETATM 150 HG3 ABA A 11 3.658 -2.574 -2.438 1.00 0.00 H HETATM 151 HG2 ABA A 11 4.310 -2.653 -0.801 1.00 0.00 H ATOM 152 N CYS A 12 5.169 1.967 0.628 1.00 0.00 N ATOM 153 CA CYS A 12 5.300 3.419 0.690 1.00 0.00 C ATOM 154 C CYS A 12 6.744 3.847 0.434 1.00 0.00 C ATOM 155 O CYS A 12 7.527 4.024 1.368 1.00 0.00 O ATOM 156 CB CYS A 12 4.840 3.938 2.055 1.00 0.00 C ATOM 157 SG CYS A 12 3.037 4.004 2.271 1.00 0.00 S ATOM 158 H CYS A 12 5.025 1.467 1.457 1.00 0.00 H ATOM 159 HA CYS A 12 4.669 3.843 -0.078 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.226 3.290 2.819 1.00 0.00 H ATOM 161 HB3 CYS A 12 5.227 4.935 2.204 1.00 0.00 H HETATM 162 N NH2 A 13 7.094 4.017 -0.832 1.00 0.00 N HETATM 163 HN1 NH2 A 13 6.417 3.857 -1.523 1.00 0.00 H HETATM 164 HN2 NH2 A 13 8.013 4.293 -1.025 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 4 ATOM 1 N GLY A 1 -0.126 7.883 -3.663 1.00 0.00 N ATOM 2 CA GLY A 1 -1.383 7.342 -3.179 1.00 0.00 C ATOM 3 C GLY A 1 -1.304 5.850 -2.944 1.00 0.00 C ATOM 4 O GLY A 1 -2.160 5.269 -2.277 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.107 8.774 -4.076 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.641 7.831 -2.250 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.155 7.542 -3.907 1.00 0.00 H ATOM 8 N CYS A 2 -0.250 5.238 -3.475 1.00 0.00 N ATOM 9 CA CYS A 2 -0.034 3.797 -3.340 1.00 0.00 C ATOM 10 C CYS A 2 0.126 3.421 -1.871 1.00 0.00 C ATOM 11 O CYS A 2 -0.209 2.317 -1.457 1.00 0.00 O ATOM 12 CB CYS A 2 1.213 3.381 -4.133 1.00 0.00 C ATOM 13 SG CYS A 2 1.158 1.689 -4.812 1.00 0.00 S ATOM 14 H CYS A 2 0.402 5.773 -3.975 1.00 0.00 H ATOM 15 HA CYS A 2 -0.895 3.293 -3.738 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.343 4.059 -4.963 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.077 3.447 -3.487 1.00 0.00 H ATOM 18 N CYS A 3 0.592 4.384 -1.091 1.00 0.00 N ATOM 19 CA CYS A 3 0.828 4.211 0.341 1.00 0.00 C ATOM 20 C CYS A 3 -0.434 3.773 1.096 1.00 0.00 C ATOM 21 O CYS A 3 -0.344 3.192 2.172 1.00 0.00 O ATOM 22 CB CYS A 3 1.343 5.528 0.930 1.00 0.00 C ATOM 23 SG CYS A 3 1.913 5.419 2.657 1.00 0.00 S ATOM 24 H CYS A 3 0.782 5.252 -1.496 1.00 0.00 H ATOM 25 HA CYS A 3 1.592 3.456 0.466 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.175 5.875 0.335 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.552 6.263 0.890 1.00 0.00 H ATOM 28 N SER A 4 -1.610 4.029 0.532 1.00 0.00 N ATOM 29 CA SER A 4 -2.847 3.672 1.211 1.00 0.00 C ATOM 30 C SER A 4 -3.599 2.546 0.499 1.00 0.00 C ATOM 31 O SER A 4 -4.740 2.238 0.851 1.00 0.00 O ATOM 32 CB SER A 4 -3.741 4.910 1.350 1.00 0.00 C ATOM 33 OG SER A 4 -4.856 4.655 2.186 1.00 0.00 O ATOM 34 H SER A 4 -1.647 4.449 -0.354 1.00 0.00 H ATOM 35 HA SER A 4 -2.578 3.325 2.198 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.167 5.718 1.777 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.099 5.202 0.374 1.00 0.00 H ATOM 38 HG SER A 4 -5.194 3.768 2.004 1.00 0.00 H ATOM 39 N ASP A 5 -2.972 1.933 -0.492 1.00 0.00 N ATOM 40 CA ASP A 5 -3.603 0.832 -1.211 1.00 0.00 C ATOM 41 C ASP A 5 -3.508 -0.432 -0.357 1.00 0.00 C ATOM 42 O ASP A 5 -2.475 -0.689 0.245 1.00 0.00 O ATOM 43 CB ASP A 5 -2.931 0.627 -2.574 1.00 0.00 C ATOM 44 CG ASP A 5 -3.384 -0.642 -3.269 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.405 -0.610 -3.984 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.712 -1.682 -3.106 1.00 0.00 O ATOM 47 H ASP A 5 -2.061 2.209 -0.733 1.00 0.00 H ATOM 48 HA ASP A 5 -4.644 1.080 -1.357 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.165 1.465 -3.212 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.861 0.576 -2.434 1.00 0.00 H ATOM 51 N PRO A 6 -4.580 -1.235 -0.284 1.00 0.00 N ATOM 52 CA PRO A 6 -4.613 -2.458 0.540 1.00 0.00 C ATOM 53 C PRO A 6 -3.509 -3.469 0.222 1.00 0.00 C ATOM 54 O PRO A 6 -3.251 -4.379 1.008 1.00 0.00 O ATOM 55 CB PRO A 6 -5.992 -3.063 0.242 1.00 0.00 C ATOM 56 CG PRO A 6 -6.459 -2.392 -1.006 1.00 0.00 C ATOM 57 CD PRO A 6 -5.854 -1.019 -0.986 1.00 0.00 C ATOM 58 HA PRO A 6 -4.554 -2.210 1.585 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.894 -4.130 0.102 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.659 -2.865 1.068 1.00 0.00 H ATOM 61 HG2 PRO A 6 -6.114 -2.940 -1.869 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.536 -2.327 -1.007 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.687 -0.663 -1.992 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.486 -0.334 -0.439 1.00 0.00 H ATOM 65 N ARG A 7 -2.864 -3.309 -0.916 1.00 0.00 N ATOM 66 CA ARG A 7 -1.798 -4.210 -1.327 1.00 0.00 C ATOM 67 C ARG A 7 -0.479 -3.449 -1.459 1.00 0.00 C ATOM 68 O ARG A 7 0.599 -4.031 -1.575 1.00 0.00 O ATOM 69 CB ARG A 7 -2.211 -4.881 -2.648 1.00 0.00 C ATOM 70 CG ARG A 7 -1.067 -5.248 -3.581 1.00 0.00 C ATOM 71 CD ARG A 7 -0.997 -4.295 -4.766 1.00 0.00 C ATOM 72 NE ARG A 7 -1.958 -4.646 -5.818 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.056 -3.937 -6.099 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.377 -2.876 -5.371 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.846 -4.304 -7.104 1.00 0.00 N ATOM 76 H ARG A 7 -3.111 -2.560 -1.507 1.00 0.00 H ATOM 77 HA ARG A 7 -1.690 -4.962 -0.565 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.750 -5.779 -2.414 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.872 -4.210 -3.178 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.136 -5.197 -3.034 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.220 -6.253 -3.946 1.00 0.00 H ATOM 82 HD2 ARG A 7 -1.208 -3.294 -4.419 1.00 0.00 H ATOM 83 HD3 ARG A 7 0.001 -4.327 -5.179 1.00 0.00 H ATOM 84 HE ARG A 7 -1.761 -5.445 -6.349 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.796 -2.593 -4.590 1.00 0.00 H ATOM 86 HH12 ARG A 7 -4.197 -2.340 -5.582 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.622 -5.112 -7.651 1.00 0.00 H ATOM 88 HH22 ARG A 7 -4.668 -3.773 -7.318 1.00 0.00 H ATOM 89 N CYS A 8 -0.577 -2.143 -1.382 1.00 0.00 N ATOM 90 CA CYS A 8 0.587 -1.276 -1.527 1.00 0.00 C ATOM 91 C CYS A 8 0.825 -0.444 -0.270 1.00 0.00 C ATOM 92 O CYS A 8 1.666 0.453 -0.251 1.00 0.00 O ATOM 93 CB CYS A 8 0.388 -0.380 -2.752 1.00 0.00 C ATOM 94 SG CYS A 8 1.870 0.518 -3.314 1.00 0.00 S ATOM 95 H CYS A 8 -1.464 -1.747 -1.224 1.00 0.00 H ATOM 96 HA CYS A 8 1.445 -1.906 -1.686 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.048 -0.987 -3.576 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.372 0.356 -2.524 1.00 0.00 H ATOM 99 N LEU A 9 0.098 -0.776 0.784 1.00 0.00 N ATOM 100 CA LEU A 9 0.198 -0.087 2.067 1.00 0.00 C ATOM 101 C LEU A 9 1.632 -0.094 2.592 1.00 0.00 C ATOM 102 O LEU A 9 2.123 0.898 3.116 1.00 0.00 O ATOM 103 CB LEU A 9 -0.718 -0.781 3.069 1.00 0.00 C ATOM 104 CG LEU A 9 -1.979 -0.005 3.451 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.000 -0.931 4.093 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.636 1.140 4.391 1.00 0.00 C ATOM 107 H LEU A 9 -0.553 -1.502 0.692 1.00 0.00 H ATOM 108 HA LEU A 9 -0.134 0.936 1.934 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.018 -1.729 2.639 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.153 -0.976 3.968 1.00 0.00 H ATOM 111 HG LEU A 9 -2.422 0.414 2.559 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.282 -1.699 3.389 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.874 -0.362 4.376 1.00 0.00 H ATOM 114 HD13 LEU A 9 -2.569 -1.389 4.971 1.00 0.00 H ATOM 115 HD21 LEU A 9 -2.538 1.669 4.661 1.00 0.00 H ATOM 116 HD22 LEU A 9 -0.955 1.818 3.899 1.00 0.00 H ATOM 117 HD23 LEU A 9 -1.169 0.746 5.283 1.00 0.00 H ATOM 118 N TYR A 10 2.300 -1.226 2.436 1.00 0.00 N ATOM 119 CA TYR A 10 3.676 -1.379 2.893 1.00 0.00 C ATOM 120 C TYR A 10 4.660 -1.001 1.795 1.00 0.00 C ATOM 121 O TYR A 10 5.870 -1.160 1.938 1.00 0.00 O ATOM 122 CB TYR A 10 3.914 -2.815 3.353 1.00 0.00 C ATOM 123 CG TYR A 10 3.522 -3.873 2.340 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.200 -4.285 2.214 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.473 -4.466 1.518 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.836 -5.252 1.298 1.00 0.00 C ATOM 127 CE2 TYR A 10 4.116 -5.435 0.599 1.00 0.00 C ATOM 128 CZ TYR A 10 2.798 -5.824 0.493 1.00 0.00 C ATOM 129 OH TYR A 10 2.441 -6.789 -0.421 1.00 0.00 O ATOM 130 H TYR A 10 1.855 -1.982 2.004 1.00 0.00 H ATOM 131 HA TYR A 10 3.820 -0.715 3.731 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.960 -2.945 3.582 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.334 -2.981 4.240 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.448 -3.835 2.846 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.505 -4.157 1.601 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.803 -5.555 1.216 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.870 -5.883 -0.032 1.00 0.00 H ATOM 138 HH TYR A 10 3.037 -7.539 -0.346 1.00 0.00 H HETATM 139 N ABA A 11 4.125 -0.496 0.705 1.00 0.00 N HETATM 140 CA ABA A 11 4.935 -0.090 -0.438 1.00 0.00 C HETATM 141 C ABA A 11 4.763 1.399 -0.720 1.00 0.00 C HETATM 142 O ABA A 11 4.698 1.817 -1.874 1.00 0.00 O HETATM 143 CB ABA A 11 4.563 -0.902 -1.682 1.00 0.00 C HETATM 144 CG ABA A 11 4.826 -2.386 -1.544 1.00 0.00 C HETATM 145 H ABA A 11 3.151 -0.383 0.670 1.00 0.00 H HETATM 146 HA ABA A 11 5.970 -0.278 -0.192 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.135 -0.540 -2.523 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.511 -0.773 -1.887 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.116 -2.936 -2.144 1.00 0.00 H HETATM 150 HG3 ABA A 11 4.723 -2.675 -0.509 1.00 0.00 H HETATM 151 HG2 ABA A 11 5.828 -2.606 -1.881 1.00 0.00 H ATOM 152 N CYS A 12 4.688 2.192 0.345 1.00 0.00 N ATOM 153 CA CYS A 12 4.528 3.640 0.224 1.00 0.00 C ATOM 154 C CYS A 12 5.640 4.257 -0.622 1.00 0.00 C ATOM 155 O CYS A 12 5.393 5.136 -1.445 1.00 0.00 O ATOM 156 CB CYS A 12 4.517 4.291 1.606 1.00 0.00 C ATOM 157 SG CYS A 12 3.123 3.792 2.661 1.00 0.00 S ATOM 158 H CYS A 12 4.726 1.792 1.239 1.00 0.00 H ATOM 159 HA CYS A 12 3.580 3.829 -0.259 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.423 4.027 2.123 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.475 5.365 1.490 1.00 0.00 H HETATM 162 N NH2 A 13 6.867 3.801 -0.407 1.00 0.00 N HETATM 163 HN1 NH2 A 13 6.989 3.099 0.265 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.600 4.184 -0.932 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 5 ATOM 1 N GLY A 1 -1.021 7.238 -4.340 1.00 0.00 N ATOM 2 CA GLY A 1 -2.064 6.668 -3.509 1.00 0.00 C ATOM 3 C GLY A 1 -1.698 5.287 -3.013 1.00 0.00 C ATOM 4 O GLY A 1 -2.379 4.722 -2.159 1.00 0.00 O ATOM 5 H1 GLY A 1 -1.244 7.952 -4.977 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.229 7.315 -2.660 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.976 6.603 -4.084 1.00 0.00 H ATOM 8 N CYS A 2 -0.597 4.761 -3.538 1.00 0.00 N ATOM 9 CA CYS A 2 -0.110 3.433 -3.169 1.00 0.00 C ATOM 10 C CYS A 2 0.146 3.333 -1.671 1.00 0.00 C ATOM 11 O CYS A 2 -0.077 2.291 -1.064 1.00 0.00 O ATOM 12 CB CYS A 2 1.163 3.103 -3.962 1.00 0.00 C ATOM 13 SG CYS A 2 2.347 2.015 -3.099 1.00 0.00 S ATOM 14 H CYS A 2 -0.097 5.282 -4.201 1.00 0.00 H ATOM 15 HA CYS A 2 -0.874 2.725 -3.429 1.00 0.00 H ATOM 16 HB2 CYS A 2 0.885 2.612 -4.882 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.677 4.024 -4.197 1.00 0.00 H ATOM 18 N CYS A 3 0.552 4.445 -1.079 1.00 0.00 N ATOM 19 CA CYS A 3 0.856 4.509 0.350 1.00 0.00 C ATOM 20 C CYS A 3 -0.348 4.117 1.215 1.00 0.00 C ATOM 21 O CYS A 3 -0.192 3.765 2.380 1.00 0.00 O ATOM 22 CB CYS A 3 1.321 5.921 0.719 1.00 0.00 C ATOM 23 SG CYS A 3 2.497 5.982 2.108 1.00 0.00 S ATOM 24 H CYS A 3 0.648 5.249 -1.622 1.00 0.00 H ATOM 25 HA CYS A 3 1.666 3.818 0.550 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.804 6.367 -0.137 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.460 6.515 0.989 1.00 0.00 H ATOM 28 N SER A 4 -1.549 4.169 0.653 1.00 0.00 N ATOM 29 CA SER A 4 -2.735 3.815 1.413 1.00 0.00 C ATOM 30 C SER A 4 -3.560 2.758 0.684 1.00 0.00 C ATOM 31 O SER A 4 -4.722 2.519 1.016 1.00 0.00 O ATOM 32 CB SER A 4 -3.576 5.066 1.691 1.00 0.00 C ATOM 33 OG SER A 4 -4.628 4.794 2.601 1.00 0.00 O ATOM 34 H SER A 4 -1.637 4.439 -0.285 1.00 0.00 H ATOM 35 HA SER A 4 -2.401 3.397 2.354 1.00 0.00 H ATOM 36 HB2 SER A 4 -2.946 5.834 2.113 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.002 5.422 0.764 1.00 0.00 H ATOM 38 HG SER A 4 -5.044 3.956 2.364 1.00 0.00 H ATOM 39 N ASP A 5 -2.951 2.125 -0.304 1.00 0.00 N ATOM 40 CA ASP A 5 -3.622 1.081 -1.066 1.00 0.00 C ATOM 41 C ASP A 5 -3.519 -0.229 -0.295 1.00 0.00 C ATOM 42 O ASP A 5 -2.445 -0.583 0.167 1.00 0.00 O ATOM 43 CB ASP A 5 -2.984 0.950 -2.454 1.00 0.00 C ATOM 44 CG ASP A 5 -3.565 -0.188 -3.269 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.578 0.022 -3.961 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.999 -1.299 -3.232 1.00 0.00 O ATOM 47 H ASP A 5 -2.020 2.347 -0.515 1.00 0.00 H ATOM 48 HA ASP A 5 -4.663 1.352 -1.170 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.137 1.869 -3.000 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.924 0.779 -2.338 1.00 0.00 H ATOM 51 N PRO A 6 -4.624 -0.971 -0.143 1.00 0.00 N ATOM 52 CA PRO A 6 -4.643 -2.237 0.615 1.00 0.00 C ATOM 53 C PRO A 6 -3.658 -3.287 0.096 1.00 0.00 C ATOM 54 O PRO A 6 -3.410 -4.297 0.751 1.00 0.00 O ATOM 55 CB PRO A 6 -6.082 -2.735 0.448 1.00 0.00 C ATOM 56 CG PRO A 6 -6.874 -1.526 0.090 1.00 0.00 C ATOM 57 CD PRO A 6 -5.949 -0.637 -0.690 1.00 0.00 C ATOM 58 HA PRO A 6 -4.444 -2.062 1.660 1.00 0.00 H ATOM 59 HB2 PRO A 6 -6.117 -3.477 -0.335 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.424 -3.168 1.377 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.720 -1.809 -0.518 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.206 -1.025 0.986 1.00 0.00 H ATOM 63 HD2 PRO A 6 -6.000 -0.868 -1.744 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.187 0.402 -0.518 1.00 0.00 H ATOM 65 N ARG A 7 -3.099 -3.035 -1.070 1.00 0.00 N ATOM 66 CA ARG A 7 -2.153 -3.948 -1.691 1.00 0.00 C ATOM 67 C ARG A 7 -0.779 -3.294 -1.845 1.00 0.00 C ATOM 68 O ARG A 7 0.221 -3.958 -2.128 1.00 0.00 O ATOM 69 CB ARG A 7 -2.735 -4.374 -3.044 1.00 0.00 C ATOM 70 CG ARG A 7 -1.718 -4.660 -4.137 1.00 0.00 C ATOM 71 CD ARG A 7 -2.237 -4.204 -5.494 1.00 0.00 C ATOM 72 NE ARG A 7 -3.025 -2.970 -5.398 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.840 -2.523 -6.355 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.947 -3.183 -7.505 1.00 0.00 N ATOM 75 NH2 ARG A 7 -4.546 -1.415 -6.162 1.00 0.00 N ATOM 76 H ARG A 7 -3.336 -2.205 -1.542 1.00 0.00 H ATOM 77 HA ARG A 7 -2.060 -4.812 -1.057 1.00 0.00 H ATOM 78 HB2 ARG A 7 -3.317 -5.264 -2.893 1.00 0.00 H ATOM 79 HB3 ARG A 7 -3.391 -3.591 -3.395 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.804 -4.131 -3.913 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.526 -5.722 -4.171 1.00 0.00 H ATOM 82 HD2 ARG A 7 -1.395 -4.033 -6.147 1.00 0.00 H ATOM 83 HD3 ARG A 7 -2.858 -4.986 -5.907 1.00 0.00 H ATOM 84 HE ARG A 7 -2.951 -2.444 -4.553 1.00 0.00 H ATOM 85 HH11 ARG A 7 -3.416 -4.017 -7.654 1.00 0.00 H ATOM 86 HH12 ARG A 7 -4.558 -2.848 -8.222 1.00 0.00 H ATOM 87 HH21 ARG A 7 -4.469 -0.906 -5.281 1.00 0.00 H ATOM 88 HH22 ARG A 7 -5.155 -1.071 -6.874 1.00 0.00 H ATOM 89 N CYS A 8 -0.731 -2.003 -1.598 1.00 0.00 N ATOM 90 CA CYS A 8 0.508 -1.242 -1.750 1.00 0.00 C ATOM 91 C CYS A 8 0.878 -0.477 -0.477 1.00 0.00 C ATOM 92 O CYS A 8 1.854 0.268 -0.453 1.00 0.00 O ATOM 93 CB CYS A 8 0.360 -0.276 -2.930 1.00 0.00 C ATOM 94 SG CYS A 8 1.915 0.150 -3.779 1.00 0.00 S ATOM 95 H CYS A 8 -1.553 -1.549 -1.309 1.00 0.00 H ATOM 96 HA CYS A 8 1.295 -1.942 -1.964 1.00 0.00 H ATOM 97 HB2 CYS A 8 -0.297 -0.719 -3.663 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.081 0.645 -2.573 1.00 0.00 H ATOM 99 N LEU A 9 0.109 -0.697 0.573 1.00 0.00 N ATOM 100 CA LEU A 9 0.304 -0.042 1.871 1.00 0.00 C ATOM 101 C LEU A 9 1.750 -0.139 2.369 1.00 0.00 C ATOM 102 O LEU A 9 2.304 0.815 2.906 1.00 0.00 O ATOM 103 CB LEU A 9 -0.621 -0.706 2.884 1.00 0.00 C ATOM 104 CG LEU A 9 -1.902 0.068 3.212 1.00 0.00 C ATOM 105 CD1 LEU A 9 -2.900 -0.832 3.922 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.585 1.286 4.065 1.00 0.00 C ATOM 107 H LEU A 9 -0.645 -1.314 0.475 1.00 0.00 H ATOM 108 HA LEU A 9 0.024 1.002 1.774 1.00 0.00 H ATOM 109 HB2 LEU A 9 -0.902 -1.674 2.487 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.071 -0.857 3.801 1.00 0.00 H ATOM 111 HG LEU A 9 -2.354 0.408 2.292 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.157 -1.662 3.280 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.791 -0.268 4.155 1.00 0.00 H ATOM 114 HD13 LEU A 9 -2.462 -1.206 4.836 1.00 0.00 H ATOM 115 HD21 LEU A 9 -2.499 1.817 4.286 1.00 0.00 H ATOM 116 HD22 LEU A 9 -0.912 1.938 3.527 1.00 0.00 H ATOM 117 HD23 LEU A 9 -1.120 0.969 4.986 1.00 0.00 H ATOM 118 N TYR A 10 2.356 -1.300 2.174 1.00 0.00 N ATOM 119 CA TYR A 10 3.724 -1.548 2.624 1.00 0.00 C ATOM 120 C TYR A 10 4.759 -1.041 1.625 1.00 0.00 C ATOM 121 O TYR A 10 5.962 -1.125 1.863 1.00 0.00 O ATOM 122 CB TYR A 10 3.918 -3.044 2.859 1.00 0.00 C ATOM 123 CG TYR A 10 3.441 -3.913 1.714 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.107 -4.289 1.616 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.319 -4.352 0.732 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.662 -5.074 0.574 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.882 -5.140 -0.315 1.00 0.00 C ATOM 128 CZ TYR A 10 2.553 -5.497 -0.390 1.00 0.00 C ATOM 129 OH TYR A 10 2.110 -6.275 -1.433 1.00 0.00 O ATOM 130 H TYR A 10 1.871 -2.013 1.714 1.00 0.00 H ATOM 131 HA TYR A 10 3.863 -1.028 3.559 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.966 -3.247 3.019 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.364 -3.321 3.735 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.411 -3.955 2.371 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.360 -4.071 0.794 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.620 -5.353 0.515 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.580 -5.472 -1.069 1.00 0.00 H ATOM 138 HH TYR A 10 1.370 -5.837 -1.866 1.00 0.00 H HETATM 139 N ABA A 11 4.287 -0.510 0.518 1.00 0.00 N HETATM 140 CA ABA A 11 5.174 0.001 -0.523 1.00 0.00 C HETATM 141 C ABA A 11 5.304 1.519 -0.445 1.00 0.00 C HETATM 142 O ABA A 11 5.611 2.174 -1.438 1.00 0.00 O HETATM 143 CB ABA A 11 4.675 -0.410 -1.910 1.00 0.00 C HETATM 144 CG ABA A 11 4.644 -1.908 -2.125 1.00 0.00 C HETATM 145 H ABA A 11 3.314 -0.451 0.398 1.00 0.00 H HETATM 146 HA ABA A 11 6.148 -0.434 -0.362 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.323 0.020 -2.659 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.672 -0.036 -2.050 1.00 0.00 H HETATM 149 HG1 ABA A 11 3.648 -2.208 -2.415 1.00 0.00 H HETATM 150 HG3 ABA A 11 4.918 -2.409 -1.208 1.00 0.00 H HETATM 151 HG2 ABA A 11 5.342 -2.175 -2.904 1.00 0.00 H ATOM 152 N CYS A 12 5.067 2.073 0.740 1.00 0.00 N ATOM 153 CA CYS A 12 5.175 3.514 0.949 1.00 0.00 C ATOM 154 C CYS A 12 6.618 3.982 0.770 1.00 0.00 C ATOM 155 O CYS A 12 6.870 5.081 0.279 1.00 0.00 O ATOM 156 CB CYS A 12 4.681 3.891 2.346 1.00 0.00 C ATOM 157 SG CYS A 12 2.876 4.026 2.495 1.00 0.00 S ATOM 158 H CYS A 12 4.799 1.501 1.488 1.00 0.00 H ATOM 159 HA CYS A 12 4.556 4.004 0.212 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.004 3.138 3.044 1.00 0.00 H ATOM 161 HB3 CYS A 12 5.107 4.844 2.627 1.00 0.00 H HETATM 162 N NH2 A 13 7.563 3.146 1.181 1.00 0.00 N HETATM 163 HN1 NH2 A 13 7.286 2.288 1.562 1.00 0.00 H HETATM 164 HN2 NH2 A 13 8.497 3.423 1.083 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 6 ATOM 1 N GLY A 1 -0.156 8.097 -3.492 1.00 0.00 N ATOM 2 CA GLY A 1 -1.430 7.549 -3.063 1.00 0.00 C ATOM 3 C GLY A 1 -1.367 6.049 -2.881 1.00 0.00 C ATOM 4 O GLY A 1 -2.252 5.448 -2.276 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.130 8.968 -3.945 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.709 8.006 -2.125 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.180 7.781 -3.805 1.00 0.00 H ATOM 8 N CYS A 2 -0.295 5.451 -3.388 1.00 0.00 N ATOM 9 CA CYS A 2 -0.095 4.007 -3.297 1.00 0.00 C ATOM 10 C CYS A 2 0.044 3.581 -1.839 1.00 0.00 C ATOM 11 O CYS A 2 -0.295 2.464 -1.469 1.00 0.00 O ATOM 12 CB CYS A 2 1.156 3.596 -4.087 1.00 0.00 C ATOM 13 SG CYS A 2 1.089 1.920 -4.810 1.00 0.00 S ATOM 14 H CYS A 2 0.381 5.999 -3.842 1.00 0.00 H ATOM 15 HA CYS A 2 -0.958 3.524 -3.719 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.302 4.293 -4.900 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.014 3.637 -3.432 1.00 0.00 H ATOM 18 N CYS A 3 0.481 4.516 -1.011 1.00 0.00 N ATOM 19 CA CYS A 3 0.699 4.272 0.414 1.00 0.00 C ATOM 20 C CYS A 3 -0.586 3.874 1.149 1.00 0.00 C ATOM 21 O CYS A 3 -0.532 3.432 2.291 1.00 0.00 O ATOM 22 CB CYS A 3 1.295 5.524 1.063 1.00 0.00 C ATOM 23 SG CYS A 3 2.235 5.216 2.594 1.00 0.00 S ATOM 24 H CYS A 3 0.660 5.406 -1.370 1.00 0.00 H ATOM 25 HA CYS A 3 1.411 3.465 0.504 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.966 5.997 0.361 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.494 6.210 1.301 1.00 0.00 H ATOM 28 N SER A 4 -1.738 4.016 0.504 1.00 0.00 N ATOM 29 CA SER A 4 -2.993 3.671 1.154 1.00 0.00 C ATOM 30 C SER A 4 -3.705 2.523 0.438 1.00 0.00 C ATOM 31 O SER A 4 -4.850 2.199 0.756 1.00 0.00 O ATOM 32 CB SER A 4 -3.901 4.903 1.231 1.00 0.00 C ATOM 33 OG SER A 4 -5.016 4.674 2.075 1.00 0.00 O ATOM 34 H SER A 4 -1.745 4.355 -0.416 1.00 0.00 H ATOM 35 HA SER A 4 -2.753 3.348 2.157 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.338 5.737 1.623 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.259 5.145 0.241 1.00 0.00 H ATOM 38 HG SER A 4 -5.369 3.792 1.901 1.00 0.00 H ATOM 39 N ASP A 5 -3.030 1.906 -0.520 1.00 0.00 N ATOM 40 CA ASP A 5 -3.606 0.784 -1.254 1.00 0.00 C ATOM 41 C ASP A 5 -3.445 -0.485 -0.421 1.00 0.00 C ATOM 42 O ASP A 5 -2.401 -0.695 0.177 1.00 0.00 O ATOM 43 CB ASP A 5 -2.922 0.632 -2.617 1.00 0.00 C ATOM 44 CG ASP A 5 -3.309 -0.644 -3.338 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.360 -0.663 -3.997 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.546 -1.630 -3.255 1.00 0.00 O ATOM 47 H ASP A 5 -2.115 2.198 -0.729 1.00 0.00 H ATOM 48 HA ASP A 5 -4.658 0.981 -1.399 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.193 1.470 -3.241 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.851 0.632 -2.473 1.00 0.00 H ATOM 51 N PRO A 6 -4.473 -1.345 -0.365 1.00 0.00 N ATOM 52 CA PRO A 6 -4.441 -2.586 0.432 1.00 0.00 C ATOM 53 C PRO A 6 -3.241 -3.494 0.148 1.00 0.00 C ATOM 54 O PRO A 6 -2.898 -4.350 0.961 1.00 0.00 O ATOM 55 CB PRO A 6 -5.743 -3.291 0.045 1.00 0.00 C ATOM 56 CG PRO A 6 -6.646 -2.199 -0.407 1.00 0.00 C ATOM 57 CD PRO A 6 -5.763 -1.173 -1.060 1.00 0.00 C ATOM 58 HA PRO A 6 -4.457 -2.362 1.483 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.548 -3.999 -0.748 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.145 -3.806 0.905 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.361 -2.585 -1.119 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.156 -1.768 0.442 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.662 -1.378 -2.115 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.156 -0.181 -0.901 1.00 0.00 H ATOM 65 N ARG A 7 -2.609 -3.305 -0.994 1.00 0.00 N ATOM 66 CA ARG A 7 -1.458 -4.112 -1.377 1.00 0.00 C ATOM 67 C ARG A 7 -0.202 -3.245 -1.471 1.00 0.00 C ATOM 68 O ARG A 7 0.918 -3.737 -1.602 1.00 0.00 O ATOM 69 CB ARG A 7 -1.766 -4.798 -2.716 1.00 0.00 C ATOM 70 CG ARG A 7 -0.551 -5.301 -3.480 1.00 0.00 C ATOM 71 CD ARG A 7 -0.470 -4.675 -4.865 1.00 0.00 C ATOM 72 NE ARG A 7 -0.920 -3.280 -4.869 1.00 0.00 N ATOM 73 CZ ARG A 7 -0.286 -2.284 -5.485 1.00 0.00 C ATOM 74 NH1 ARG A 7 0.866 -2.503 -6.111 1.00 0.00 N ATOM 75 NH2 ARG A 7 -0.805 -1.064 -5.456 1.00 0.00 N ATOM 76 H ARG A 7 -2.925 -2.601 -1.605 1.00 0.00 H ATOM 77 HA ARG A 7 -1.309 -4.861 -0.618 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.413 -5.636 -2.525 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.291 -4.095 -3.347 1.00 0.00 H ATOM 80 HG2 ARG A 7 0.341 -5.047 -2.927 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.621 -6.374 -3.582 1.00 0.00 H ATOM 82 HD2 ARG A 7 0.555 -4.712 -5.203 1.00 0.00 H ATOM 83 HD3 ARG A 7 -1.091 -5.245 -5.540 1.00 0.00 H ATOM 84 HE ARG A 7 -1.761 -3.074 -4.384 1.00 0.00 H ATOM 85 HH11 ARG A 7 1.264 -3.421 -6.124 1.00 0.00 H ATOM 86 HH12 ARG A 7 1.344 -1.749 -6.567 1.00 0.00 H ATOM 87 HH21 ARG A 7 -1.675 -0.902 -4.971 1.00 0.00 H ATOM 88 HH22 ARG A 7 -0.338 -0.301 -5.904 1.00 0.00 H ATOM 89 N CYS A 8 -0.396 -1.952 -1.348 1.00 0.00 N ATOM 90 CA CYS A 8 0.705 -1.003 -1.463 1.00 0.00 C ATOM 91 C CYS A 8 0.901 -0.203 -0.180 1.00 0.00 C ATOM 92 O CYS A 8 1.750 0.682 -0.104 1.00 0.00 O ATOM 93 CB CYS A 8 0.432 -0.078 -2.647 1.00 0.00 C ATOM 94 SG CYS A 8 1.892 0.724 -3.378 1.00 0.00 S ATOM 95 H CYS A 8 -1.307 -1.625 -1.173 1.00 0.00 H ATOM 96 HA CYS A 8 1.600 -1.565 -1.652 1.00 0.00 H ATOM 97 HB2 CYS A 8 -0.045 -0.648 -3.430 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.243 0.704 -2.327 1.00 0.00 H ATOM 99 N LEU A 9 0.125 -0.551 0.826 1.00 0.00 N ATOM 100 CA LEU A 9 0.174 0.098 2.130 1.00 0.00 C ATOM 101 C LEU A 9 1.568 -0.001 2.750 1.00 0.00 C ATOM 102 O LEU A 9 2.093 0.963 3.294 1.00 0.00 O ATOM 103 CB LEU A 9 -0.836 -0.586 3.043 1.00 0.00 C ATOM 104 CG LEU A 9 -2.145 0.175 3.266 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.237 -0.772 3.738 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.945 1.297 4.273 1.00 0.00 C ATOM 107 H LEU A 9 -0.529 -1.267 0.685 1.00 0.00 H ATOM 108 HA LEU A 9 -0.104 1.140 2.010 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.071 -1.548 2.604 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.370 -0.751 4.001 1.00 0.00 H ATOM 111 HG LEU A 9 -2.465 0.615 2.332 1.00 0.00 H ATOM 112 HD11 LEU A 9 -4.150 -0.218 3.897 1.00 0.00 H ATOM 113 HD12 LEU A 9 -2.933 -1.238 4.664 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.402 -1.532 2.989 1.00 0.00 H ATOM 115 HD21 LEU A 9 -2.879 1.818 4.423 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.203 1.988 3.901 1.00 0.00 H ATOM 117 HD23 LEU A 9 -1.611 0.882 5.213 1.00 0.00 H ATOM 118 N TYR A 10 2.157 -1.184 2.649 1.00 0.00 N ATOM 119 CA TYR A 10 3.477 -1.446 3.213 1.00 0.00 C ATOM 120 C TYR A 10 4.591 -1.165 2.214 1.00 0.00 C ATOM 121 O TYR A 10 5.770 -1.348 2.511 1.00 0.00 O ATOM 122 CB TYR A 10 3.551 -2.897 3.682 1.00 0.00 C ATOM 123 CG TYR A 10 3.215 -3.916 2.609 1.00 0.00 C ATOM 124 CD1 TYR A 10 1.896 -4.259 2.340 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.217 -4.536 1.871 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.582 -5.186 1.367 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.911 -5.465 0.896 1.00 0.00 C ATOM 128 CZ TYR A 10 2.593 -5.787 0.646 1.00 0.00 C ATOM 129 OH TYR A 10 2.286 -6.713 -0.323 1.00 0.00 O ATOM 130 H TYR A 10 1.689 -1.904 2.182 1.00 0.00 H ATOM 131 HA TYR A 10 3.605 -0.799 4.067 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.548 -3.106 4.038 1.00 0.00 H ATOM 133 HB3 TYR A 10 2.852 -3.029 4.487 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.106 -3.785 2.905 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.248 -4.282 2.067 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.550 -5.436 1.173 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.703 -5.937 0.332 1.00 0.00 H ATOM 138 HH TYR A 10 2.806 -7.509 -0.184 1.00 0.00 H HETATM 139 N ABA A 11 4.216 -0.727 1.032 1.00 0.00 N HETATM 140 CA ABA A 11 5.191 -0.432 -0.012 1.00 0.00 C HETATM 141 C ABA A 11 4.829 0.849 -0.757 1.00 0.00 C HETATM 142 O ABA A 11 4.729 0.861 -1.981 1.00 0.00 O HETATM 143 CB ABA A 11 5.318 -1.615 -0.983 1.00 0.00 C HETATM 144 CG ABA A 11 3.996 -2.121 -1.520 1.00 0.00 C HETATM 145 H ABA A 11 3.261 -0.589 0.858 1.00 0.00 H HETATM 146 HA ABA A 11 6.145 -0.282 0.474 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.806 -2.435 -0.476 1.00 0.00 H HETATM 148 HB2 ABA A 11 5.921 -1.314 -1.827 1.00 0.00 H HETATM 149 HG1 ABA A 11 3.563 -1.378 -2.172 1.00 0.00 H HETATM 150 HG3 ABA A 11 3.323 -2.314 -0.697 1.00 0.00 H HETATM 151 HG2 ABA A 11 4.158 -3.035 -2.074 1.00 0.00 H ATOM 152 N CYS A 12 4.648 1.925 0.002 1.00 0.00 N ATOM 153 CA CYS A 12 4.295 3.231 -0.555 1.00 0.00 C ATOM 154 C CYS A 12 5.270 3.663 -1.649 1.00 0.00 C ATOM 155 O CYS A 12 4.863 4.203 -2.678 1.00 0.00 O ATOM 156 CB CYS A 12 4.277 4.280 0.555 1.00 0.00 C ATOM 157 SG CYS A 12 3.500 3.708 2.099 1.00 0.00 S ATOM 158 H CYS A 12 4.735 1.837 0.976 1.00 0.00 H ATOM 159 HA CYS A 12 3.306 3.154 -0.979 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.292 4.569 0.785 1.00 0.00 H ATOM 161 HB3 CYS A 12 3.730 5.147 0.212 1.00 0.00 H HETATM 162 N NH2 A 13 6.557 3.441 -1.419 1.00 0.00 N HETATM 163 HN1 NH2 A 13 6.807 3.006 -0.577 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.203 3.718 -2.100 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 7 ATOM 1 N GLY A 1 -1.168 7.261 -4.370 1.00 0.00 N ATOM 2 CA GLY A 1 -2.169 6.693 -3.486 1.00 0.00 C ATOM 3 C GLY A 1 -1.773 5.317 -2.996 1.00 0.00 C ATOM 4 O GLY A 1 -2.426 4.746 -2.126 1.00 0.00 O ATOM 5 H1 GLY A 1 -1.430 7.953 -5.017 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.299 7.346 -2.635 1.00 0.00 H ATOM 7 HA3 GLY A 1 -3.106 6.619 -4.018 1.00 0.00 H ATOM 8 N CYS A 2 -0.678 4.805 -3.547 1.00 0.00 N ATOM 9 CA CYS A 2 -0.165 3.485 -3.189 1.00 0.00 C ATOM 10 C CYS A 2 0.114 3.380 -1.695 1.00 0.00 C ATOM 11 O CYS A 2 -0.106 2.338 -1.089 1.00 0.00 O ATOM 12 CB CYS A 2 1.106 3.178 -3.996 1.00 0.00 C ATOM 13 SG CYS A 2 2.318 2.113 -3.143 1.00 0.00 S ATOM 14 H CYS A 2 -0.202 5.334 -4.223 1.00 0.00 H ATOM 15 HA CYS A 2 -0.919 2.765 -3.443 1.00 0.00 H ATOM 16 HB2 CYS A 2 0.826 2.680 -4.913 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.600 4.108 -4.238 1.00 0.00 H ATOM 18 N CYS A 3 0.534 4.487 -1.107 1.00 0.00 N ATOM 19 CA CYS A 3 0.864 4.544 0.318 1.00 0.00 C ATOM 20 C CYS A 3 -0.333 4.164 1.202 1.00 0.00 C ATOM 21 O CYS A 3 -0.169 3.858 2.379 1.00 0.00 O ATOM 22 CB CYS A 3 1.353 5.946 0.683 1.00 0.00 C ATOM 23 SG CYS A 3 2.563 5.970 2.041 1.00 0.00 S ATOM 24 H CYS A 3 0.621 5.294 -1.646 1.00 0.00 H ATOM 25 HA CYS A 3 1.668 3.840 0.504 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.819 6.394 -0.181 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.508 6.549 0.983 1.00 0.00 H ATOM 28 N SER A 4 -1.535 4.178 0.640 1.00 0.00 N ATOM 29 CA SER A 4 -2.718 3.831 1.410 1.00 0.00 C ATOM 30 C SER A 4 -3.552 2.777 0.686 1.00 0.00 C ATOM 31 O SER A 4 -4.709 2.536 1.035 1.00 0.00 O ATOM 32 CB SER A 4 -3.552 5.087 1.690 1.00 0.00 C ATOM 33 OG SER A 4 -4.598 4.822 2.609 1.00 0.00 O ATOM 34 H SER A 4 -1.629 4.417 -0.307 1.00 0.00 H ATOM 35 HA SER A 4 -2.379 3.414 2.349 1.00 0.00 H ATOM 36 HB2 SER A 4 -2.914 5.853 2.104 1.00 0.00 H ATOM 37 HB3 SER A 4 -3.984 5.441 0.765 1.00 0.00 H ATOM 38 HG SER A 4 -5.015 3.982 2.382 1.00 0.00 H ATOM 39 N ASP A 5 -2.957 2.149 -0.315 1.00 0.00 N ATOM 40 CA ASP A 5 -3.639 1.108 -1.074 1.00 0.00 C ATOM 41 C ASP A 5 -3.530 -0.207 -0.311 1.00 0.00 C ATOM 42 O ASP A 5 -2.466 -0.542 0.185 1.00 0.00 O ATOM 43 CB ASP A 5 -3.024 0.983 -2.472 1.00 0.00 C ATOM 44 CG ASP A 5 -3.531 -0.225 -3.232 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.600 -0.135 -3.866 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.852 -1.272 -3.204 1.00 0.00 O ATOM 47 H ASP A 5 -2.028 2.372 -0.536 1.00 0.00 H ATOM 48 HA ASP A 5 -4.681 1.383 -1.162 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.262 1.868 -3.042 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.951 0.901 -2.377 1.00 0.00 H ATOM 51 N PRO A 6 -4.627 -0.972 -0.206 1.00 0.00 N ATOM 52 CA PRO A 6 -4.650 -2.242 0.541 1.00 0.00 C ATOM 53 C PRO A 6 -3.610 -3.269 0.087 1.00 0.00 C ATOM 54 O PRO A 6 -3.344 -4.240 0.791 1.00 0.00 O ATOM 55 CB PRO A 6 -6.063 -2.780 0.294 1.00 0.00 C ATOM 56 CG PRO A 6 -6.872 -1.586 -0.077 1.00 0.00 C ATOM 57 CD PRO A 6 -5.938 -0.659 -0.799 1.00 0.00 C ATOM 58 HA PRO A 6 -4.517 -2.067 1.593 1.00 0.00 H ATOM 59 HB2 PRO A 6 -6.039 -3.504 -0.507 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.436 -3.244 1.194 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.683 -1.879 -0.726 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.255 -1.111 0.813 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.942 -0.868 -1.859 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.207 0.370 -0.614 1.00 0.00 H ATOM 65 N ARG A 7 -3.027 -3.051 -1.075 1.00 0.00 N ATOM 66 CA ARG A 7 -2.028 -3.964 -1.611 1.00 0.00 C ATOM 67 C ARG A 7 -0.678 -3.265 -1.760 1.00 0.00 C ATOM 68 O ARG A 7 0.354 -3.892 -1.991 1.00 0.00 O ATOM 69 CB ARG A 7 -2.543 -4.514 -2.951 1.00 0.00 C ATOM 70 CG ARG A 7 -1.470 -4.870 -3.969 1.00 0.00 C ATOM 71 CD ARG A 7 -1.431 -3.859 -5.107 1.00 0.00 C ATOM 72 NE ARG A 7 -2.475 -4.108 -6.106 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.564 -3.349 -6.261 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.788 -2.326 -5.447 1.00 0.00 N ATOM 75 NH2 ARG A 7 -4.439 -3.627 -7.222 1.00 0.00 N ATOM 76 H ARG A 7 -3.274 -2.251 -1.594 1.00 0.00 H ATOM 77 HA ARG A 7 -1.920 -4.778 -0.915 1.00 0.00 H ATOM 78 HB2 ARG A 7 -3.118 -5.396 -2.753 1.00 0.00 H ATOM 79 HB3 ARG A 7 -3.192 -3.773 -3.397 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.509 -4.881 -3.478 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.681 -5.848 -4.375 1.00 0.00 H ATOM 82 HD2 ARG A 7 -1.571 -2.870 -4.696 1.00 0.00 H ATOM 83 HD3 ARG A 7 -0.465 -3.914 -5.587 1.00 0.00 H ATOM 84 HE ARG A 7 -2.345 -4.877 -6.701 1.00 0.00 H ATOM 85 HH11 ARG A 7 -3.140 -2.111 -4.699 1.00 0.00 H ATOM 86 HH12 ARG A 7 -4.603 -1.750 -5.561 1.00 0.00 H ATOM 87 HH21 ARG A 7 -4.287 -4.405 -7.833 1.00 0.00 H ATOM 88 HH22 ARG A 7 -5.255 -3.057 -7.339 1.00 0.00 H ATOM 89 N CYS A 8 -0.688 -1.965 -1.571 1.00 0.00 N ATOM 90 CA CYS A 8 0.525 -1.167 -1.720 1.00 0.00 C ATOM 91 C CYS A 8 0.869 -0.417 -0.435 1.00 0.00 C ATOM 92 O CYS A 8 1.816 0.365 -0.392 1.00 0.00 O ATOM 93 CB CYS A 8 0.348 -0.189 -2.888 1.00 0.00 C ATOM 94 SG CYS A 8 1.882 0.234 -3.777 1.00 0.00 S ATOM 95 H CYS A 8 -1.537 -1.531 -1.327 1.00 0.00 H ATOM 96 HA CYS A 8 1.331 -1.842 -1.945 1.00 0.00 H ATOM 97 HB2 CYS A 8 -0.334 -0.621 -3.604 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.077 0.731 -2.510 1.00 0.00 H ATOM 99 N LEU A 9 0.106 -0.693 0.609 1.00 0.00 N ATOM 100 CA LEU A 9 0.279 -0.067 1.920 1.00 0.00 C ATOM 101 C LEU A 9 1.717 -0.185 2.431 1.00 0.00 C ATOM 102 O LEU A 9 2.262 0.747 3.014 1.00 0.00 O ATOM 103 CB LEU A 9 -0.663 -0.748 2.905 1.00 0.00 C ATOM 104 CG LEU A 9 -1.949 0.020 3.223 1.00 0.00 C ATOM 105 CD1 LEU A 9 -2.927 -0.867 3.977 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.637 1.272 4.028 1.00 0.00 C ATOM 107 H LEU A 9 -0.625 -1.334 0.492 1.00 0.00 H ATOM 108 HA LEU A 9 0.006 0.979 1.839 1.00 0.00 H ATOM 109 HB2 LEU A 9 -0.936 -1.710 2.486 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.129 -0.915 3.827 1.00 0.00 H ATOM 111 HG LEU A 9 -2.418 0.323 2.298 1.00 0.00 H ATOM 112 HD11 LEU A 9 -2.475 -1.199 4.900 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.176 -1.726 3.369 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.825 -0.309 4.195 1.00 0.00 H ATOM 115 HD21 LEU A 9 -0.981 1.912 3.458 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.153 0.993 4.953 1.00 0.00 H ATOM 117 HD23 LEU A 9 -2.555 1.797 4.246 1.00 0.00 H ATOM 118 N TYR A 10 2.325 -1.338 2.198 1.00 0.00 N ATOM 119 CA TYR A 10 3.687 -1.597 2.651 1.00 0.00 C ATOM 120 C TYR A 10 4.714 -1.191 1.606 1.00 0.00 C ATOM 121 O TYR A 10 5.903 -1.474 1.736 1.00 0.00 O ATOM 122 CB TYR A 10 3.841 -3.075 2.996 1.00 0.00 C ATOM 123 CG TYR A 10 3.386 -4.025 1.905 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.048 -4.383 1.787 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.291 -4.567 1.001 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.625 -5.252 0.801 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.875 -5.436 0.010 1.00 0.00 C ATOM 128 CZ TYR A 10 2.542 -5.775 -0.085 1.00 0.00 C ATOM 129 OH TYR A 10 2.126 -6.643 -1.069 1.00 0.00 O ATOM 130 H TYR A 10 1.845 -2.035 1.708 1.00 0.00 H ATOM 131 HA TYR A 10 3.854 -1.014 3.543 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.877 -3.286 3.209 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.252 -3.275 3.870 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.331 -3.971 2.482 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.335 -4.299 1.078 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.580 -5.515 0.728 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.594 -5.846 -0.684 1.00 0.00 H ATOM 138 HH TYR A 10 2.710 -7.404 -1.093 1.00 0.00 H HETATM 139 N ABA A 11 4.246 -0.526 0.574 1.00 0.00 N HETATM 140 CA ABA A 11 5.114 -0.072 -0.505 1.00 0.00 C HETATM 141 C ABA A 11 5.255 1.446 -0.485 1.00 0.00 C HETATM 142 O ABA A 11 5.420 2.080 -1.528 1.00 0.00 O HETATM 143 CB ABA A 11 4.576 -0.534 -1.862 1.00 0.00 C HETATM 144 CG ABA A 11 4.499 -2.039 -2.006 1.00 0.00 C HETATM 145 H ABA A 11 3.284 -0.332 0.537 1.00 0.00 H HETATM 146 HA ABA A 11 6.088 -0.511 -0.349 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.221 -0.158 -2.643 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.583 -0.137 -2.001 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.067 -2.464 -1.112 1.00 0.00 H HETATM 150 HG3 ABA A 11 5.492 -2.438 -2.150 1.00 0.00 H HETATM 151 HG2 ABA A 11 3.883 -2.287 -2.858 1.00 0.00 H ATOM 152 N CYS A 12 5.189 2.024 0.706 1.00 0.00 N ATOM 153 CA CYS A 12 5.319 3.468 0.869 1.00 0.00 C ATOM 154 C CYS A 12 6.779 3.898 0.729 1.00 0.00 C ATOM 155 O CYS A 12 7.484 4.073 1.721 1.00 0.00 O ATOM 156 CB CYS A 12 4.777 3.903 2.232 1.00 0.00 C ATOM 157 SG CYS A 12 2.966 4.000 2.326 1.00 0.00 S ATOM 158 H CYS A 12 5.043 1.468 1.499 1.00 0.00 H ATOM 159 HA CYS A 12 4.740 3.943 0.091 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.093 3.192 2.973 1.00 0.00 H ATOM 161 HB3 CYS A 12 5.174 4.876 2.477 1.00 0.00 H HETATM 162 N NH2 A 13 7.227 4.068 -0.506 1.00 0.00 N HETATM 163 HN1 NH2 A 13 6.607 3.909 -1.249 1.00 0.00 H HETATM 164 HN2 NH2 A 13 8.159 4.344 -0.625 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 8 ATOM 1 N GLY A 1 -0.608 8.426 -3.453 1.00 0.00 N ATOM 2 CA GLY A 1 -1.809 7.806 -2.922 1.00 0.00 C ATOM 3 C GLY A 1 -1.672 6.302 -2.826 1.00 0.00 C ATOM 4 O GLY A 1 -2.501 5.628 -2.219 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.658 9.327 -3.839 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.006 8.205 -1.938 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.642 8.041 -3.570 1.00 0.00 H ATOM 8 N CYS A 2 -0.601 5.784 -3.415 1.00 0.00 N ATOM 9 CA CYS A 2 -0.330 4.348 -3.411 1.00 0.00 C ATOM 10 C CYS A 2 -0.126 3.843 -1.989 1.00 0.00 C ATOM 11 O CYS A 2 -0.461 2.711 -1.666 1.00 0.00 O ATOM 12 CB CYS A 2 0.916 4.042 -4.255 1.00 0.00 C ATOM 13 SG CYS A 2 1.058 2.310 -4.812 1.00 0.00 S ATOM 14 H CYS A 2 0.024 6.387 -3.871 1.00 0.00 H ATOM 15 HA CYS A 2 -1.179 3.849 -3.838 1.00 0.00 H ATOM 16 HB2 CYS A 2 0.903 4.666 -5.136 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.796 4.272 -3.673 1.00 0.00 H ATOM 18 N CYS A 3 0.358 4.728 -1.133 1.00 0.00 N ATOM 19 CA CYS A 3 0.650 4.400 0.263 1.00 0.00 C ATOM 20 C CYS A 3 -0.607 4.023 1.059 1.00 0.00 C ATOM 21 O CYS A 3 -0.525 3.738 2.250 1.00 0.00 O ATOM 22 CB CYS A 3 1.350 5.590 0.927 1.00 0.00 C ATOM 23 SG CYS A 3 2.521 5.146 2.253 1.00 0.00 S ATOM 24 H CYS A 3 0.517 5.638 -1.448 1.00 0.00 H ATOM 25 HA CYS A 3 1.325 3.558 0.267 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.902 6.135 0.177 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.601 6.241 1.357 1.00 0.00 H ATOM 28 N SER A 4 -1.768 4.019 0.414 1.00 0.00 N ATOM 29 CA SER A 4 -2.998 3.669 1.102 1.00 0.00 C ATOM 30 C SER A 4 -3.684 2.472 0.441 1.00 0.00 C ATOM 31 O SER A 4 -4.772 2.066 0.851 1.00 0.00 O ATOM 32 CB SER A 4 -3.941 4.877 1.146 1.00 0.00 C ATOM 33 OG SER A 4 -5.043 4.643 2.005 1.00 0.00 O ATOM 34 H SER A 4 -1.795 4.255 -0.536 1.00 0.00 H ATOM 35 HA SER A 4 -2.730 3.394 2.113 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.400 5.740 1.503 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.313 5.075 0.150 1.00 0.00 H ATOM 38 HG SER A 4 -5.338 3.730 1.902 1.00 0.00 H ATOM 39 N ASP A 5 -3.047 1.911 -0.579 1.00 0.00 N ATOM 40 CA ASP A 5 -3.594 0.748 -1.275 1.00 0.00 C ATOM 41 C ASP A 5 -3.322 -0.496 -0.432 1.00 0.00 C ATOM 42 O ASP A 5 -2.262 -0.612 0.158 1.00 0.00 O ATOM 43 CB ASP A 5 -2.959 0.622 -2.667 1.00 0.00 C ATOM 44 CG ASP A 5 -3.187 -0.735 -3.308 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.220 -0.921 -3.980 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.324 -1.622 -3.144 1.00 0.00 O ATOM 47 H ASP A 5 -2.179 2.273 -0.861 1.00 0.00 H ATOM 48 HA ASP A 5 -4.660 0.884 -1.374 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.380 1.376 -3.314 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.894 0.783 -2.583 1.00 0.00 H ATOM 51 N PRO A 6 -4.274 -1.440 -0.355 1.00 0.00 N ATOM 52 CA PRO A 6 -4.129 -2.661 0.459 1.00 0.00 C ATOM 53 C PRO A 6 -2.861 -3.472 0.180 1.00 0.00 C ATOM 54 O PRO A 6 -2.439 -4.276 1.010 1.00 0.00 O ATOM 55 CB PRO A 6 -5.378 -3.485 0.112 1.00 0.00 C ATOM 56 CG PRO A 6 -5.956 -2.846 -1.107 1.00 0.00 C ATOM 57 CD PRO A 6 -5.573 -1.397 -1.037 1.00 0.00 C ATOM 58 HA PRO A 6 -4.146 -2.416 1.504 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.093 -4.508 -0.079 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.073 -3.451 0.939 1.00 0.00 H ATOM 61 HG2 PRO A 6 -5.537 -3.301 -1.993 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.031 -2.951 -1.103 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.478 -0.981 -2.029 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.296 -0.841 -0.458 1.00 0.00 H ATOM 65 N ARG A 7 -2.255 -3.259 -0.971 1.00 0.00 N ATOM 66 CA ARG A 7 -1.043 -3.975 -1.346 1.00 0.00 C ATOM 67 C ARG A 7 0.145 -3.017 -1.423 1.00 0.00 C ATOM 68 O ARG A 7 1.307 -3.423 -1.447 1.00 0.00 O ATOM 69 CB ARG A 7 -1.292 -4.689 -2.682 1.00 0.00 C ATOM 70 CG ARG A 7 -0.071 -4.850 -3.574 1.00 0.00 C ATOM 71 CD ARG A 7 -0.150 -3.927 -4.783 1.00 0.00 C ATOM 72 NE ARG A 7 -1.039 -4.452 -5.825 1.00 0.00 N ATOM 73 CZ ARG A 7 -2.249 -3.953 -6.106 1.00 0.00 C ATOM 74 NH1 ARG A 7 -2.749 -2.958 -5.386 1.00 0.00 N ATOM 75 NH2 ARG A 7 -2.966 -4.468 -7.099 1.00 0.00 N ATOM 76 H ARG A 7 -2.632 -2.597 -1.596 1.00 0.00 H ATOM 77 HA ARG A 7 -0.846 -4.708 -0.584 1.00 0.00 H ATOM 78 HB2 ARG A 7 -1.681 -5.669 -2.474 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.038 -4.134 -3.233 1.00 0.00 H ATOM 80 HG2 ARG A 7 0.814 -4.608 -3.005 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.016 -5.873 -3.915 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.522 -2.964 -4.460 1.00 0.00 H ATOM 83 HD3 ARG A 7 0.841 -3.808 -5.195 1.00 0.00 H ATOM 84 HE ARG A 7 -0.705 -5.209 -6.352 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.224 -2.566 -4.614 1.00 0.00 H ATOM 86 HH12 ARG A 7 -3.655 -2.581 -5.594 1.00 0.00 H ATOM 87 HH21 ARG A 7 -2.605 -5.228 -7.641 1.00 0.00 H ATOM 88 HH22 ARG A 7 -3.873 -4.095 -7.311 1.00 0.00 H ATOM 89 N CYS A 8 -0.163 -1.741 -1.397 1.00 0.00 N ATOM 90 CA CYS A 8 0.855 -0.700 -1.501 1.00 0.00 C ATOM 91 C CYS A 8 0.923 0.133 -0.222 1.00 0.00 C ATOM 92 O CYS A 8 1.579 1.169 -0.167 1.00 0.00 O ATOM 93 CB CYS A 8 0.552 0.172 -2.728 1.00 0.00 C ATOM 94 SG CYS A 8 1.877 1.321 -3.233 1.00 0.00 S ATOM 95 H CYS A 8 -1.111 -1.489 -1.299 1.00 0.00 H ATOM 96 HA CYS A 8 1.802 -1.186 -1.637 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.351 -0.473 -3.569 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.330 0.762 -2.523 1.00 0.00 H ATOM 99 N LEU A 9 0.253 -0.352 0.806 1.00 0.00 N ATOM 100 CA LEU A 9 0.217 0.310 2.101 1.00 0.00 C ATOM 101 C LEU A 9 1.523 0.071 2.849 1.00 0.00 C ATOM 102 O LEU A 9 2.087 0.973 3.458 1.00 0.00 O ATOM 103 CB LEU A 9 -0.948 -0.254 2.907 1.00 0.00 C ATOM 104 CG LEU A 9 -1.940 0.780 3.444 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.241 0.105 3.852 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.342 1.535 4.622 1.00 0.00 C ATOM 107 H LEU A 9 -0.264 -1.175 0.682 1.00 0.00 H ATOM 108 HA LEU A 9 0.065 1.373 1.948 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.484 -0.942 2.267 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.545 -0.805 3.741 1.00 0.00 H ATOM 111 HG LEU A 9 -2.164 1.495 2.665 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.674 -0.387 2.995 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.929 0.848 4.226 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.041 -0.623 4.624 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.105 0.838 5.414 1.00 0.00 H ATOM 116 HD22 LEU A 9 -2.054 2.261 4.984 1.00 0.00 H ATOM 117 HD23 LEU A 9 -0.442 2.040 4.306 1.00 0.00 H ATOM 118 N TYR A 10 1.991 -1.169 2.793 1.00 0.00 N ATOM 119 CA TYR A 10 3.229 -1.558 3.456 1.00 0.00 C ATOM 120 C TYR A 10 4.417 -1.375 2.521 1.00 0.00 C ATOM 121 O TYR A 10 5.572 -1.443 2.934 1.00 0.00 O ATOM 122 CB TYR A 10 3.139 -3.013 3.933 1.00 0.00 C ATOM 123 CG TYR A 10 2.660 -3.991 2.876 1.00 0.00 C ATOM 124 CD1 TYR A 10 1.303 -4.177 2.635 1.00 0.00 C ATOM 125 CD2 TYR A 10 3.564 -4.732 2.126 1.00 0.00 C ATOM 126 CE1 TYR A 10 0.864 -5.070 1.678 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.132 -5.627 1.165 1.00 0.00 C ATOM 128 CZ TYR A 10 1.781 -5.792 0.945 1.00 0.00 C ATOM 129 OH TYR A 10 1.347 -6.680 -0.012 1.00 0.00 O ATOM 130 H TYR A 10 1.487 -1.842 2.295 1.00 0.00 H ATOM 131 HA TYR A 10 3.360 -0.916 4.313 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.113 -3.336 4.264 1.00 0.00 H ATOM 133 HB3 TYR A 10 2.451 -3.061 4.760 1.00 0.00 H ATOM 134 HD1 TYR A 10 0.586 -3.610 3.210 1.00 0.00 H ATOM 135 HD2 TYR A 10 4.622 -4.602 2.301 1.00 0.00 H ATOM 136 HE1 TYR A 10 -0.195 -5.200 1.506 1.00 0.00 H ATOM 137 HE2 TYR A 10 3.852 -6.192 0.591 1.00 0.00 H ATOM 138 HH TYR A 10 1.761 -7.535 0.134 1.00 0.00 H HETATM 139 N ABA A 11 4.115 -1.151 1.255 1.00 0.00 N HETATM 140 CA ABA A 11 5.137 -0.945 0.236 1.00 0.00 C HETATM 141 C ABA A 11 4.737 0.206 -0.672 1.00 0.00 C HETATM 142 O ABA A 11 4.436 0.004 -1.847 1.00 0.00 O HETATM 143 CB ABA A 11 5.353 -2.214 -0.596 1.00 0.00 C HETATM 144 CG ABA A 11 6.065 -3.324 0.150 1.00 0.00 C HETATM 145 H ABA A 11 3.172 -1.109 0.999 1.00 0.00 H HETATM 146 HA ABA A 11 6.058 -0.689 0.738 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.943 -1.969 -1.466 1.00 0.00 H HETATM 148 HB2 ABA A 11 4.394 -2.595 -0.915 1.00 0.00 H HETATM 149 HG1 ABA A 11 6.804 -2.896 0.810 1.00 0.00 H HETATM 150 HG3 ABA A 11 6.551 -3.979 -0.558 1.00 0.00 H HETATM 151 HG2 ABA A 11 5.347 -3.886 0.727 1.00 0.00 H ATOM 152 N CYS A 12 4.718 1.407 -0.111 1.00 0.00 N ATOM 153 CA CYS A 12 4.348 2.605 -0.857 1.00 0.00 C ATOM 154 C CYS A 12 5.384 2.929 -1.928 1.00 0.00 C ATOM 155 O CYS A 12 6.401 3.565 -1.653 1.00 0.00 O ATOM 156 CB CYS A 12 4.198 3.788 0.101 1.00 0.00 C ATOM 157 SG CYS A 12 3.315 3.378 1.643 1.00 0.00 S ATOM 158 H CYS A 12 4.948 1.494 0.838 1.00 0.00 H ATOM 159 HA CYS A 12 3.398 2.418 -1.334 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.177 4.152 0.371 1.00 0.00 H ATOM 161 HB3 CYS A 12 3.649 4.576 -0.393 1.00 0.00 H HETATM 162 N NH2 A 13 5.123 2.492 -3.151 1.00 0.00 N HETATM 163 HN1 NH2 A 13 4.292 1.989 -3.294 1.00 0.00 H HETATM 164 HN2 NH2 A 13 5.770 2.684 -3.859 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 9 ATOM 1 N GLY A 1 -0.161 7.781 -3.725 1.00 0.00 N ATOM 2 CA GLY A 1 -1.415 7.229 -3.245 1.00 0.00 C ATOM 3 C GLY A 1 -1.318 5.740 -2.993 1.00 0.00 C ATOM 4 O GLY A 1 -2.173 5.156 -2.329 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.153 8.661 -4.159 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.688 7.724 -2.326 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.183 7.410 -3.983 1.00 0.00 H ATOM 8 N CYS A 2 -0.249 5.138 -3.504 1.00 0.00 N ATOM 9 CA CYS A 2 -0.016 3.703 -3.349 1.00 0.00 C ATOM 10 C CYS A 2 0.160 3.357 -1.873 1.00 0.00 C ATOM 11 O CYS A 2 -0.135 2.249 -1.440 1.00 0.00 O ATOM 12 CB CYS A 2 1.231 3.288 -4.146 1.00 0.00 C ATOM 13 SG CYS A 2 1.182 1.594 -4.828 1.00 0.00 S ATOM 14 H CYS A 2 0.402 5.676 -4.002 1.00 0.00 H ATOM 15 HA CYS A 2 -0.876 3.181 -3.732 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.357 3.967 -4.976 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.095 3.356 -3.501 1.00 0.00 H ATOM 18 N CYS A 3 0.595 4.348 -1.109 1.00 0.00 N ATOM 19 CA CYS A 3 0.837 4.201 0.326 1.00 0.00 C ATOM 20 C CYS A 3 -0.412 3.740 1.085 1.00 0.00 C ATOM 21 O CYS A 3 -0.305 3.088 2.118 1.00 0.00 O ATOM 22 CB CYS A 3 1.322 5.538 0.897 1.00 0.00 C ATOM 23 SG CYS A 3 1.823 5.478 2.647 1.00 0.00 S ATOM 24 H CYS A 3 0.756 5.216 -1.526 1.00 0.00 H ATOM 25 HA CYS A 3 1.620 3.467 0.459 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.174 5.875 0.327 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.527 6.266 0.809 1.00 0.00 H ATOM 28 N SER A 4 -1.595 4.054 0.569 1.00 0.00 N ATOM 29 CA SER A 4 -2.825 3.681 1.255 1.00 0.00 C ATOM 30 C SER A 4 -3.577 2.571 0.523 1.00 0.00 C ATOM 31 O SER A 4 -4.734 2.280 0.836 1.00 0.00 O ATOM 32 CB SER A 4 -3.720 4.915 1.430 1.00 0.00 C ATOM 33 OG SER A 4 -4.832 4.637 2.262 1.00 0.00 O ATOM 34 H SER A 4 -1.644 4.527 -0.288 1.00 0.00 H ATOM 35 HA SER A 4 -2.545 3.312 2.232 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.145 5.712 1.876 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.081 5.233 0.461 1.00 0.00 H ATOM 38 HG SER A 4 -5.178 3.762 2.048 1.00 0.00 H ATOM 39 N ASP A 5 -2.924 1.953 -0.445 1.00 0.00 N ATOM 40 CA ASP A 5 -3.531 0.861 -1.195 1.00 0.00 C ATOM 41 C ASP A 5 -3.462 -0.406 -0.343 1.00 0.00 C ATOM 42 O ASP A 5 -2.418 -0.715 0.210 1.00 0.00 O ATOM 43 CB ASP A 5 -2.789 0.679 -2.529 1.00 0.00 C ATOM 44 CG ASP A 5 -3.322 -0.455 -3.392 1.00 0.00 C ATOM 45 OD1 ASP A 5 -3.443 -1.588 -2.890 1.00 0.00 O ATOM 46 OD2 ASP A 5 -3.581 -0.224 -4.592 1.00 0.00 O ATOM 47 H ASP A 5 -2.003 2.223 -0.651 1.00 0.00 H ATOM 48 HA ASP A 5 -4.566 1.110 -1.384 1.00 0.00 H ATOM 49 HB2 ASP A 5 -2.866 1.594 -3.098 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.746 0.484 -2.322 1.00 0.00 H ATOM 51 N PRO A 6 -4.568 -1.152 -0.214 1.00 0.00 N ATOM 52 CA PRO A 6 -4.618 -2.383 0.601 1.00 0.00 C ATOM 53 C PRO A 6 -3.552 -3.421 0.227 1.00 0.00 C ATOM 54 O PRO A 6 -3.266 -4.336 0.998 1.00 0.00 O ATOM 55 CB PRO A 6 -6.017 -2.938 0.319 1.00 0.00 C ATOM 56 CG PRO A 6 -6.819 -1.755 -0.100 1.00 0.00 C ATOM 57 CD PRO A 6 -5.869 -0.855 -0.838 1.00 0.00 C ATOM 58 HA PRO A 6 -4.529 -2.155 1.650 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.961 -3.677 -0.467 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.417 -3.387 1.216 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.622 -2.068 -0.751 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.213 -1.252 0.770 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.857 -1.099 -1.890 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.139 0.181 -0.692 1.00 0.00 H ATOM 65 N ARG A 7 -2.970 -3.269 -0.948 1.00 0.00 N ATOM 66 CA ARG A 7 -1.948 -4.184 -1.438 1.00 0.00 C ATOM 67 C ARG A 7 -0.610 -3.458 -1.601 1.00 0.00 C ATOM 68 O ARG A 7 0.422 -4.065 -1.887 1.00 0.00 O ATOM 69 CB ARG A 7 -2.423 -4.770 -2.775 1.00 0.00 C ATOM 70 CG ARG A 7 -1.379 -5.559 -3.551 1.00 0.00 C ATOM 71 CD ARG A 7 -1.414 -5.212 -5.037 1.00 0.00 C ATOM 72 NE ARG A 7 -0.907 -3.860 -5.304 1.00 0.00 N ATOM 73 CZ ARG A 7 -1.682 -2.775 -5.421 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.002 -2.883 -5.358 1.00 0.00 N ATOM 75 NH2 ARG A 7 -1.140 -1.579 -5.617 1.00 0.00 N ATOM 76 H ARG A 7 -3.242 -2.508 -1.517 1.00 0.00 H ATOM 77 HA ARG A 7 -1.834 -4.978 -0.720 1.00 0.00 H ATOM 78 HB2 ARG A 7 -3.258 -5.422 -2.581 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.761 -3.956 -3.402 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.400 -5.326 -3.160 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.576 -6.615 -3.432 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.807 -5.925 -5.573 1.00 0.00 H ATOM 83 HD3 ARG A 7 -2.435 -5.277 -5.383 1.00 0.00 H ATOM 84 HE ARG A 7 0.066 -3.756 -5.381 1.00 0.00 H ATOM 85 HH11 ARG A 7 -3.432 -3.774 -5.231 1.00 0.00 H ATOM 86 HH12 ARG A 7 -3.576 -2.051 -5.394 1.00 0.00 H ATOM 87 HH21 ARG A 7 -0.148 -1.475 -5.684 1.00 0.00 H ATOM 88 HH22 ARG A 7 -1.735 -0.766 -5.681 1.00 0.00 H ATOM 89 N CYS A 8 -0.631 -2.160 -1.375 1.00 0.00 N ATOM 90 CA CYS A 8 0.565 -1.336 -1.529 1.00 0.00 C ATOM 91 C CYS A 8 0.837 -0.499 -0.280 1.00 0.00 C ATOM 92 O CYS A 8 1.713 0.362 -0.271 1.00 0.00 O ATOM 93 CB CYS A 8 0.386 -0.441 -2.756 1.00 0.00 C ATOM 94 SG CYS A 8 1.886 0.412 -3.335 1.00 0.00 S ATOM 95 H CYS A 8 -1.478 -1.741 -1.097 1.00 0.00 H ATOM 96 HA CYS A 8 1.399 -1.995 -1.690 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.024 -1.042 -3.575 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.351 0.316 -2.527 1.00 0.00 H ATOM 99 N LEU A 9 0.099 -0.792 0.777 1.00 0.00 N ATOM 100 CA LEU A 9 0.219 -0.094 2.054 1.00 0.00 C ATOM 101 C LEU A 9 1.650 -0.143 2.589 1.00 0.00 C ATOM 102 O LEU A 9 2.138 0.804 3.195 1.00 0.00 O ATOM 103 CB LEU A 9 -0.729 -0.750 3.053 1.00 0.00 C ATOM 104 CG LEU A 9 -1.967 0.073 3.421 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.044 -0.824 4.009 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.602 1.178 4.399 1.00 0.00 C ATOM 107 H LEU A 9 -0.579 -1.496 0.693 1.00 0.00 H ATOM 108 HA LEU A 9 -0.079 0.939 1.910 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.060 -1.687 2.623 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.179 -0.961 3.956 1.00 0.00 H ATOM 111 HG LEU A 9 -2.365 0.532 2.527 1.00 0.00 H ATOM 112 HD11 LEU A 9 -2.663 -1.310 4.895 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.329 -1.569 3.283 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.906 -0.227 4.270 1.00 0.00 H ATOM 115 HD21 LEU A 9 -2.486 1.746 4.647 1.00 0.00 H ATOM 116 HD22 LEU A 9 -0.869 1.831 3.948 1.00 0.00 H ATOM 117 HD23 LEU A 9 -1.190 0.742 5.297 1.00 0.00 H ATOM 118 N TYR A 10 2.317 -1.260 2.348 1.00 0.00 N ATOM 119 CA TYR A 10 3.689 -1.458 2.803 1.00 0.00 C ATOM 120 C TYR A 10 4.689 -0.988 1.756 1.00 0.00 C ATOM 121 O TYR A 10 5.899 -1.100 1.932 1.00 0.00 O ATOM 122 CB TYR A 10 3.915 -2.932 3.131 1.00 0.00 C ATOM 123 CG TYR A 10 3.453 -3.887 2.048 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.124 -4.283 1.968 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.344 -4.390 1.108 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.694 -5.149 0.982 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.921 -5.258 0.119 1.00 0.00 C ATOM 128 CZ TYR A 10 2.595 -5.634 0.060 1.00 0.00 C ATOM 129 OH TYR A 10 2.170 -6.491 -0.926 1.00 0.00 O ATOM 130 H TYR A 10 1.873 -1.977 1.853 1.00 0.00 H ATOM 131 HA TYR A 10 3.826 -0.875 3.701 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.968 -3.102 3.298 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.373 -3.166 4.027 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.418 -3.901 2.692 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.382 -4.095 1.157 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.655 -5.441 0.939 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.628 -5.637 -0.604 1.00 0.00 H ATOM 138 HH TYR A 10 1.402 -6.116 -1.365 1.00 0.00 H HETATM 139 N ABA A 11 4.168 -0.461 0.667 1.00 0.00 N HETATM 140 CA ABA A 11 4.999 0.029 -0.427 1.00 0.00 C HETATM 141 C ABA A 11 4.778 1.520 -0.650 1.00 0.00 C HETATM 142 O ABA A 11 4.653 1.975 -1.785 1.00 0.00 O HETATM 143 CB ABA A 11 4.702 -0.739 -1.720 1.00 0.00 C HETATM 144 CG ABA A 11 5.045 -2.210 -1.650 1.00 0.00 C HETATM 145 H ABA A 11 3.192 -0.386 0.603 1.00 0.00 H HETATM 146 HA ABA A 11 6.031 -0.131 -0.154 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.271 -0.302 -2.526 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.649 -0.656 -1.943 1.00 0.00 H HETATM 149 HG1 ABA A 11 5.215 -2.492 -0.621 1.00 0.00 H HETATM 150 HG3 ABA A 11 5.939 -2.399 -2.226 1.00 0.00 H HETATM 151 HG2 ABA A 11 4.228 -2.790 -2.052 1.00 0.00 H ATOM 152 N CYS A 12 4.726 2.275 0.442 1.00 0.00 N ATOM 153 CA CYS A 12 4.527 3.720 0.373 1.00 0.00 C ATOM 154 C CYS A 12 5.636 4.393 -0.435 1.00 0.00 C ATOM 155 O CYS A 12 5.377 5.289 -1.236 1.00 0.00 O ATOM 156 CB CYS A 12 4.480 4.319 1.778 1.00 0.00 C ATOM 157 SG CYS A 12 3.018 3.841 2.749 1.00 0.00 S ATOM 158 H CYS A 12 4.806 1.848 1.321 1.00 0.00 H ATOM 159 HA CYS A 12 3.582 3.902 -0.117 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.351 3.996 2.324 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.489 5.397 1.703 1.00 0.00 H HETATM 162 N NH2 A 13 6.871 3.962 -0.215 1.00 0.00 N HETATM 163 HN1 NH2 A 13 7.002 3.245 0.438 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.602 4.380 -0.716 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 10 ATOM 1 N GLY A 1 -0.057 7.824 -3.657 1.00 0.00 N ATOM 2 CA GLY A 1 -1.314 7.289 -3.167 1.00 0.00 C ATOM 3 C GLY A 1 -1.241 5.797 -2.934 1.00 0.00 C ATOM 4 O GLY A 1 -2.112 5.217 -2.288 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.041 8.702 -4.098 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.565 7.779 -2.238 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.089 7.494 -3.892 1.00 0.00 H ATOM 8 N CYS A 2 -0.178 5.184 -3.445 1.00 0.00 N ATOM 9 CA CYS A 2 0.032 3.744 -3.310 1.00 0.00 C ATOM 10 C CYS A 2 0.162 3.366 -1.838 1.00 0.00 C ATOM 11 O CYS A 2 -0.190 2.265 -1.429 1.00 0.00 O ATOM 12 CB CYS A 2 1.295 3.325 -4.078 1.00 0.00 C ATOM 13 SG CYS A 2 1.244 1.639 -4.776 1.00 0.00 S ATOM 14 H CYS A 2 0.485 5.719 -3.932 1.00 0.00 H ATOM 15 HA CYS A 2 -0.823 3.241 -3.726 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.449 4.010 -4.896 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.143 3.378 -3.410 1.00 0.00 H ATOM 18 N CYS A 3 0.622 4.328 -1.050 1.00 0.00 N ATOM 19 CA CYS A 3 0.832 4.155 0.388 1.00 0.00 C ATOM 20 C CYS A 3 -0.443 3.721 1.121 1.00 0.00 C ATOM 21 O CYS A 3 -0.372 3.108 2.182 1.00 0.00 O ATOM 22 CB CYS A 3 1.338 5.474 0.983 1.00 0.00 C ATOM 23 SG CYS A 3 1.873 5.366 2.721 1.00 0.00 S ATOM 24 H CYS A 3 0.825 5.193 -1.452 1.00 0.00 H ATOM 25 HA CYS A 3 1.594 3.401 0.527 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.180 5.820 0.405 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.547 6.209 0.928 1.00 0.00 H ATOM 28 N SER A 4 -1.608 4.015 0.554 1.00 0.00 N ATOM 29 CA SER A 4 -2.858 3.666 1.214 1.00 0.00 C ATOM 30 C SER A 4 -3.599 2.538 0.494 1.00 0.00 C ATOM 31 O SER A 4 -4.750 2.240 0.817 1.00 0.00 O ATOM 32 CB SER A 4 -3.751 4.906 1.330 1.00 0.00 C ATOM 33 OG SER A 4 -4.872 4.663 2.162 1.00 0.00 O ATOM 34 H SER A 4 -1.628 4.459 -0.318 1.00 0.00 H ATOM 35 HA SER A 4 -2.607 3.322 2.208 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.179 5.718 1.751 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.103 5.185 0.347 1.00 0.00 H ATOM 38 HG SER A 4 -5.219 3.780 1.977 1.00 0.00 H ATOM 39 N ASP A 5 -2.948 1.915 -0.474 1.00 0.00 N ATOM 40 CA ASP A 5 -3.562 0.812 -1.203 1.00 0.00 C ATOM 41 C ASP A 5 -3.494 -0.444 -0.338 1.00 0.00 C ATOM 42 O ASP A 5 -2.466 -0.719 0.265 1.00 0.00 O ATOM 43 CB ASP A 5 -2.845 0.594 -2.540 1.00 0.00 C ATOM 44 CG ASP A 5 -3.374 -0.600 -3.311 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.322 -0.435 -4.101 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.831 -1.709 -3.142 1.00 0.00 O ATOM 47 H ASP A 5 -2.030 2.186 -0.692 1.00 0.00 H ATOM 48 HA ASP A 5 -4.597 1.061 -1.385 1.00 0.00 H ATOM 49 HB2 ASP A 5 -2.969 1.474 -3.153 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.792 0.439 -2.352 1.00 0.00 H ATOM 51 N PRO A 6 -4.581 -1.225 -0.254 1.00 0.00 N ATOM 52 CA PRO A 6 -4.628 -2.442 0.579 1.00 0.00 C ATOM 53 C PRO A 6 -3.568 -3.483 0.211 1.00 0.00 C ATOM 54 O PRO A 6 -3.331 -4.433 0.955 1.00 0.00 O ATOM 55 CB PRO A 6 -6.035 -3.000 0.328 1.00 0.00 C ATOM 56 CG PRO A 6 -6.499 -2.346 -0.930 1.00 0.00 C ATOM 57 CD PRO A 6 -5.854 -0.991 -0.952 1.00 0.00 C ATOM 58 HA PRO A 6 -4.522 -2.196 1.623 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.983 -4.074 0.218 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.676 -2.750 1.160 1.00 0.00 H ATOM 61 HG2 PRO A 6 -6.183 -2.927 -1.784 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.575 -2.248 -0.918 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.684 -0.668 -1.969 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.460 -0.274 -0.420 1.00 0.00 H ATOM 65 N ARG A 7 -2.933 -3.294 -0.931 1.00 0.00 N ATOM 66 CA ARG A 7 -1.906 -4.202 -1.411 1.00 0.00 C ATOM 67 C ARG A 7 -0.561 -3.485 -1.526 1.00 0.00 C ATOM 68 O ARG A 7 0.492 -4.108 -1.676 1.00 0.00 O ATOM 69 CB ARG A 7 -2.369 -4.761 -2.762 1.00 0.00 C ATOM 70 CG ARG A 7 -1.262 -5.074 -3.755 1.00 0.00 C ATOM 71 CD ARG A 7 -1.682 -4.705 -5.171 1.00 0.00 C ATOM 72 NE ARG A 7 -2.475 -3.470 -5.213 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.102 -3.016 -6.298 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.004 -3.673 -7.451 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.828 -1.906 -6.232 1.00 0.00 N ATOM 76 H ARG A 7 -3.171 -2.514 -1.484 1.00 0.00 H ATOM 77 HA ARG A 7 -1.815 -5.006 -0.704 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.917 -5.667 -2.581 1.00 0.00 H ATOM 79 HB3 ARG A 7 -3.034 -4.041 -3.218 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.381 -4.508 -3.491 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.042 -6.130 -3.716 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.794 -4.570 -5.772 1.00 0.00 H ATOM 83 HD3 ARG A 7 -2.271 -5.513 -5.579 1.00 0.00 H ATOM 84 HE ARG A 7 -2.554 -2.948 -4.368 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.457 -4.509 -7.507 1.00 0.00 H ATOM 86 HH12 ARG A 7 -3.474 -3.333 -8.266 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.910 -1.399 -5.350 1.00 0.00 H ATOM 88 HH22 ARG A 7 -4.298 -1.558 -7.040 1.00 0.00 H ATOM 89 N CYS A 8 -0.607 -2.177 -1.395 1.00 0.00 N ATOM 90 CA CYS A 8 0.588 -1.347 -1.529 1.00 0.00 C ATOM 91 C CYS A 8 0.819 -0.473 -0.294 1.00 0.00 C ATOM 92 O CYS A 8 1.658 0.425 -0.301 1.00 0.00 O ATOM 93 CB CYS A 8 0.443 -0.485 -2.789 1.00 0.00 C ATOM 94 SG CYS A 8 1.930 0.444 -3.284 1.00 0.00 S ATOM 95 H CYS A 8 -1.473 -1.755 -1.200 1.00 0.00 H ATOM 96 HA CYS A 8 1.433 -2.003 -1.646 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.175 -1.123 -3.617 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.351 0.231 -2.629 1.00 0.00 H ATOM 99 N LEU A 9 0.103 -0.777 0.777 1.00 0.00 N ATOM 100 CA LEU A 9 0.196 -0.038 2.025 1.00 0.00 C ATOM 101 C LEU A 9 1.627 -0.051 2.569 1.00 0.00 C ATOM 102 O LEU A 9 2.115 0.936 3.105 1.00 0.00 O ATOM 103 CB LEU A 9 -0.769 -0.676 3.025 1.00 0.00 C ATOM 104 CG LEU A 9 -0.378 -0.545 4.492 1.00 0.00 C ATOM 105 CD1 LEU A 9 -0.680 0.855 5.012 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.090 -1.595 5.330 1.00 0.00 C ATOM 107 H LEU A 9 -0.521 -1.526 0.732 1.00 0.00 H ATOM 108 HA LEU A 9 -0.112 0.986 1.841 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.740 -0.224 2.891 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.844 -1.728 2.788 1.00 0.00 H ATOM 111 HG LEU A 9 0.683 -0.713 4.573 1.00 0.00 H ATOM 112 HD11 LEU A 9 -0.405 0.919 6.053 1.00 0.00 H ATOM 113 HD12 LEU A 9 -1.736 1.058 4.905 1.00 0.00 H ATOM 114 HD13 LEU A 9 -0.115 1.579 4.443 1.00 0.00 H ATOM 115 HD21 LEU A 9 -0.813 -2.580 4.983 1.00 0.00 H ATOM 116 HD22 LEU A 9 -2.158 -1.468 5.235 1.00 0.00 H ATOM 117 HD23 LEU A 9 -0.804 -1.484 6.365 1.00 0.00 H ATOM 118 N TYR A 10 2.298 -1.180 2.402 1.00 0.00 N ATOM 119 CA TYR A 10 3.668 -1.340 2.875 1.00 0.00 C ATOM 120 C TYR A 10 4.667 -0.931 1.801 1.00 0.00 C ATOM 121 O TYR A 10 5.877 -1.058 1.972 1.00 0.00 O ATOM 122 CB TYR A 10 3.903 -2.789 3.297 1.00 0.00 C ATOM 123 CG TYR A 10 3.494 -3.814 2.257 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.165 -4.206 2.128 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.431 -4.387 1.407 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.785 -5.137 1.183 1.00 0.00 C ATOM 127 CE2 TYR A 10 4.057 -5.319 0.458 1.00 0.00 C ATOM 128 CZ TYR A 10 2.733 -5.690 0.350 1.00 0.00 C ATOM 129 OH TYR A 10 2.356 -6.613 -0.595 1.00 0.00 O ATOM 130 H TYR A 10 1.859 -1.929 1.952 1.00 0.00 H ATOM 131 HA TYR A 10 3.799 -0.700 3.734 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.950 -2.933 3.512 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.330 -2.977 4.184 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.425 -3.771 2.782 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.467 -4.093 1.493 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.748 -5.426 1.099 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.801 -5.754 -0.194 1.00 0.00 H ATOM 138 HH TYR A 10 1.608 -6.273 -1.093 1.00 0.00 H HETATM 139 N ABA A 11 4.144 -0.440 0.697 1.00 0.00 N HETATM 140 CA ABA A 11 4.971 -0.007 -0.424 1.00 0.00 C HETATM 141 C ABA A 11 4.753 1.474 -0.712 1.00 0.00 C HETATM 142 O ABA A 11 4.648 1.879 -1.868 1.00 0.00 O HETATM 143 CB ABA A 11 4.663 -0.834 -1.677 1.00 0.00 C HETATM 144 CG ABA A 11 4.983 -2.306 -1.533 1.00 0.00 C HETATM 145 H ABA A 11 3.169 -0.354 0.638 1.00 0.00 H HETATM 146 HA ABA A 11 6.005 -0.159 -0.149 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.241 -0.448 -2.504 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.613 -0.747 -1.907 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.565 -2.676 -0.608 1.00 0.00 H HETATM 150 HG3 ABA A 11 6.054 -2.442 -1.523 1.00 0.00 H HETATM 151 HG2 ABA A 11 4.557 -2.850 -2.363 1.00 0.00 H ATOM 152 N CYS A 12 4.682 2.272 0.349 1.00 0.00 N ATOM 153 CA CYS A 12 4.481 3.715 0.222 1.00 0.00 C ATOM 154 C CYS A 12 5.545 4.352 -0.669 1.00 0.00 C ATOM 155 O CYS A 12 5.241 5.202 -1.505 1.00 0.00 O ATOM 156 CB CYS A 12 4.505 4.377 1.599 1.00 0.00 C ATOM 157 SG CYS A 12 3.187 3.820 2.722 1.00 0.00 S ATOM 158 H CYS A 12 4.754 1.880 1.244 1.00 0.00 H ATOM 159 HA CYS A 12 3.512 3.875 -0.226 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.446 4.161 2.073 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.404 5.446 1.478 1.00 0.00 H HETATM 162 N NH2 A 13 6.795 3.949 -0.480 1.00 0.00 N HETATM 163 HN1 NH2 A 13 6.962 3.268 0.204 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.497 4.346 -1.035 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 11 ATOM 1 N GLY A 1 -0.723 8.266 -3.477 1.00 0.00 N ATOM 2 CA GLY A 1 -1.896 7.597 -2.941 1.00 0.00 C ATOM 3 C GLY A 1 -1.681 6.107 -2.802 1.00 0.00 C ATOM 4 O GLY A 1 -2.465 5.412 -2.159 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.814 9.158 -3.877 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.122 8.012 -1.970 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.732 7.771 -3.602 1.00 0.00 H ATOM 8 N CYS A 2 -0.593 5.625 -3.393 1.00 0.00 N ATOM 9 CA CYS A 2 -0.248 4.204 -3.354 1.00 0.00 C ATOM 10 C CYS A 2 -0.041 3.741 -1.918 1.00 0.00 C ATOM 11 O CYS A 2 -0.344 2.607 -1.569 1.00 0.00 O ATOM 12 CB CYS A 2 1.025 3.947 -4.172 1.00 0.00 C ATOM 13 SG CYS A 2 1.212 2.238 -4.783 1.00 0.00 S ATOM 14 H CYS A 2 -0.006 6.244 -3.876 1.00 0.00 H ATOM 15 HA CYS A 2 -1.064 3.653 -3.782 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.026 4.601 -5.032 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.885 4.172 -3.558 1.00 0.00 H ATOM 18 N CYS A 3 0.412 4.660 -1.082 1.00 0.00 N ATOM 19 CA CYS A 3 0.700 4.371 0.321 1.00 0.00 C ATOM 20 C CYS A 3 -0.558 3.988 1.110 1.00 0.00 C ATOM 21 O CYS A 3 -0.473 3.639 2.282 1.00 0.00 O ATOM 22 CB CYS A 3 1.371 5.588 0.965 1.00 0.00 C ATOM 23 SG CYS A 3 2.541 5.188 2.303 1.00 0.00 S ATOM 24 H CYS A 3 0.549 5.565 -1.418 1.00 0.00 H ATOM 25 HA CYS A 3 1.389 3.542 0.351 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.916 6.129 0.208 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.607 6.232 1.378 1.00 0.00 H ATOM 28 N SER A 4 -1.723 4.050 0.477 1.00 0.00 N ATOM 29 CA SER A 4 -2.958 3.702 1.159 1.00 0.00 C ATOM 30 C SER A 4 -3.661 2.534 0.468 1.00 0.00 C ATOM 31 O SER A 4 -4.775 2.160 0.839 1.00 0.00 O ATOM 32 CB SER A 4 -3.884 4.922 1.232 1.00 0.00 C ATOM 33 OG SER A 4 -4.984 4.687 2.094 1.00 0.00 O ATOM 34 H SER A 4 -1.753 4.332 -0.461 1.00 0.00 H ATOM 35 HA SER A 4 -2.695 3.397 2.162 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.329 5.769 1.604 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.259 5.144 0.243 1.00 0.00 H ATOM 38 HG SER A 4 -5.311 3.789 1.955 1.00 0.00 H ATOM 39 N ASP A 5 -3.008 1.958 -0.531 1.00 0.00 N ATOM 40 CA ASP A 5 -3.567 0.822 -1.256 1.00 0.00 C ATOM 41 C ASP A 5 -3.342 -0.447 -0.437 1.00 0.00 C ATOM 42 O ASP A 5 -2.284 -0.620 0.147 1.00 0.00 O ATOM 43 CB ASP A 5 -2.913 0.705 -2.638 1.00 0.00 C ATOM 44 CG ASP A 5 -3.204 -0.616 -3.325 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.258 -0.738 -3.978 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.371 -1.539 -3.214 1.00 0.00 O ATOM 47 H ASP A 5 -2.117 2.291 -0.778 1.00 0.00 H ATOM 48 HA ASP A 5 -4.629 0.986 -1.372 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.277 1.502 -3.269 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.841 0.803 -2.530 1.00 0.00 H ATOM 51 N PRO A 6 -4.332 -1.350 -0.374 1.00 0.00 N ATOM 52 CA PRO A 6 -4.236 -2.594 0.415 1.00 0.00 C ATOM 53 C PRO A 6 -3.020 -3.463 0.085 1.00 0.00 C ATOM 54 O PRO A 6 -2.658 -4.352 0.856 1.00 0.00 O ATOM 55 CB PRO A 6 -5.528 -3.338 0.069 1.00 0.00 C ATOM 56 CG PRO A 6 -6.473 -2.279 -0.378 1.00 0.00 C ATOM 57 CD PRO A 6 -5.634 -1.231 -1.053 1.00 0.00 C ATOM 58 HA PRO A 6 -4.222 -2.374 1.466 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.334 -4.054 -0.717 1.00 0.00 H ATOM 60 HB3 PRO A 6 -5.896 -3.850 0.946 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.185 -2.695 -1.076 1.00 0.00 H ATOM 62 HG3 PRO A 6 -6.984 -1.857 0.474 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.541 -1.444 -2.108 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.061 -0.250 -0.901 1.00 0.00 H ATOM 65 N ARG A 7 -2.396 -3.209 -1.048 1.00 0.00 N ATOM 66 CA ARG A 7 -1.231 -3.971 -1.471 1.00 0.00 C ATOM 67 C ARG A 7 0.006 -3.075 -1.545 1.00 0.00 C ATOM 68 O ARG A 7 1.138 -3.546 -1.655 1.00 0.00 O ATOM 69 CB ARG A 7 -1.547 -4.628 -2.824 1.00 0.00 C ATOM 70 CG ARG A 7 -0.357 -4.832 -3.748 1.00 0.00 C ATOM 71 CD ARG A 7 -0.408 -3.874 -4.931 1.00 0.00 C ATOM 72 NE ARG A 7 -1.329 -4.332 -5.976 1.00 0.00 N ATOM 73 CZ ARG A 7 -2.512 -3.766 -6.236 1.00 0.00 C ATOM 74 NH1 ARG A 7 -2.952 -2.759 -5.494 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.264 -4.224 -7.232 1.00 0.00 N ATOM 76 H ARG A 7 -2.731 -2.486 -1.628 1.00 0.00 H ATOM 77 HA ARG A 7 -1.057 -4.739 -0.738 1.00 0.00 H ATOM 78 HB2 ARG A 7 -1.988 -5.588 -2.635 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.269 -4.013 -3.341 1.00 0.00 H ATOM 80 HG2 ARG A 7 0.553 -4.656 -3.193 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.367 -5.848 -4.116 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.733 -2.906 -4.578 1.00 0.00 H ATOM 83 HD3 ARG A 7 0.583 -3.788 -5.350 1.00 0.00 H ATOM 84 HE ARG A 7 -1.039 -5.095 -6.519 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.401 -2.409 -4.720 1.00 0.00 H ATOM 86 HH12 ARG A 7 -3.839 -2.330 -5.686 1.00 0.00 H ATOM 87 HH21 ARG A 7 -2.949 -4.992 -7.791 1.00 0.00 H ATOM 88 HH22 ARG A 7 -4.150 -3.800 -7.429 1.00 0.00 H ATOM 89 N CYS A 8 -0.219 -1.787 -1.423 1.00 0.00 N ATOM 90 CA CYS A 8 0.860 -0.804 -1.517 1.00 0.00 C ATOM 91 C CYS A 8 0.969 0.038 -0.245 1.00 0.00 C ATOM 92 O CYS A 8 1.721 1.007 -0.183 1.00 0.00 O ATOM 93 CB CYS A 8 0.617 0.073 -2.754 1.00 0.00 C ATOM 94 SG CYS A 8 1.976 1.205 -3.207 1.00 0.00 S ATOM 95 H CYS A 8 -1.143 -1.486 -1.267 1.00 0.00 H ATOM 96 HA CYS A 8 1.778 -1.345 -1.643 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.441 -0.568 -3.603 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.263 0.675 -2.582 1.00 0.00 H ATOM 99 N LEU A 9 0.236 -0.364 0.774 1.00 0.00 N ATOM 100 CA LEU A 9 0.225 0.328 2.057 1.00 0.00 C ATOM 101 C LEU A 9 1.536 0.103 2.808 1.00 0.00 C ATOM 102 O LEU A 9 2.091 1.016 3.409 1.00 0.00 O ATOM 103 CB LEU A 9 -0.939 -0.203 2.885 1.00 0.00 C ATOM 104 CG LEU A 9 -1.816 0.861 3.549 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.168 0.275 3.921 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.129 1.430 4.781 1.00 0.00 C ATOM 107 H LEU A 9 -0.346 -1.143 0.656 1.00 0.00 H ATOM 108 HA LEU A 9 0.080 1.387 1.878 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.559 -0.799 2.231 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.538 -0.844 3.654 1.00 0.00 H ATOM 111 HG LEU A 9 -1.982 1.669 2.852 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.772 1.034 4.397 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.028 -0.552 4.602 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.667 -0.074 3.029 1.00 0.00 H ATOM 115 HD21 LEU A 9 -0.945 0.637 5.490 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.763 2.178 5.234 1.00 0.00 H ATOM 117 HD23 LEU A 9 -0.190 1.881 4.494 1.00 0.00 H ATOM 118 N TYR A 10 2.020 -1.130 2.761 1.00 0.00 N ATOM 119 CA TYR A 10 3.256 -1.505 3.442 1.00 0.00 C ATOM 120 C TYR A 10 4.463 -1.317 2.536 1.00 0.00 C ATOM 121 O TYR A 10 5.608 -1.447 2.961 1.00 0.00 O ATOM 122 CB TYR A 10 3.176 -2.958 3.906 1.00 0.00 C ATOM 123 CG TYR A 10 2.210 -3.810 3.108 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.590 -4.388 1.902 1.00 0.00 C ATOM 125 CD2 TYR A 10 0.915 -4.029 3.561 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.705 -5.161 1.173 1.00 0.00 C ATOM 127 CE2 TYR A 10 0.027 -4.800 2.838 1.00 0.00 C ATOM 128 CZ TYR A 10 0.425 -5.363 1.646 1.00 0.00 C ATOM 129 OH TYR A 10 -0.460 -6.124 0.921 1.00 0.00 O ATOM 130 H TYR A 10 1.530 -1.809 2.257 1.00 0.00 H ATOM 131 HA TYR A 10 3.366 -0.866 4.305 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.154 -3.408 3.834 1.00 0.00 H ATOM 133 HB3 TYR A 10 2.856 -2.969 4.929 1.00 0.00 H ATOM 134 HD1 TYR A 10 3.593 -4.227 1.536 1.00 0.00 H ATOM 135 HD2 TYR A 10 0.605 -3.587 4.497 1.00 0.00 H ATOM 136 HE1 TYR A 10 2.018 -5.601 0.239 1.00 0.00 H ATOM 137 HE2 TYR A 10 -0.975 -4.959 3.208 1.00 0.00 H ATOM 138 HH TYR A 10 -1.335 -5.714 0.949 1.00 0.00 H HETATM 139 N ABA A 11 4.188 -1.025 1.286 1.00 0.00 N HETATM 140 CA ABA A 11 5.237 -0.814 0.298 1.00 0.00 C HETATM 141 C ABA A 11 4.861 0.323 -0.645 1.00 0.00 C HETATM 142 O ABA A 11 4.674 0.119 -1.843 1.00 0.00 O HETATM 143 CB ABA A 11 5.513 -2.109 -0.483 1.00 0.00 C HETATM 144 CG ABA A 11 4.271 -2.776 -1.038 1.00 0.00 C HETATM 145 H ABA A 11 3.252 -0.940 1.021 1.00 0.00 H HETATM 146 HA ABA A 11 6.134 -0.534 0.831 1.00 0.00 H HETATM 147 HB3 ABA A 11 6.005 -2.815 0.171 1.00 0.00 H HETATM 148 HB2 ABA A 11 6.164 -1.886 -1.315 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.456 -3.832 -1.169 1.00 0.00 H HETATM 150 HG3 ABA A 11 4.020 -2.334 -1.990 1.00 0.00 H HETATM 151 HG2 ABA A 11 3.450 -2.638 -0.349 1.00 0.00 H ATOM 152 N CYS A 12 4.744 1.519 -0.081 1.00 0.00 N ATOM 153 CA CYS A 12 4.384 2.709 -0.842 1.00 0.00 C ATOM 154 C CYS A 12 5.441 3.038 -1.895 1.00 0.00 C ATOM 155 O CYS A 12 6.450 3.678 -1.601 1.00 0.00 O ATOM 156 CB CYS A 12 4.211 3.895 0.108 1.00 0.00 C ATOM 157 SG CYS A 12 3.418 3.461 1.691 1.00 0.00 S ATOM 158 H CYS A 12 4.895 1.604 0.884 1.00 0.00 H ATOM 159 HA CYS A 12 3.445 2.516 -1.339 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.180 4.316 0.330 1.00 0.00 H ATOM 161 HB3 CYS A 12 3.598 4.645 -0.373 1.00 0.00 H HETATM 162 N NH2 A 13 5.203 2.604 -3.124 1.00 0.00 N HETATM 163 HN1 NH2 A 13 4.377 2.098 -3.284 1.00 0.00 H HETATM 164 HN2 NH2 A 13 5.861 2.802 -3.820 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 12 ATOM 1 N GLY A 1 -0.154 7.894 -3.632 1.00 0.00 N ATOM 2 CA GLY A 1 -1.410 7.339 -3.163 1.00 0.00 C ATOM 3 C GLY A 1 -1.320 5.846 -2.938 1.00 0.00 C ATOM 4 O GLY A 1 -2.184 5.250 -2.297 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.139 8.787 -4.037 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.680 7.819 -2.233 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.177 7.538 -3.896 1.00 0.00 H ATOM 8 N CYS A 2 -0.248 5.251 -3.450 1.00 0.00 N ATOM 9 CA CYS A 2 -0.019 3.812 -3.321 1.00 0.00 C ATOM 10 C CYS A 2 0.133 3.431 -1.852 1.00 0.00 C ATOM 11 O CYS A 2 -0.200 2.325 -1.443 1.00 0.00 O ATOM 12 CB CYS A 2 1.238 3.410 -4.104 1.00 0.00 C ATOM 13 SG CYS A 2 1.202 1.722 -4.794 1.00 0.00 S ATOM 14 H CYS A 2 0.410 5.796 -3.931 1.00 0.00 H ATOM 15 HA CYS A 2 -0.873 3.300 -3.728 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.371 4.095 -4.928 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.095 3.478 -3.449 1.00 0.00 H ATOM 18 N CYS A 3 0.588 4.396 -1.066 1.00 0.00 N ATOM 19 CA CYS A 3 0.817 4.218 0.367 1.00 0.00 C ATOM 20 C CYS A 3 -0.452 3.786 1.113 1.00 0.00 C ATOM 21 O CYS A 3 -0.371 3.224 2.201 1.00 0.00 O ATOM 22 CB CYS A 3 1.338 5.531 0.960 1.00 0.00 C ATOM 23 SG CYS A 3 1.967 5.397 2.665 1.00 0.00 S ATOM 24 H CYS A 3 0.775 5.266 -1.466 1.00 0.00 H ATOM 25 HA CYS A 3 1.575 3.458 0.493 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.145 5.897 0.344 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.537 6.256 0.962 1.00 0.00 H ATOM 28 N SER A 4 -1.622 4.029 0.531 1.00 0.00 N ATOM 29 CA SER A 4 -2.867 3.677 1.200 1.00 0.00 C ATOM 30 C SER A 4 -3.611 2.547 0.487 1.00 0.00 C ATOM 31 O SER A 4 -4.753 2.237 0.833 1.00 0.00 O ATOM 32 CB SER A 4 -3.762 4.916 1.319 1.00 0.00 C ATOM 33 OG SER A 4 -4.858 4.684 2.185 1.00 0.00 O ATOM 34 H SER A 4 -1.649 4.436 -0.360 1.00 0.00 H ATOM 35 HA SER A 4 -2.610 3.337 2.193 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.181 5.739 1.708 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.141 5.177 0.342 1.00 0.00 H ATOM 38 HG SER A 4 -5.209 3.800 2.023 1.00 0.00 H ATOM 39 N ASP A 5 -2.977 1.932 -0.499 1.00 0.00 N ATOM 40 CA ASP A 5 -3.601 0.827 -1.221 1.00 0.00 C ATOM 41 C ASP A 5 -3.502 -0.436 -0.369 1.00 0.00 C ATOM 42 O ASP A 5 -2.466 -0.696 0.224 1.00 0.00 O ATOM 43 CB ASP A 5 -2.924 0.625 -2.581 1.00 0.00 C ATOM 44 CG ASP A 5 -3.363 -0.651 -3.274 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.404 -0.639 -3.961 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.662 -1.674 -3.138 1.00 0.00 O ATOM 47 H ASP A 5 -2.065 2.209 -0.734 1.00 0.00 H ATOM 48 HA ASP A 5 -4.643 1.071 -1.370 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.163 1.460 -3.222 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.853 0.585 -2.438 1.00 0.00 H ATOM 51 N PRO A 6 -4.575 -1.240 -0.293 1.00 0.00 N ATOM 52 CA PRO A 6 -4.604 -2.465 0.528 1.00 0.00 C ATOM 53 C PRO A 6 -3.504 -3.479 0.201 1.00 0.00 C ATOM 54 O PRO A 6 -3.271 -4.414 0.965 1.00 0.00 O ATOM 55 CB PRO A 6 -5.988 -3.066 0.237 1.00 0.00 C ATOM 56 CG PRO A 6 -6.457 -2.393 -1.008 1.00 0.00 C ATOM 57 CD PRO A 6 -5.852 -1.020 -0.987 1.00 0.00 C ATOM 58 HA PRO A 6 -4.538 -2.220 1.573 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.895 -4.133 0.098 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.650 -2.864 1.066 1.00 0.00 H ATOM 61 HG2 PRO A 6 -6.114 -2.941 -1.874 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.535 -2.327 -1.007 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.690 -0.661 -1.993 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.479 -0.337 -0.435 1.00 0.00 H ATOM 65 N ARG A 7 -2.833 -3.293 -0.919 1.00 0.00 N ATOM 66 CA ARG A 7 -1.767 -4.192 -1.335 1.00 0.00 C ATOM 67 C ARG A 7 -0.448 -3.431 -1.456 1.00 0.00 C ATOM 68 O ARG A 7 0.630 -4.012 -1.559 1.00 0.00 O ATOM 69 CB ARG A 7 -2.174 -4.851 -2.664 1.00 0.00 C ATOM 70 CG ARG A 7 -1.024 -5.210 -3.594 1.00 0.00 C ATOM 71 CD ARG A 7 -0.951 -4.253 -4.775 1.00 0.00 C ATOM 72 NE ARG A 7 -1.892 -4.613 -5.841 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.009 -3.931 -6.121 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.362 -2.889 -5.382 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.780 -4.308 -7.136 1.00 0.00 N ATOM 76 H ARG A 7 -3.061 -2.525 -1.493 1.00 0.00 H ATOM 77 HA ARG A 7 -1.662 -4.951 -0.581 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.714 -5.751 -2.441 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.832 -4.176 -3.192 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.097 -5.159 -3.043 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.172 -6.215 -3.963 1.00 0.00 H ATOM 82 HD2 ARG A 7 -1.182 -3.257 -4.428 1.00 0.00 H ATOM 83 HD3 ARG A 7 0.052 -4.269 -5.173 1.00 0.00 H ATOM 84 HE ARG A 7 -1.667 -5.398 -6.384 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.794 -2.598 -4.596 1.00 0.00 H ATOM 86 HH12 ARG A 7 -4.198 -2.373 -5.591 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.530 -5.102 -7.693 1.00 0.00 H ATOM 88 HH22 ARG A 7 -4.617 -3.799 -7.349 1.00 0.00 H ATOM 89 N CYS A 8 -0.550 -2.124 -1.385 1.00 0.00 N ATOM 90 CA CYS A 8 0.613 -1.254 -1.522 1.00 0.00 C ATOM 91 C CYS A 8 0.839 -0.427 -0.259 1.00 0.00 C ATOM 92 O CYS A 8 1.684 0.464 -0.225 1.00 0.00 O ATOM 93 CB CYS A 8 0.418 -0.350 -2.743 1.00 0.00 C ATOM 94 SG CYS A 8 1.905 0.543 -3.298 1.00 0.00 S ATOM 95 H CYS A 8 -1.439 -1.729 -1.234 1.00 0.00 H ATOM 96 HA CYS A 8 1.473 -1.881 -1.678 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.079 -0.953 -3.571 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.339 0.386 -2.512 1.00 0.00 H ATOM 99 N LEU A 9 0.094 -0.759 0.782 1.00 0.00 N ATOM 100 CA LEU A 9 0.177 -0.081 2.071 1.00 0.00 C ATOM 101 C LEU A 9 1.611 -0.070 2.601 1.00 0.00 C ATOM 102 O LEU A 9 2.096 0.935 3.106 1.00 0.00 O ATOM 103 CB LEU A 9 -0.731 -0.803 3.062 1.00 0.00 C ATOM 104 CG LEU A 9 -2.081 -0.133 3.324 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.041 -1.110 3.985 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.905 1.105 4.190 1.00 0.00 C ATOM 107 H LEU A 9 -0.561 -1.480 0.676 1.00 0.00 H ATOM 108 HA LEU A 9 -0.172 0.938 1.947 1.00 0.00 H ATOM 109 HB2 LEU A 9 -0.914 -1.797 2.673 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.206 -0.892 4.000 1.00 0.00 H ATOM 111 HG LEU A 9 -2.513 0.174 2.382 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.987 -0.620 4.165 1.00 0.00 H ATOM 113 HD12 LEU A 9 -2.624 -1.446 4.922 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.195 -1.959 3.334 1.00 0.00 H ATOM 115 HD21 LEU A 9 -2.867 1.563 4.364 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.258 1.808 3.684 1.00 0.00 H ATOM 117 HD23 LEU A 9 -1.462 0.824 5.133 1.00 0.00 H ATOM 118 N TYR A 10 2.282 -1.204 2.474 1.00 0.00 N ATOM 119 CA TYR A 10 3.658 -1.344 2.938 1.00 0.00 C ATOM 120 C TYR A 10 4.648 -0.997 1.834 1.00 0.00 C ATOM 121 O TYR A 10 5.857 -1.160 1.985 1.00 0.00 O ATOM 122 CB TYR A 10 3.892 -2.768 3.437 1.00 0.00 C ATOM 123 CG TYR A 10 3.568 -3.849 2.424 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.256 -4.253 2.206 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.574 -4.470 1.692 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.954 -5.239 1.289 1.00 0.00 C ATOM 127 CE2 TYR A 10 4.280 -5.459 0.772 1.00 0.00 C ATOM 128 CZ TYR A 10 2.969 -5.840 0.574 1.00 0.00 C ATOM 129 OH TYR A 10 2.672 -6.822 -0.340 1.00 0.00 O ATOM 130 H TYR A 10 1.841 -1.970 2.056 1.00 0.00 H ATOM 131 HA TYR A 10 3.800 -0.658 3.759 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.928 -2.879 3.721 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.270 -2.929 4.296 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.463 -3.779 2.766 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.599 -4.169 1.849 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.927 -5.534 1.134 1.00 0.00 H ATOM 137 HE2 TYR A 10 5.075 -5.930 0.214 1.00 0.00 H ATOM 138 HH TYR A 10 3.246 -7.578 -0.196 1.00 0.00 H HETATM 139 N ABA A 11 4.120 -0.515 0.729 1.00 0.00 N HETATM 140 CA ABA A 11 4.937 -0.144 -0.420 1.00 0.00 C HETATM 141 C ABA A 11 4.775 1.337 -0.744 1.00 0.00 C HETATM 142 O ABA A 11 4.726 1.723 -1.909 1.00 0.00 O HETATM 143 CB ABA A 11 4.562 -0.987 -1.643 1.00 0.00 C HETATM 144 CG ABA A 11 4.795 -2.471 -1.458 1.00 0.00 C HETATM 145 H ABA A 11 3.146 -0.394 0.689 1.00 0.00 H HETATM 146 HA ABA A 11 5.969 -0.333 -0.167 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.149 -0.662 -2.489 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.515 -0.843 -1.862 1.00 0.00 H HETATM 149 HG1 ABA A 11 3.896 -3.012 -1.715 1.00 0.00 H HETATM 150 HG3 ABA A 11 5.051 -2.670 -0.428 1.00 0.00 H HETATM 151 HG2 ABA A 11 5.603 -2.791 -2.098 1.00 0.00 H ATOM 152 N CYS A 12 4.693 2.160 0.298 1.00 0.00 N ATOM 153 CA CYS A 12 4.537 3.606 0.135 1.00 0.00 C ATOM 154 C CYS A 12 5.649 4.193 -0.732 1.00 0.00 C ATOM 155 O CYS A 12 5.399 5.028 -1.599 1.00 0.00 O ATOM 156 CB CYS A 12 4.534 4.295 1.498 1.00 0.00 C ATOM 157 SG CYS A 12 3.184 3.776 2.599 1.00 0.00 S ATOM 158 H CYS A 12 4.722 1.785 1.204 1.00 0.00 H ATOM 159 HA CYS A 12 3.589 3.783 -0.349 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.461 4.080 2.001 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.449 5.363 1.354 1.00 0.00 H HETATM 162 N NH2 A 13 6.881 3.763 -0.487 1.00 0.00 N HETATM 163 HN1 NH2 A 13 7.006 3.096 0.219 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.613 4.128 -1.025 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 13 ATOM 1 N GLY A 1 -0.724 8.372 -3.487 1.00 0.00 N ATOM 2 CA GLY A 1 -1.896 7.720 -2.931 1.00 0.00 C ATOM 3 C GLY A 1 -1.710 6.223 -2.820 1.00 0.00 C ATOM 4 O GLY A 1 -2.509 5.532 -2.192 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.809 9.266 -3.884 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.088 8.124 -1.946 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.745 7.923 -3.565 1.00 0.00 H ATOM 8 N CYS A 2 -0.632 5.732 -3.419 1.00 0.00 N ATOM 9 CA CYS A 2 -0.317 4.304 -3.403 1.00 0.00 C ATOM 10 C CYS A 2 -0.107 3.815 -1.977 1.00 0.00 C ATOM 11 O CYS A 2 -0.434 2.684 -1.643 1.00 0.00 O ATOM 12 CB CYS A 2 0.944 4.031 -4.237 1.00 0.00 C ATOM 13 SG CYS A 2 1.129 2.305 -4.803 1.00 0.00 S ATOM 14 H CYS A 2 -0.032 6.348 -3.890 1.00 0.00 H ATOM 15 HA CYS A 2 -1.147 3.776 -3.832 1.00 0.00 H ATOM 16 HB2 CYS A 2 0.927 4.659 -5.113 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.814 4.276 -3.645 1.00 0.00 H ATOM 18 N CYS A 3 0.373 4.711 -1.131 1.00 0.00 N ATOM 19 CA CYS A 3 0.667 4.396 0.267 1.00 0.00 C ATOM 20 C CYS A 3 -0.585 3.994 1.058 1.00 0.00 C ATOM 21 O CYS A 3 -0.491 3.637 2.227 1.00 0.00 O ATOM 22 CB CYS A 3 1.340 5.601 0.931 1.00 0.00 C ATOM 23 SG CYS A 3 2.515 5.181 2.259 1.00 0.00 S ATOM 24 H CYS A 3 0.525 5.619 -1.454 1.00 0.00 H ATOM 25 HA CYS A 3 1.359 3.569 0.277 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.884 6.156 0.181 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.578 6.238 1.356 1.00 0.00 H ATOM 28 N SER A 4 -1.754 4.049 0.431 1.00 0.00 N ATOM 29 CA SER A 4 -2.981 3.680 1.116 1.00 0.00 C ATOM 30 C SER A 4 -3.657 2.486 0.438 1.00 0.00 C ATOM 31 O SER A 4 -4.748 2.072 0.834 1.00 0.00 O ATOM 32 CB SER A 4 -3.935 4.877 1.178 1.00 0.00 C ATOM 33 OG SER A 4 -5.030 4.623 2.041 1.00 0.00 O ATOM 34 H SER A 4 -1.791 4.341 -0.503 1.00 0.00 H ATOM 35 HA SER A 4 -2.710 3.391 2.123 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.401 5.742 1.544 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.314 5.083 0.188 1.00 0.00 H ATOM 38 HG SER A 4 -5.322 3.710 1.925 1.00 0.00 H ATOM 39 N ASP A 5 -3.007 1.940 -0.580 1.00 0.00 N ATOM 40 CA ASP A 5 -3.538 0.782 -1.293 1.00 0.00 C ATOM 41 C ASP A 5 -3.304 -0.463 -0.443 1.00 0.00 C ATOM 42 O ASP A 5 -2.253 -0.597 0.162 1.00 0.00 O ATOM 43 CB ASP A 5 -2.852 0.651 -2.661 1.00 0.00 C ATOM 44 CG ASP A 5 -3.158 -0.657 -3.366 1.00 0.00 C ATOM 45 OD1 ASP A 5 -2.416 -1.637 -3.160 1.00 0.00 O ATOM 46 OD2 ASP A 5 -4.125 -0.709 -4.147 1.00 0.00 O ATOM 47 H ASP A 5 -2.138 2.309 -0.848 1.00 0.00 H ATOM 48 HA ASP A 5 -4.599 0.925 -1.432 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.180 1.460 -3.296 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.783 0.721 -2.524 1.00 0.00 H ATOM 51 N PRO A 6 -4.274 -1.386 -0.371 1.00 0.00 N ATOM 52 CA PRO A 6 -4.156 -2.606 0.450 1.00 0.00 C ATOM 53 C PRO A 6 -2.908 -3.444 0.165 1.00 0.00 C ATOM 54 O PRO A 6 -2.511 -4.277 0.978 1.00 0.00 O ATOM 55 CB PRO A 6 -5.420 -3.395 0.099 1.00 0.00 C ATOM 56 CG PRO A 6 -6.390 -2.370 -0.379 1.00 0.00 C ATOM 57 CD PRO A 6 -5.571 -1.315 -1.067 1.00 0.00 C ATOM 58 HA PRO A 6 -4.169 -2.361 1.496 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.194 -4.117 -0.673 1.00 0.00 H ATOM 60 HB3 PRO A 6 -5.786 -3.904 0.979 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.085 -2.818 -1.073 1.00 0.00 H ATOM 62 HG3 PRO A 6 -6.919 -1.944 0.461 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.458 -1.549 -2.116 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.023 -0.343 -0.941 1.00 0.00 H ATOM 65 N ARG A 7 -2.296 -3.217 -0.979 1.00 0.00 N ATOM 66 CA ARG A 7 -1.101 -3.942 -1.380 1.00 0.00 C ATOM 67 C ARG A 7 0.105 -3.006 -1.449 1.00 0.00 C ATOM 68 O ARG A 7 1.259 -3.433 -1.483 1.00 0.00 O ATOM 69 CB ARG A 7 -1.379 -4.604 -2.735 1.00 0.00 C ATOM 70 CG ARG A 7 -0.175 -4.734 -3.652 1.00 0.00 C ATOM 71 CD ARG A 7 -0.544 -4.383 -5.087 1.00 0.00 C ATOM 72 NE ARG A 7 -1.560 -3.325 -5.157 1.00 0.00 N ATOM 73 CZ ARG A 7 -2.202 -2.975 -6.271 1.00 0.00 C ATOM 74 NH1 ARG A 7 -1.902 -3.563 -7.425 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.141 -2.037 -6.231 1.00 0.00 N ATOM 76 H ARG A 7 -2.662 -2.533 -1.588 1.00 0.00 H ATOM 77 HA ARG A 7 -0.911 -4.703 -0.645 1.00 0.00 H ATOM 78 HB2 ARG A 7 -1.768 -5.590 -2.556 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.132 -4.025 -3.251 1.00 0.00 H ATOM 80 HG2 ARG A 7 0.600 -4.063 -3.314 1.00 0.00 H ATOM 81 HG3 ARG A 7 0.184 -5.752 -3.620 1.00 0.00 H ATOM 82 HD2 ARG A 7 0.345 -4.048 -5.600 1.00 0.00 H ATOM 83 HD3 ARG A 7 -0.926 -5.268 -5.573 1.00 0.00 H ATOM 84 HE ARG A 7 -1.788 -2.853 -4.311 1.00 0.00 H ATOM 85 HH11 ARG A 7 -1.194 -4.268 -7.460 1.00 0.00 H ATOM 86 HH12 ARG A 7 -2.383 -3.302 -8.264 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.377 -1.585 -5.349 1.00 0.00 H ATOM 88 HH22 ARG A 7 -3.624 -1.768 -7.062 1.00 0.00 H ATOM 89 N CYS A 8 -0.178 -1.726 -1.403 1.00 0.00 N ATOM 90 CA CYS A 8 0.863 -0.706 -1.499 1.00 0.00 C ATOM 91 C CYS A 8 0.938 0.128 -0.221 1.00 0.00 C ATOM 92 O CYS A 8 1.606 1.156 -0.162 1.00 0.00 O ATOM 93 CB CYS A 8 0.587 0.168 -2.731 1.00 0.00 C ATOM 94 SG CYS A 8 1.920 1.317 -3.212 1.00 0.00 S ATOM 95 H CYS A 8 -1.117 -1.456 -1.290 1.00 0.00 H ATOM 96 HA CYS A 8 1.801 -1.211 -1.627 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.402 -0.477 -3.576 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.299 0.758 -2.543 1.00 0.00 H ATOM 99 N LEU A 9 0.260 -0.351 0.806 1.00 0.00 N ATOM 100 CA LEU A 9 0.227 0.310 2.102 1.00 0.00 C ATOM 101 C LEU A 9 1.525 0.049 2.857 1.00 0.00 C ATOM 102 O LEU A 9 2.082 0.932 3.500 1.00 0.00 O ATOM 103 CB LEU A 9 -0.951 -0.235 2.901 1.00 0.00 C ATOM 104 CG LEU A 9 -1.899 0.816 3.481 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.226 0.180 3.863 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.271 1.499 4.687 1.00 0.00 C ATOM 107 H LEU A 9 -0.264 -1.170 0.682 1.00 0.00 H ATOM 108 HA LEU A 9 0.093 1.375 1.948 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.517 -0.882 2.246 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.561 -0.827 3.714 1.00 0.00 H ATOM 111 HG LEU A 9 -2.094 1.570 2.731 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.886 0.936 4.261 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.058 -0.580 4.612 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.676 -0.268 2.990 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.060 0.763 5.448 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.953 2.238 5.079 1.00 0.00 H ATOM 117 HD23 LEU A 9 -0.351 1.981 4.389 1.00 0.00 H ATOM 118 N TYR A 10 1.996 -1.187 2.767 1.00 0.00 N ATOM 119 CA TYR A 10 3.225 -1.596 3.434 1.00 0.00 C ATOM 120 C TYR A 10 4.427 -1.374 2.526 1.00 0.00 C ATOM 121 O TYR A 10 5.575 -1.402 2.966 1.00 0.00 O ATOM 122 CB TYR A 10 3.136 -3.068 3.854 1.00 0.00 C ATOM 123 CG TYR A 10 2.564 -3.989 2.792 1.00 0.00 C ATOM 124 CD1 TYR A 10 1.193 -4.201 2.695 1.00 0.00 C ATOM 125 CD2 TYR A 10 3.393 -4.648 1.894 1.00 0.00 C ATOM 126 CE1 TYR A 10 0.667 -5.040 1.731 1.00 0.00 C ATOM 127 CE2 TYR A 10 2.873 -5.487 0.926 1.00 0.00 C ATOM 128 CZ TYR A 10 1.511 -5.681 0.849 1.00 0.00 C ATOM 129 OH TYR A 10 0.990 -6.513 -0.114 1.00 0.00 O ATOM 130 H TYR A 10 1.499 -1.845 2.242 1.00 0.00 H ATOM 131 HA TYR A 10 3.341 -0.986 4.318 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.125 -3.424 4.101 1.00 0.00 H ATOM 133 HB3 TYR A 10 2.507 -3.140 4.725 1.00 0.00 H ATOM 134 HD1 TYR A 10 0.533 -3.697 3.385 1.00 0.00 H ATOM 135 HD2 TYR A 10 4.460 -4.495 1.956 1.00 0.00 H ATOM 136 HE1 TYR A 10 -0.401 -5.190 1.670 1.00 0.00 H ATOM 137 HE2 TYR A 10 3.536 -5.991 0.238 1.00 0.00 H ATOM 138 HH TYR A 10 1.431 -7.365 -0.073 1.00 0.00 H HETATM 139 N ABA A 11 4.148 -1.163 1.253 1.00 0.00 N HETATM 140 CA ABA A 11 5.187 -0.924 0.261 1.00 0.00 C HETATM 141 C ABA A 11 4.785 0.229 -0.645 1.00 0.00 C HETATM 142 O ABA A 11 4.503 0.031 -1.824 1.00 0.00 O HETATM 143 CB ABA A 11 5.449 -2.180 -0.579 1.00 0.00 C HETATM 144 CG ABA A 11 6.127 -3.299 0.182 1.00 0.00 C HETATM 145 H ABA A 11 3.211 -1.153 0.974 1.00 0.00 H HETATM 146 HA ABA A 11 6.093 -0.656 0.785 1.00 0.00 H HETATM 147 HB3 ABA A 11 6.079 -1.918 -1.417 1.00 0.00 H HETATM 148 HB2 ABA A 11 4.507 -2.558 -0.950 1.00 0.00 H HETATM 149 HG1 ABA A 11 6.002 -4.227 -0.355 1.00 0.00 H HETATM 150 HG3 ABA A 11 5.683 -3.388 1.162 1.00 0.00 H HETATM 151 HG2 ABA A 11 7.180 -3.079 0.281 1.00 0.00 H ATOM 152 N CYS A 12 4.741 1.426 -0.076 1.00 0.00 N ATOM 153 CA CYS A 12 4.366 2.624 -0.817 1.00 0.00 C ATOM 154 C CYS A 12 5.397 2.951 -1.895 1.00 0.00 C ATOM 155 O CYS A 12 6.422 3.575 -1.623 1.00 0.00 O ATOM 156 CB CYS A 12 4.221 3.806 0.143 1.00 0.00 C ATOM 157 SG CYS A 12 3.314 3.408 1.673 1.00 0.00 S ATOM 158 H CYS A 12 4.956 1.508 0.877 1.00 0.00 H ATOM 159 HA CYS A 12 3.414 2.437 -1.290 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.203 4.156 0.425 1.00 0.00 H ATOM 161 HB3 CYS A 12 3.689 4.603 -0.356 1.00 0.00 H HETATM 162 N NH2 A 13 5.121 2.530 -3.121 1.00 0.00 N HETATM 163 HN1 NH2 A 13 4.283 2.036 -3.263 1.00 0.00 H HETATM 164 HN2 NH2 A 13 5.763 2.724 -3.832 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 14 ATOM 1 N GLY A 1 -0.578 8.224 -3.554 1.00 0.00 N ATOM 2 CA GLY A 1 -1.787 7.614 -3.031 1.00 0.00 C ATOM 3 C GLY A 1 -1.641 6.117 -2.874 1.00 0.00 C ATOM 4 O GLY A 1 -2.474 5.461 -2.252 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.624 9.113 -3.967 1.00 0.00 H ATOM 6 HA2 GLY A 1 -2.009 8.049 -2.067 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.605 7.819 -3.705 1.00 0.00 H ATOM 8 N CYS A 2 -0.557 5.583 -3.426 1.00 0.00 N ATOM 9 CA CYS A 2 -0.280 4.151 -3.362 1.00 0.00 C ATOM 10 C CYS A 2 -0.085 3.707 -1.917 1.00 0.00 C ATOM 11 O CYS A 2 -0.394 2.579 -1.555 1.00 0.00 O ATOM 12 CB CYS A 2 0.972 3.815 -4.185 1.00 0.00 C ATOM 13 SG CYS A 2 1.027 2.109 -4.833 1.00 0.00 S ATOM 14 H CYS A 2 0.071 6.172 -3.894 1.00 0.00 H ATOM 15 HA CYS A 2 -1.125 3.631 -3.773 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.023 4.485 -5.031 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.846 3.961 -3.568 1.00 0.00 H ATOM 18 N CYS A 3 0.367 4.634 -1.089 1.00 0.00 N ATOM 19 CA CYS A 3 0.638 4.362 0.322 1.00 0.00 C ATOM 20 C CYS A 3 -0.622 3.961 1.099 1.00 0.00 C ATOM 21 O CYS A 3 -0.538 3.578 2.260 1.00 0.00 O ATOM 22 CB CYS A 3 1.271 5.594 0.973 1.00 0.00 C ATOM 23 SG CYS A 3 2.416 5.213 2.335 1.00 0.00 S ATOM 24 H CYS A 3 0.518 5.533 -1.435 1.00 0.00 H ATOM 25 HA CYS A 3 1.349 3.548 0.370 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.822 6.144 0.225 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.487 6.224 1.368 1.00 0.00 H ATOM 28 N SER A 4 -1.789 4.043 0.469 1.00 0.00 N ATOM 29 CA SER A 4 -3.024 3.687 1.150 1.00 0.00 C ATOM 30 C SER A 4 -3.723 2.512 0.465 1.00 0.00 C ATOM 31 O SER A 4 -4.843 2.150 0.827 1.00 0.00 O ATOM 32 CB SER A 4 -3.957 4.901 1.221 1.00 0.00 C ATOM 33 OG SER A 4 -5.045 4.668 2.100 1.00 0.00 O ATOM 34 H SER A 4 -1.820 4.344 -0.463 1.00 0.00 H ATOM 35 HA SER A 4 -2.760 3.387 2.155 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.403 5.756 1.577 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.345 5.111 0.235 1.00 0.00 H ATOM 38 HG SER A 4 -5.384 3.777 1.955 1.00 0.00 H ATOM 39 N ASP A 5 -3.061 1.917 -0.517 1.00 0.00 N ATOM 40 CA ASP A 5 -3.621 0.773 -1.232 1.00 0.00 C ATOM 41 C ASP A 5 -3.400 -0.489 -0.401 1.00 0.00 C ATOM 42 O ASP A 5 -2.339 -0.662 0.178 1.00 0.00 O ATOM 43 CB ASP A 5 -2.964 0.641 -2.611 1.00 0.00 C ATOM 44 CG ASP A 5 -3.282 -0.675 -3.298 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.372 -0.801 -3.875 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.425 -1.583 -3.269 1.00 0.00 O ATOM 47 H ASP A 5 -2.166 2.241 -0.758 1.00 0.00 H ATOM 48 HA ASP A 5 -4.681 0.937 -1.352 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.309 1.443 -3.244 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.892 0.715 -2.499 1.00 0.00 H ATOM 51 N PRO A 6 -4.395 -1.384 -0.324 1.00 0.00 N ATOM 52 CA PRO A 6 -4.301 -2.624 0.472 1.00 0.00 C ATOM 53 C PRO A 6 -3.078 -3.491 0.151 1.00 0.00 C ATOM 54 O PRO A 6 -2.696 -4.354 0.943 1.00 0.00 O ATOM 55 CB PRO A 6 -5.587 -3.372 0.118 1.00 0.00 C ATOM 56 CG PRO A 6 -6.538 -2.312 -0.317 1.00 0.00 C ATOM 57 CD PRO A 6 -5.704 -1.259 -0.990 1.00 0.00 C ATOM 58 HA PRO A 6 -4.296 -2.402 1.524 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.390 -4.078 -0.676 1.00 0.00 H ATOM 60 HB3 PRO A 6 -5.954 -3.896 0.989 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.253 -2.724 -1.014 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.044 -1.898 0.541 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.620 -1.461 -2.047 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.127 -0.279 -0.824 1.00 0.00 H ATOM 65 N ARG A 7 -2.469 -3.260 -0.997 1.00 0.00 N ATOM 66 CA ARG A 7 -1.299 -4.023 -1.412 1.00 0.00 C ATOM 67 C ARG A 7 -0.072 -3.113 -1.518 1.00 0.00 C ATOM 68 O ARG A 7 1.061 -3.567 -1.684 1.00 0.00 O ATOM 69 CB ARG A 7 -1.613 -4.703 -2.753 1.00 0.00 C ATOM 70 CG ARG A 7 -0.400 -5.169 -3.543 1.00 0.00 C ATOM 71 CD ARG A 7 -0.375 -4.546 -4.931 1.00 0.00 C ATOM 72 NE ARG A 7 -0.832 -3.153 -4.919 1.00 0.00 N ATOM 73 CZ ARG A 7 -0.277 -2.169 -5.623 1.00 0.00 C ATOM 74 NH1 ARG A 7 0.791 -2.400 -6.383 1.00 0.00 N ATOM 75 NH2 ARG A 7 -0.793 -0.949 -5.555 1.00 0.00 N ATOM 76 H ARG A 7 -2.820 -2.560 -1.592 1.00 0.00 H ATOM 77 HA ARG A 7 -1.111 -4.776 -0.666 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.235 -5.557 -2.561 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.164 -4.005 -3.368 1.00 0.00 H ATOM 80 HG2 ARG A 7 0.496 -4.882 -3.014 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.435 -6.244 -3.640 1.00 0.00 H ATOM 82 HD2 ARG A 7 0.636 -4.577 -5.309 1.00 0.00 H ATOM 83 HD3 ARG A 7 -1.018 -5.120 -5.582 1.00 0.00 H ATOM 84 HE ARG A 7 -1.615 -2.938 -4.347 1.00 0.00 H ATOM 85 HH11 ARG A 7 1.184 -3.320 -6.429 1.00 0.00 H ATOM 86 HH12 ARG A 7 1.208 -1.657 -6.908 1.00 0.00 H ATOM 87 HH21 ARG A 7 -1.600 -0.780 -4.973 1.00 0.00 H ATOM 88 HH22 ARG A 7 -0.384 -0.194 -6.069 1.00 0.00 H ATOM 89 N CYS A 8 -0.302 -1.828 -1.361 1.00 0.00 N ATOM 90 CA CYS A 8 0.767 -0.840 -1.482 1.00 0.00 C ATOM 91 C CYS A 8 0.925 -0.015 -0.205 1.00 0.00 C ATOM 92 O CYS A 8 1.733 0.906 -0.139 1.00 0.00 O ATOM 93 CB CYS A 8 0.467 0.055 -2.688 1.00 0.00 C ATOM 94 SG CYS A 8 1.869 1.023 -3.334 1.00 0.00 S ATOM 95 H CYS A 8 -1.219 -1.533 -1.162 1.00 0.00 H ATOM 96 HA CYS A 8 1.681 -1.373 -1.653 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.109 -0.564 -3.497 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.312 0.753 -2.414 1.00 0.00 H ATOM 99 N LEU A 9 0.162 -0.382 0.807 1.00 0.00 N ATOM 100 CA LEU A 9 0.187 0.287 2.102 1.00 0.00 C ATOM 101 C LEU A 9 1.544 0.108 2.778 1.00 0.00 C ATOM 102 O LEU A 9 2.090 1.029 3.371 1.00 0.00 O ATOM 103 CB LEU A 9 -0.902 -0.318 2.980 1.00 0.00 C ATOM 104 CG LEU A 9 -2.078 0.605 3.308 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.314 -0.212 3.647 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.724 1.533 4.461 1.00 0.00 C ATOM 107 H LEU A 9 -0.466 -1.122 0.674 1.00 0.00 H ATOM 108 HA LEU A 9 -0.016 1.341 1.954 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.284 -1.190 2.467 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.449 -0.637 3.907 1.00 0.00 H ATOM 111 HG LEU A 9 -2.303 1.213 2.444 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.583 -0.826 2.801 1.00 0.00 H ATOM 113 HD12 LEU A 9 -4.131 0.454 3.883 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.107 -0.842 4.499 1.00 0.00 H ATOM 115 HD21 LEU A 9 -0.878 2.144 4.186 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.476 0.944 5.332 1.00 0.00 H ATOM 117 HD23 LEU A 9 -2.570 2.167 4.684 1.00 0.00 H ATOM 118 N TYR A 10 2.065 -1.105 2.687 1.00 0.00 N ATOM 119 CA TYR A 10 3.351 -1.445 3.282 1.00 0.00 C ATOM 120 C TYR A 10 4.487 -1.219 2.296 1.00 0.00 C ATOM 121 O TYR A 10 5.658 -1.200 2.664 1.00 0.00 O ATOM 122 CB TYR A 10 3.342 -2.904 3.739 1.00 0.00 C ATOM 123 CG TYR A 10 2.322 -3.766 3.023 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.605 -4.336 1.788 1.00 0.00 C ATOM 125 CD2 TYR A 10 1.071 -4.002 3.581 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.673 -5.115 1.131 1.00 0.00 C ATOM 127 CE2 TYR A 10 0.134 -4.781 2.932 1.00 0.00 C ATOM 128 CZ TYR A 10 0.439 -5.335 1.707 1.00 0.00 C ATOM 129 OH TYR A 10 -0.494 -6.105 1.052 1.00 0.00 O ATOM 130 H TYR A 10 1.568 -1.796 2.208 1.00 0.00 H ATOM 131 HA TYR A 10 3.500 -0.808 4.140 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.317 -3.335 3.570 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.119 -2.932 4.788 1.00 0.00 H ATOM 134 HD1 TYR A 10 3.572 -4.163 1.340 1.00 0.00 H ATOM 135 HD2 TYR A 10 0.834 -3.566 4.540 1.00 0.00 H ATOM 136 HE1 TYR A 10 1.912 -5.551 0.173 1.00 0.00 H ATOM 137 HE2 TYR A 10 -0.832 -4.952 3.382 1.00 0.00 H ATOM 138 HH TYR A 10 -1.359 -5.677 1.106 1.00 0.00 H HETATM 139 N ABA A 11 4.126 -1.057 1.040 1.00 0.00 N HETATM 140 CA ABA A 11 5.104 -0.847 -0.019 1.00 0.00 C HETATM 141 C ABA A 11 4.863 0.477 -0.732 1.00 0.00 C HETATM 142 O ABA A 11 4.607 0.502 -1.935 1.00 0.00 O HETATM 143 CB ABA A 11 5.055 -1.997 -1.030 1.00 0.00 C HETATM 144 CG ABA A 11 5.419 -3.343 -0.444 1.00 0.00 C HETATM 145 H ABA A 11 3.174 -1.067 0.822 1.00 0.00 H HETATM 146 HA ABA A 11 6.083 -0.823 0.436 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.744 -1.788 -1.836 1.00 0.00 H HETATM 148 HB2 ABA A 11 4.055 -2.073 -1.431 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.785 -4.106 -0.871 1.00 0.00 H HETATM 150 HG3 ABA A 11 5.280 -3.319 0.627 1.00 0.00 H HETATM 151 HG2 ABA A 11 6.452 -3.567 -0.667 1.00 0.00 H ATOM 152 N CYS A 12 4.942 1.572 0.013 1.00 0.00 N ATOM 153 CA CYS A 12 4.734 2.900 -0.553 1.00 0.00 C ATOM 154 C CYS A 12 5.927 3.323 -1.410 1.00 0.00 C ATOM 155 O CYS A 12 6.813 4.041 -0.951 1.00 0.00 O ATOM 156 CB CYS A 12 4.511 3.925 0.561 1.00 0.00 C ATOM 157 SG CYS A 12 3.246 3.446 1.777 1.00 0.00 S ATOM 158 H CYS A 12 5.136 1.487 0.970 1.00 0.00 H ATOM 159 HA CYS A 12 3.853 2.862 -1.177 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.435 4.070 1.095 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.205 4.863 0.121 1.00 0.00 H HETATM 162 N NH2 A 13 5.943 2.883 -2.660 1.00 0.00 N HETATM 163 HN1 NH2 A 13 5.202 2.312 -2.958 1.00 0.00 H HETATM 164 HN2 NH2 A 13 6.694 3.142 -3.232 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 15 ATOM 1 N GLY A 1 -0.215 7.846 -3.707 1.00 0.00 N ATOM 2 CA GLY A 1 -1.452 7.285 -3.196 1.00 0.00 C ATOM 3 C GLY A 1 -1.338 5.795 -2.954 1.00 0.00 C ATOM 4 O GLY A 1 -2.181 5.198 -2.285 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.227 8.723 -4.149 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.702 7.774 -2.265 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.241 7.464 -3.911 1.00 0.00 H ATOM 8 N CYS A 2 -0.269 5.207 -3.480 1.00 0.00 N ATOM 9 CA CYS A 2 -0.019 3.773 -3.339 1.00 0.00 C ATOM 10 C CYS A 2 0.144 3.408 -1.867 1.00 0.00 C ATOM 11 O CYS A 2 -0.183 2.304 -1.445 1.00 0.00 O ATOM 12 CB CYS A 2 1.243 3.383 -4.122 1.00 0.00 C ATOM 13 SG CYS A 2 1.230 1.690 -4.802 1.00 0.00 S ATOM 14 H CYS A 2 0.371 5.754 -3.982 1.00 0.00 H ATOM 15 HA CYS A 2 -0.865 3.245 -3.738 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.364 4.064 -4.950 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.100 3.467 -3.469 1.00 0.00 H ATOM 18 N CYS A 3 0.600 4.381 -1.094 1.00 0.00 N ATOM 19 CA CYS A 3 0.837 4.218 0.341 1.00 0.00 C ATOM 20 C CYS A 3 -0.421 3.770 1.096 1.00 0.00 C ATOM 21 O CYS A 3 -0.324 3.171 2.161 1.00 0.00 O ATOM 22 CB CYS A 3 1.338 5.545 0.922 1.00 0.00 C ATOM 23 SG CYS A 3 1.915 5.447 2.648 1.00 0.00 S ATOM 24 H CYS A 3 0.782 5.247 -1.503 1.00 0.00 H ATOM 25 HA CYS A 3 1.609 3.472 0.470 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.163 5.900 0.323 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.537 6.268 0.884 1.00 0.00 H ATOM 28 N SER A 4 -1.599 4.038 0.542 1.00 0.00 N ATOM 29 CA SER A 4 -2.834 3.673 1.221 1.00 0.00 C ATOM 30 C SER A 4 -3.580 2.548 0.504 1.00 0.00 C ATOM 31 O SER A 4 -4.720 2.232 0.851 1.00 0.00 O ATOM 32 CB SER A 4 -3.734 4.905 1.366 1.00 0.00 C ATOM 33 OG SER A 4 -4.827 4.651 2.230 1.00 0.00 O ATOM 34 H SER A 4 -1.639 4.473 -0.335 1.00 0.00 H ATOM 35 HA SER A 4 -2.563 3.322 2.208 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.157 5.723 1.770 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.117 5.183 0.395 1.00 0.00 H ATOM 38 HG SER A 4 -5.167 3.765 2.060 1.00 0.00 H ATOM 39 N ASP A 5 -2.947 1.943 -0.489 1.00 0.00 N ATOM 40 CA ASP A 5 -3.568 0.843 -1.217 1.00 0.00 C ATOM 41 C ASP A 5 -3.491 -0.416 -0.357 1.00 0.00 C ATOM 42 O ASP A 5 -2.457 -0.692 0.230 1.00 0.00 O ATOM 43 CB ASP A 5 -2.862 0.631 -2.561 1.00 0.00 C ATOM 44 CG ASP A 5 -3.375 -0.578 -3.320 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.322 -0.433 -4.115 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.821 -1.679 -3.137 1.00 0.00 O ATOM 47 H ASP A 5 -2.038 2.227 -0.725 1.00 0.00 H ATOM 48 HA ASP A 5 -4.604 1.093 -1.389 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.009 1.504 -3.178 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.804 0.498 -2.385 1.00 0.00 H ATOM 51 N PRO A 6 -4.579 -1.197 -0.263 1.00 0.00 N ATOM 52 CA PRO A 6 -4.620 -2.416 0.570 1.00 0.00 C ATOM 53 C PRO A 6 -3.562 -3.461 0.203 1.00 0.00 C ATOM 54 O PRO A 6 -3.360 -4.432 0.931 1.00 0.00 O ATOM 55 CB PRO A 6 -6.029 -2.974 0.328 1.00 0.00 C ATOM 56 CG PRO A 6 -6.504 -2.316 -0.924 1.00 0.00 C ATOM 57 CD PRO A 6 -5.857 -0.962 -0.950 1.00 0.00 C ATOM 58 HA PRO A 6 -4.510 -2.168 1.612 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.977 -4.046 0.213 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.663 -2.727 1.167 1.00 0.00 H ATOM 61 HG2 PRO A 6 -6.197 -2.894 -1.782 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.580 -2.217 -0.902 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.696 -0.638 -1.969 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.458 -0.244 -0.412 1.00 0.00 H ATOM 65 N ARG A 7 -2.896 -3.255 -0.914 1.00 0.00 N ATOM 66 CA ARG A 7 -1.865 -4.164 -1.387 1.00 0.00 C ATOM 67 C ARG A 7 -0.527 -3.436 -1.506 1.00 0.00 C ATOM 68 O ARG A 7 0.534 -4.046 -1.633 1.00 0.00 O ATOM 69 CB ARG A 7 -2.321 -4.739 -2.734 1.00 0.00 C ATOM 70 CG ARG A 7 -1.206 -5.057 -3.717 1.00 0.00 C ATOM 71 CD ARG A 7 -1.616 -4.697 -5.138 1.00 0.00 C ATOM 72 NE ARG A 7 -2.414 -3.466 -5.191 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.025 -3.014 -6.287 1.00 0.00 C ATOM 74 NH1 ARG A 7 -2.899 -3.667 -7.439 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.761 -1.910 -6.230 1.00 0.00 N ATOM 76 H ARG A 7 -3.106 -2.458 -1.453 1.00 0.00 H ATOM 77 HA ARG A 7 -1.768 -4.960 -0.672 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.866 -5.645 -2.546 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.985 -4.027 -3.202 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.327 -4.490 -3.449 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.986 -6.113 -3.671 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.724 -4.561 -5.732 1.00 0.00 H ATOM 83 HD3 ARG A 7 -2.198 -5.510 -5.547 1.00 0.00 H ATOM 84 HE ARG A 7 -2.510 -2.946 -4.347 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.344 -4.498 -7.485 1.00 0.00 H ATOM 86 HH12 ARG A 7 -3.357 -3.329 -8.261 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.863 -1.407 -5.349 1.00 0.00 H ATOM 88 HH22 ARG A 7 -4.220 -1.565 -7.046 1.00 0.00 H ATOM 89 N CYS A 8 -0.591 -2.129 -1.406 1.00 0.00 N ATOM 90 CA CYS A 8 0.593 -1.286 -1.538 1.00 0.00 C ATOM 91 C CYS A 8 0.833 -0.466 -0.272 1.00 0.00 C ATOM 92 O CYS A 8 1.677 0.428 -0.241 1.00 0.00 O ATOM 93 CB CYS A 8 0.420 -0.380 -2.760 1.00 0.00 C ATOM 94 SG CYS A 8 1.911 0.526 -3.284 1.00 0.00 S ATOM 95 H CYS A 8 -1.465 -1.714 -1.234 1.00 0.00 H ATOM 96 HA CYS A 8 1.440 -1.933 -1.693 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.099 -0.981 -3.597 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.346 0.352 -2.543 1.00 0.00 H ATOM 99 N LEU A 9 0.100 -0.809 0.776 1.00 0.00 N ATOM 100 CA LEU A 9 0.192 -0.137 2.069 1.00 0.00 C ATOM 101 C LEU A 9 1.629 -0.117 2.590 1.00 0.00 C ATOM 102 O LEU A 9 2.103 0.884 3.113 1.00 0.00 O ATOM 103 CB LEU A 9 -0.703 -0.871 3.064 1.00 0.00 C ATOM 104 CG LEU A 9 -2.076 -0.238 3.303 1.00 0.00 C ATOM 105 CD1 LEU A 9 -2.989 -1.211 4.033 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.938 1.055 4.093 1.00 0.00 C ATOM 107 H LEU A 9 -0.551 -1.534 0.671 1.00 0.00 H ATOM 108 HA LEU A 9 -0.166 0.880 1.954 1.00 0.00 H ATOM 109 HB2 LEU A 9 -0.853 -1.876 2.690 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.184 -0.929 4.009 1.00 0.00 H ATOM 111 HG LEU A 9 -2.529 -0.004 2.351 1.00 0.00 H ATOM 112 HD11 LEU A 9 -2.550 -1.473 4.983 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.115 -2.102 3.436 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.952 -0.747 4.195 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.326 1.751 3.540 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.476 0.847 5.046 1.00 0.00 H ATOM 117 HD23 LEU A 9 -2.916 1.484 4.253 1.00 0.00 H ATOM 118 N TYR A 10 2.316 -1.238 2.435 1.00 0.00 N ATOM 119 CA TYR A 10 3.695 -1.366 2.894 1.00 0.00 C ATOM 120 C TYR A 10 4.676 -0.972 1.798 1.00 0.00 C ATOM 121 O TYR A 10 5.889 -1.102 1.949 1.00 0.00 O ATOM 122 CB TYR A 10 3.956 -2.798 3.354 1.00 0.00 C ATOM 123 CG TYR A 10 3.633 -3.859 2.320 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.324 -4.277 2.112 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.636 -4.446 1.558 1.00 0.00 C ATOM 126 CE1 TYR A 10 2.023 -5.246 1.176 1.00 0.00 C ATOM 127 CE2 TYR A 10 4.342 -5.416 0.617 1.00 0.00 C ATOM 128 CZ TYR A 10 3.036 -5.812 0.431 1.00 0.00 C ATOM 129 OH TYR A 10 2.741 -6.778 -0.502 1.00 0.00 O ATOM 130 H TYR A 10 1.885 -2.002 2.003 1.00 0.00 H ATOM 131 HA TYR A 10 3.827 -0.700 3.732 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.997 -2.901 3.621 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.348 -2.988 4.218 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.533 -3.831 2.696 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.659 -4.133 1.706 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.998 -5.555 1.032 1.00 0.00 H ATOM 137 HE2 TYR A 10 5.136 -5.858 0.034 1.00 0.00 H ATOM 138 HH TYR A 10 3.334 -7.524 -0.390 1.00 0.00 H HETATM 139 N ABA A 11 4.139 -0.489 0.700 1.00 0.00 N HETATM 140 CA ABA A 11 4.950 -0.075 -0.439 1.00 0.00 C HETATM 141 C ABA A 11 4.792 1.419 -0.702 1.00 0.00 C HETATM 142 O ABA A 11 4.742 1.852 -1.851 1.00 0.00 O HETATM 143 CB ABA A 11 4.567 -0.869 -1.692 1.00 0.00 C HETATM 144 CG ABA A 11 4.793 -2.360 -1.564 1.00 0.00 C HETATM 145 H ABA A 11 3.162 -0.396 0.656 1.00 0.00 H HETATM 146 HA ABA A 11 5.982 -0.277 -0.198 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.154 -0.514 -2.527 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.521 -0.712 -1.903 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.114 -2.884 -2.219 1.00 0.00 H HETATM 150 HG3 ABA A 11 4.617 -2.665 -0.544 1.00 0.00 H HETATM 151 HG2 ABA A 11 5.812 -2.594 -1.838 1.00 0.00 H ATOM 152 N CYS A 12 4.713 2.198 0.374 1.00 0.00 N ATOM 153 CA CYS A 12 4.566 3.649 0.269 1.00 0.00 C ATOM 154 C CYS A 12 5.706 4.266 -0.540 1.00 0.00 C ATOM 155 O CYS A 12 5.485 5.150 -1.367 1.00 0.00 O ATOM 156 CB CYS A 12 4.528 4.280 1.660 1.00 0.00 C ATOM 157 SG CYS A 12 3.093 3.796 2.666 1.00 0.00 S ATOM 158 H CYS A 12 4.738 1.785 1.263 1.00 0.00 H ATOM 159 HA CYS A 12 3.633 3.851 -0.233 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.413 3.991 2.199 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.511 5.356 1.559 1.00 0.00 H HETATM 162 N NH2 A 13 6.924 3.805 -0.292 1.00 0.00 N HETATM 163 HN1 NH2 A 13 7.024 3.100 0.380 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.673 4.187 -0.794 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 16 ATOM 1 N GLY A 1 -0.002 7.771 -3.699 1.00 0.00 N ATOM 2 CA GLY A 1 -1.280 7.258 -3.239 1.00 0.00 C ATOM 3 C GLY A 1 -1.236 5.765 -2.996 1.00 0.00 C ATOM 4 O GLY A 1 -2.110 5.209 -2.334 1.00 0.00 O ATOM 5 H1 GLY A 1 0.051 8.675 -4.075 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.547 7.757 -2.319 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.032 7.470 -3.984 1.00 0.00 H ATOM 8 N CYS A 2 -0.191 5.127 -3.512 1.00 0.00 N ATOM 9 CA CYS A 2 -0.008 3.683 -3.368 1.00 0.00 C ATOM 10 C CYS A 2 0.157 3.322 -1.895 1.00 0.00 C ATOM 11 O CYS A 2 -0.182 2.224 -1.465 1.00 0.00 O ATOM 12 CB CYS A 2 1.225 3.233 -4.165 1.00 0.00 C ATOM 13 SG CYS A 2 1.121 1.545 -4.849 1.00 0.00 S ATOM 14 H CYS A 2 0.478 5.644 -4.010 1.00 0.00 H ATOM 15 HA CYS A 2 -0.885 3.193 -3.754 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.373 3.910 -4.992 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.091 3.272 -3.519 1.00 0.00 H ATOM 18 N CYS A 3 0.634 4.294 -1.131 1.00 0.00 N ATOM 19 CA CYS A 3 0.879 4.146 0.302 1.00 0.00 C ATOM 20 C CYS A 3 -0.372 3.700 1.069 1.00 0.00 C ATOM 21 O CYS A 3 -0.268 3.055 2.107 1.00 0.00 O ATOM 22 CB CYS A 3 1.375 5.481 0.865 1.00 0.00 C ATOM 23 SG CYS A 3 1.751 5.465 2.648 1.00 0.00 S ATOM 24 H CYS A 3 0.826 5.154 -1.552 1.00 0.00 H ATOM 25 HA CYS A 3 1.656 3.406 0.436 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.278 5.766 0.346 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.619 6.235 0.696 1.00 0.00 H ATOM 28 N SER A 4 -1.555 4.016 0.552 1.00 0.00 N ATOM 29 CA SER A 4 -2.783 3.664 1.249 1.00 0.00 C ATOM 30 C SER A 4 -3.561 2.555 0.543 1.00 0.00 C ATOM 31 O SER A 4 -4.705 2.268 0.904 1.00 0.00 O ATOM 32 CB SER A 4 -3.659 4.911 1.417 1.00 0.00 C ATOM 33 OG SER A 4 -4.743 4.670 2.298 1.00 0.00 O ATOM 34 H SER A 4 -1.602 4.479 -0.310 1.00 0.00 H ATOM 35 HA SER A 4 -2.499 3.305 2.228 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.061 5.716 1.817 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.052 5.202 0.453 1.00 0.00 H ATOM 38 HG SER A 4 -5.099 3.790 2.128 1.00 0.00 H ATOM 39 N ASP A 5 -2.956 1.929 -0.454 1.00 0.00 N ATOM 40 CA ASP A 5 -3.618 0.842 -1.167 1.00 0.00 C ATOM 41 C ASP A 5 -3.540 -0.425 -0.319 1.00 0.00 C ATOM 42 O ASP A 5 -2.493 -0.733 0.230 1.00 0.00 O ATOM 43 CB ASP A 5 -2.969 0.620 -2.537 1.00 0.00 C ATOM 44 CG ASP A 5 -3.481 -0.627 -3.233 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.550 -0.569 -3.872 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.810 -1.678 -3.140 1.00 0.00 O ATOM 47 H ASP A 5 -2.041 2.186 -0.704 1.00 0.00 H ATOM 48 HA ASP A 5 -4.655 1.113 -1.301 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.178 1.470 -3.169 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.900 0.525 -2.411 1.00 0.00 H ATOM 51 N PRO A 6 -4.645 -1.177 -0.196 1.00 0.00 N ATOM 52 CA PRO A 6 -4.698 -2.402 0.626 1.00 0.00 C ATOM 53 C PRO A 6 -3.663 -3.467 0.248 1.00 0.00 C ATOM 54 O PRO A 6 -3.458 -4.428 0.986 1.00 0.00 O ATOM 55 CB PRO A 6 -6.119 -2.935 0.395 1.00 0.00 C ATOM 56 CG PRO A 6 -6.608 -2.240 -0.832 1.00 0.00 C ATOM 57 CD PRO A 6 -5.937 -0.898 -0.839 1.00 0.00 C ATOM 58 HA PRO A 6 -4.577 -2.164 1.669 1.00 0.00 H ATOM 59 HB2 PRO A 6 -6.084 -4.006 0.252 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.736 -2.703 1.250 1.00 0.00 H ATOM 61 HG2 PRO A 6 -6.328 -2.804 -1.710 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.679 -2.123 -0.786 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.799 -0.548 -1.852 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.509 -0.185 -0.263 1.00 0.00 H ATOM 65 N ARG A 7 -3.013 -3.292 -0.887 1.00 0.00 N ATOM 66 CA ARG A 7 -2.013 -4.240 -1.353 1.00 0.00 C ATOM 67 C ARG A 7 -0.663 -3.545 -1.532 1.00 0.00 C ATOM 68 O ARG A 7 0.373 -4.182 -1.731 1.00 0.00 O ATOM 69 CB ARG A 7 -2.515 -4.870 -2.662 1.00 0.00 C ATOM 70 CG ARG A 7 -1.436 -5.288 -3.648 1.00 0.00 C ATOM 71 CD ARG A 7 -1.456 -4.406 -4.888 1.00 0.00 C ATOM 72 NE ARG A 7 -2.554 -4.752 -5.797 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.638 -3.993 -5.987 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.807 -2.879 -5.289 1.00 0.00 N ATOM 75 NH2 ARG A 7 -4.564 -4.365 -6.866 1.00 0.00 N ATOM 76 H ARG A 7 -3.213 -2.500 -1.436 1.00 0.00 H ATOM 77 HA ARG A 7 -1.912 -5.009 -0.605 1.00 0.00 H ATOM 78 HB2 ARG A 7 -3.092 -5.741 -2.414 1.00 0.00 H ATOM 79 HB3 ARG A 7 -3.162 -4.159 -3.156 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.470 -5.202 -3.172 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.605 -6.314 -3.942 1.00 0.00 H ATOM 82 HD2 ARG A 7 -1.570 -3.377 -4.579 1.00 0.00 H ATOM 83 HD3 ARG A 7 -0.518 -4.522 -5.411 1.00 0.00 H ATOM 84 HE ARG A 7 -2.467 -5.588 -6.301 1.00 0.00 H ATOM 85 HH11 ARG A 7 -3.120 -2.593 -4.602 1.00 0.00 H ATOM 86 HH12 ARG A 7 -4.618 -2.306 -5.428 1.00 0.00 H ATOM 87 HH21 ARG A 7 -4.455 -5.211 -7.386 1.00 0.00 H ATOM 88 HH22 ARG A 7 -5.377 -3.796 -7.010 1.00 0.00 H ATOM 89 N CYS A 8 -0.685 -2.237 -1.399 1.00 0.00 N ATOM 90 CA CYS A 8 0.514 -1.422 -1.574 1.00 0.00 C ATOM 91 C CYS A 8 0.798 -0.576 -0.332 1.00 0.00 C ATOM 92 O CYS A 8 1.666 0.294 -0.339 1.00 0.00 O ATOM 93 CB CYS A 8 0.333 -0.537 -2.812 1.00 0.00 C ATOM 94 SG CYS A 8 1.824 0.348 -3.368 1.00 0.00 S ATOM 95 H CYS A 8 -1.540 -1.802 -1.183 1.00 0.00 H ATOM 96 HA CYS A 8 1.345 -2.088 -1.732 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.000 -1.152 -3.633 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.426 0.204 -2.601 1.00 0.00 H ATOM 99 N LEU A 9 0.080 -0.876 0.738 1.00 0.00 N ATOM 100 CA LEU A 9 0.208 -0.170 2.013 1.00 0.00 C ATOM 101 C LEU A 9 1.650 -0.167 2.527 1.00 0.00 C ATOM 102 O LEU A 9 2.103 0.793 3.141 1.00 0.00 O ATOM 103 CB LEU A 9 -0.698 -0.852 3.034 1.00 0.00 C ATOM 104 CG LEU A 9 -2.032 -0.149 3.301 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.016 -1.106 3.954 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.823 1.077 4.175 1.00 0.00 C ATOM 107 H LEU A 9 -0.587 -1.589 0.666 1.00 0.00 H ATOM 108 HA LEU A 9 -0.127 0.851 1.874 1.00 0.00 H ATOM 109 HB2 LEU A 9 -0.909 -1.850 2.672 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.162 -0.930 3.967 1.00 0.00 H ATOM 111 HG LEU A 9 -2.455 0.177 2.360 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.948 -0.592 4.138 1.00 0.00 H ATOM 113 HD12 LEU A 9 -2.609 -1.458 4.889 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.191 -1.946 3.298 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.394 0.777 5.120 1.00 0.00 H ATOM 116 HD22 LEU A 9 -2.774 1.560 4.350 1.00 0.00 H ATOM 117 HD23 LEU A 9 -1.156 1.765 3.679 1.00 0.00 H ATOM 118 N TYR A 10 2.366 -1.250 2.266 1.00 0.00 N ATOM 119 CA TYR A 10 3.751 -1.385 2.711 1.00 0.00 C ATOM 120 C TYR A 10 4.723 -0.830 1.679 1.00 0.00 C ATOM 121 O TYR A 10 5.934 -0.812 1.888 1.00 0.00 O ATOM 122 CB TYR A 10 4.063 -2.853 2.995 1.00 0.00 C ATOM 123 CG TYR A 10 3.609 -3.807 1.909 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.305 -4.288 1.886 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.479 -4.224 0.910 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.882 -5.154 0.899 1.00 0.00 C ATOM 127 CE2 TYR A 10 4.062 -5.091 -0.082 1.00 0.00 C ATOM 128 CZ TYR A 10 2.763 -5.552 -0.083 1.00 0.00 C ATOM 129 OH TYR A 10 2.341 -6.410 -1.070 1.00 0.00 O ATOM 130 H TYR A 10 1.954 -1.979 1.762 1.00 0.00 H ATOM 131 HA TYR A 10 3.858 -0.822 3.626 1.00 0.00 H ATOM 132 HB2 TYR A 10 5.129 -2.972 3.118 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.568 -3.134 3.905 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.617 -3.974 2.656 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.495 -3.861 0.914 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.863 -5.514 0.900 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.752 -5.404 -0.852 1.00 0.00 H ATOM 138 HH TYR A 10 1.539 -6.062 -1.473 1.00 0.00 H HETATM 139 N ABA A 11 4.182 -0.372 0.570 1.00 0.00 N HETATM 140 CA ABA A 11 4.990 0.184 -0.508 1.00 0.00 C HETATM 141 C ABA A 11 4.764 1.686 -0.634 1.00 0.00 C HETATM 142 O ABA A 11 4.624 2.212 -1.737 1.00 0.00 O HETATM 143 CB ABA A 11 4.673 -0.507 -1.838 1.00 0.00 C HETATM 144 CG ABA A 11 5.018 -1.980 -1.859 1.00 0.00 C HETATM 145 H ABA A 11 3.204 -0.397 0.477 1.00 0.00 H HETATM 146 HA ABA A 11 6.028 0.010 -0.263 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.231 -0.024 -2.628 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.618 -0.413 -2.042 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.434 -2.476 -2.620 1.00 0.00 H HETATM 150 HG3 ABA A 11 4.798 -2.415 -0.896 1.00 0.00 H HETATM 151 HG2 ABA A 11 6.069 -2.101 -2.077 1.00 0.00 H ATOM 152 N CYS A 12 4.725 2.368 0.504 1.00 0.00 N ATOM 153 CA CYS A 12 4.526 3.813 0.532 1.00 0.00 C ATOM 154 C CYS A 12 5.641 4.537 -0.219 1.00 0.00 C ATOM 155 O CYS A 12 5.390 5.474 -0.975 1.00 0.00 O ATOM 156 CB CYS A 12 4.466 4.315 1.974 1.00 0.00 C ATOM 157 SG CYS A 12 2.954 3.848 2.871 1.00 0.00 S ATOM 158 H CYS A 12 4.817 1.884 1.352 1.00 0.00 H ATOM 159 HA CYS A 12 3.584 4.027 0.047 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.300 3.909 2.517 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.530 5.393 1.977 1.00 0.00 H HETATM 162 N NH2 A 13 6.876 4.103 -0.004 1.00 0.00 N HETATM 163 HN1 NH2 A 13 7.002 3.351 0.611 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.611 4.551 -0.470 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 17 ATOM 1 N GLY A 1 -0.161 7.873 -3.633 1.00 0.00 N ATOM 2 CA GLY A 1 -1.418 7.311 -3.173 1.00 0.00 C ATOM 3 C GLY A 1 -1.318 5.818 -2.942 1.00 0.00 C ATOM 4 O GLY A 1 -2.175 5.223 -2.290 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.150 8.763 -4.046 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.700 7.792 -2.248 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.179 7.500 -3.915 1.00 0.00 H ATOM 8 N CYS A 2 -0.246 5.226 -3.458 1.00 0.00 N ATOM 9 CA CYS A 2 -0.011 3.789 -3.323 1.00 0.00 C ATOM 10 C CYS A 2 0.138 3.414 -1.852 1.00 0.00 C ATOM 11 O CYS A 2 -0.192 2.308 -1.441 1.00 0.00 O ATOM 12 CB CYS A 2 1.253 3.393 -4.102 1.00 0.00 C ATOM 13 SG CYS A 2 1.231 1.704 -4.791 1.00 0.00 S ATOM 14 H CYS A 2 0.405 5.773 -3.947 1.00 0.00 H ATOM 15 HA CYS A 2 -0.859 3.271 -3.733 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.386 4.077 -4.926 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.107 3.467 -3.443 1.00 0.00 H ATOM 18 N CYS A 3 0.587 4.383 -1.069 1.00 0.00 N ATOM 19 CA CYS A 3 0.811 4.212 0.366 1.00 0.00 C ATOM 20 C CYS A 3 -0.456 3.770 1.109 1.00 0.00 C ATOM 21 O CYS A 3 -0.373 3.179 2.182 1.00 0.00 O ATOM 22 CB CYS A 3 1.318 5.531 0.959 1.00 0.00 C ATOM 23 SG CYS A 3 1.937 5.406 2.667 1.00 0.00 S ATOM 24 H CYS A 3 0.773 5.253 -1.472 1.00 0.00 H ATOM 25 HA CYS A 3 1.577 3.460 0.498 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.126 5.903 0.348 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.511 6.249 0.955 1.00 0.00 H ATOM 28 N SER A 4 -1.627 4.035 0.541 1.00 0.00 N ATOM 29 CA SER A 4 -2.870 3.675 1.208 1.00 0.00 C ATOM 30 C SER A 4 -3.604 2.542 0.490 1.00 0.00 C ATOM 31 O SER A 4 -4.749 2.229 0.823 1.00 0.00 O ATOM 32 CB SER A 4 -3.773 4.908 1.328 1.00 0.00 C ATOM 33 OG SER A 4 -4.902 4.648 2.145 1.00 0.00 O ATOM 34 H SER A 4 -1.656 4.465 -0.339 1.00 0.00 H ATOM 35 HA SER A 4 -2.611 3.335 2.200 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.212 5.720 1.765 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.116 5.196 0.346 1.00 0.00 H ATOM 38 HG SER A 4 -5.236 3.763 1.952 1.00 0.00 H ATOM 39 N ASP A 5 -2.955 1.929 -0.486 1.00 0.00 N ATOM 40 CA ASP A 5 -3.562 0.821 -1.213 1.00 0.00 C ATOM 41 C ASP A 5 -3.485 -0.433 -0.344 1.00 0.00 C ATOM 42 O ASP A 5 -2.464 -0.686 0.276 1.00 0.00 O ATOM 43 CB ASP A 5 -2.844 0.605 -2.550 1.00 0.00 C ATOM 44 CG ASP A 5 -3.356 -0.600 -3.314 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.302 -0.454 -4.108 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.800 -1.702 -3.136 1.00 0.00 O ATOM 47 H ASP A 5 -2.042 2.211 -0.710 1.00 0.00 H ATOM 48 HA ASP A 5 -4.600 1.063 -1.394 1.00 0.00 H ATOM 49 HB2 ASP A 5 -2.983 1.480 -3.168 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.788 0.469 -2.363 1.00 0.00 H ATOM 51 N PRO A 6 -4.559 -1.234 -0.276 1.00 0.00 N ATOM 52 CA PRO A 6 -4.594 -2.450 0.558 1.00 0.00 C ATOM 53 C PRO A 6 -3.509 -3.473 0.211 1.00 0.00 C ATOM 54 O PRO A 6 -3.260 -4.406 0.971 1.00 0.00 O ATOM 55 CB PRO A 6 -5.987 -3.035 0.292 1.00 0.00 C ATOM 56 CG PRO A 6 -6.453 -2.389 -0.970 1.00 0.00 C ATOM 57 CD PRO A 6 -5.826 -1.025 -0.992 1.00 0.00 C ATOM 58 HA PRO A 6 -4.507 -2.197 1.602 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.912 -4.107 0.182 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.641 -2.799 1.118 1.00 0.00 H ATOM 61 HG2 PRO A 6 -6.125 -2.967 -1.821 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.530 -2.307 -0.964 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.648 -0.707 -2.010 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.450 -0.313 -0.474 1.00 0.00 H ATOM 65 N ARG A 7 -2.872 -3.286 -0.928 1.00 0.00 N ATOM 66 CA ARG A 7 -1.820 -4.179 -1.386 1.00 0.00 C ATOM 67 C ARG A 7 -0.492 -3.433 -1.500 1.00 0.00 C ATOM 68 O ARG A 7 0.577 -4.028 -1.627 1.00 0.00 O ATOM 69 CB ARG A 7 -2.257 -4.767 -2.733 1.00 0.00 C ATOM 70 CG ARG A 7 -1.135 -5.067 -3.712 1.00 0.00 C ATOM 71 CD ARG A 7 -1.541 -4.699 -5.132 1.00 0.00 C ATOM 72 NE ARG A 7 -2.365 -3.484 -5.179 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.015 -3.060 -6.263 1.00 0.00 C ATOM 74 NH1 ARG A 7 -2.910 -3.727 -7.408 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.770 -1.969 -6.201 1.00 0.00 N ATOM 76 H ARG A 7 -3.122 -2.521 -1.494 1.00 0.00 H ATOM 77 HA ARG A 7 -1.717 -4.971 -0.667 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.786 -5.683 -2.544 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.935 -4.070 -3.205 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.263 -4.492 -3.435 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.905 -6.121 -3.672 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.647 -4.536 -5.717 1.00 0.00 H ATOM 83 HD3 ARG A 7 -2.102 -5.519 -5.556 1.00 0.00 H ATOM 84 HE ARG A 7 -2.449 -2.956 -4.339 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.342 -4.549 -7.459 1.00 0.00 H ATOM 86 HH12 ARG A 7 -3.398 -3.410 -8.222 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.857 -1.453 -5.326 1.00 0.00 H ATOM 88 HH22 ARG A 7 -4.257 -1.642 -7.010 1.00 0.00 H ATOM 89 N CYS A 8 -0.571 -2.126 -1.396 1.00 0.00 N ATOM 90 CA CYS A 8 0.607 -1.275 -1.529 1.00 0.00 C ATOM 91 C CYS A 8 0.839 -0.432 -0.275 1.00 0.00 C ATOM 92 O CYS A 8 1.687 0.457 -0.257 1.00 0.00 O ATOM 93 CB CYS A 8 0.436 -0.388 -2.766 1.00 0.00 C ATOM 94 SG CYS A 8 1.922 0.528 -3.286 1.00 0.00 S ATOM 95 H CYS A 8 -1.449 -1.722 -1.222 1.00 0.00 H ATOM 96 HA CYS A 8 1.460 -1.916 -1.670 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.133 -1.005 -3.597 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.340 0.337 -2.568 1.00 0.00 H ATOM 99 N LEU A 9 0.100 -0.746 0.775 1.00 0.00 N ATOM 100 CA LEU A 9 0.195 -0.038 2.050 1.00 0.00 C ATOM 101 C LEU A 9 1.625 -0.055 2.586 1.00 0.00 C ATOM 102 O LEU A 9 2.123 0.939 3.100 1.00 0.00 O ATOM 103 CB LEU A 9 -0.739 -0.705 3.054 1.00 0.00 C ATOM 104 CG LEU A 9 -1.756 0.225 3.720 1.00 0.00 C ATOM 105 CD1 LEU A 9 -2.881 -0.581 4.349 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.077 1.096 4.766 1.00 0.00 C ATOM 107 H LEU A 9 -0.556 -1.467 0.687 1.00 0.00 H ATOM 108 HA LEU A 9 -0.124 0.987 1.897 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.277 -1.488 2.536 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.137 -1.159 3.826 1.00 0.00 H ATOM 111 HG LEU A 9 -2.187 0.872 2.971 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.578 0.089 4.829 1.00 0.00 H ATOM 113 HD12 LEU A 9 -2.471 -1.260 5.082 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.393 -1.144 3.582 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.808 1.748 5.221 1.00 0.00 H ATOM 116 HD22 LEU A 9 -0.308 1.690 4.296 1.00 0.00 H ATOM 117 HD23 LEU A 9 -0.634 0.469 5.525 1.00 0.00 H ATOM 118 N TYR A 10 2.279 -1.197 2.454 1.00 0.00 N ATOM 119 CA TYR A 10 3.650 -1.358 2.923 1.00 0.00 C ATOM 120 C TYR A 10 4.646 -1.012 1.827 1.00 0.00 C ATOM 121 O TYR A 10 5.851 -1.205 1.973 1.00 0.00 O ATOM 122 CB TYR A 10 3.867 -2.788 3.413 1.00 0.00 C ATOM 123 CG TYR A 10 3.442 -3.861 2.430 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.110 -4.248 2.328 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.371 -4.492 1.612 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.717 -5.228 1.440 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.985 -5.475 0.721 1.00 0.00 C ATOM 128 CZ TYR A 10 2.657 -5.840 0.639 1.00 0.00 C ATOM 129 OH TYR A 10 2.270 -6.820 -0.246 1.00 0.00 O ATOM 130 H TYR A 10 1.828 -1.954 2.030 1.00 0.00 H ATOM 131 HA TYR A 10 3.796 -0.679 3.750 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.913 -2.934 3.633 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.294 -2.922 4.311 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.375 -3.767 2.957 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.410 -4.204 1.678 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.676 -5.511 1.377 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.722 -5.955 0.093 1.00 0.00 H ATOM 138 HH TYR A 10 2.852 -7.577 -0.160 1.00 0.00 H HETATM 139 N ABA A 11 4.126 -0.500 0.733 1.00 0.00 N HETATM 140 CA ABA A 11 4.949 -0.122 -0.410 1.00 0.00 C HETATM 141 C ABA A 11 4.788 1.361 -0.725 1.00 0.00 C HETATM 142 O ABA A 11 4.751 1.755 -1.889 1.00 0.00 O HETATM 143 CB ABA A 11 4.580 -0.958 -1.640 1.00 0.00 C HETATM 144 CG ABA A 11 4.817 -2.442 -1.464 1.00 0.00 C HETATM 145 H ABA A 11 3.155 -0.363 0.695 1.00 0.00 H HETATM 146 HA ABA A 11 5.979 -0.313 -0.153 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.171 -0.626 -2.482 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.535 -0.815 -1.864 1.00 0.00 H HETATM 149 HG1 ABA A 11 5.829 -2.682 -1.756 1.00 0.00 H HETATM 150 HG3 ABA A 11 4.124 -2.994 -2.083 1.00 0.00 H HETATM 151 HG2 ABA A 11 4.668 -2.710 -0.429 1.00 0.00 H ATOM 152 N CYS A 12 4.693 2.177 0.321 1.00 0.00 N ATOM 153 CA CYS A 12 4.541 3.623 0.165 1.00 0.00 C ATOM 154 C CYS A 12 5.663 4.216 -0.684 1.00 0.00 C ATOM 155 O CYS A 12 5.425 5.068 -1.538 1.00 0.00 O ATOM 156 CB CYS A 12 4.521 4.308 1.532 1.00 0.00 C ATOM 157 SG CYS A 12 3.158 3.786 2.615 1.00 0.00 S ATOM 158 H CYS A 12 4.710 1.797 1.224 1.00 0.00 H ATOM 159 HA CYS A 12 3.598 3.805 -0.330 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.442 4.091 2.043 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.438 5.377 1.389 1.00 0.00 H HETATM 162 N NH2 A 13 6.889 3.771 -0.438 1.00 0.00 N HETATM 163 HN1 NH2 A 13 7.002 3.090 0.257 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.628 4.139 -0.965 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 18 ATOM 1 N GLY A 1 -0.076 7.802 -3.696 1.00 0.00 N ATOM 2 CA GLY A 1 -1.334 7.270 -3.206 1.00 0.00 C ATOM 3 C GLY A 1 -1.260 5.778 -2.962 1.00 0.00 C ATOM 4 O GLY A 1 -2.122 5.205 -2.297 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.059 8.678 -4.139 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.588 7.766 -2.280 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.107 7.468 -3.934 1.00 0.00 H ATOM 8 N CYS A 2 -0.203 5.162 -3.481 1.00 0.00 N ATOM 9 CA CYS A 2 0.011 3.722 -3.338 1.00 0.00 C ATOM 10 C CYS A 2 0.167 3.357 -1.865 1.00 0.00 C ATOM 11 O CYS A 2 -0.159 2.253 -1.444 1.00 0.00 O ATOM 12 CB CYS A 2 1.261 3.299 -4.125 1.00 0.00 C ATOM 13 SG CYS A 2 1.199 1.607 -4.809 1.00 0.00 S ATOM 14 H CYS A 2 0.453 5.694 -3.979 1.00 0.00 H ATOM 15 HA CYS A 2 -0.850 3.214 -3.736 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.400 3.978 -4.952 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.120 3.358 -3.473 1.00 0.00 H ATOM 18 N CYS A 3 0.621 4.330 -1.092 1.00 0.00 N ATOM 19 CA CYS A 3 0.851 4.171 0.343 1.00 0.00 C ATOM 20 C CYS A 3 -0.407 3.719 1.090 1.00 0.00 C ATOM 21 O CYS A 3 -0.317 3.078 2.132 1.00 0.00 O ATOM 22 CB CYS A 3 1.340 5.500 0.926 1.00 0.00 C ATOM 23 SG CYS A 3 1.818 5.431 2.682 1.00 0.00 S ATOM 24 H CYS A 3 0.809 5.195 -1.503 1.00 0.00 H ATOM 25 HA CYS A 3 1.627 3.430 0.479 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.202 5.833 0.367 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.553 6.234 0.828 1.00 0.00 H ATOM 28 N SER A 4 -1.582 4.029 0.553 1.00 0.00 N ATOM 29 CA SER A 4 -2.821 3.666 1.226 1.00 0.00 C ATOM 30 C SER A 4 -3.572 2.554 0.494 1.00 0.00 C ATOM 31 O SER A 4 -4.734 2.278 0.797 1.00 0.00 O ATOM 32 CB SER A 4 -3.709 4.905 1.385 1.00 0.00 C ATOM 33 OG SER A 4 -4.820 4.645 2.225 1.00 0.00 O ATOM 34 H SER A 4 -1.618 4.493 -0.309 1.00 0.00 H ATOM 35 HA SER A 4 -2.553 3.300 2.208 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.130 5.707 1.816 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.072 5.209 0.414 1.00 0.00 H ATOM 38 HG SER A 4 -5.178 3.773 2.017 1.00 0.00 H ATOM 39 N ASP A 5 -2.916 1.919 -0.462 1.00 0.00 N ATOM 40 CA ASP A 5 -3.535 0.826 -1.204 1.00 0.00 C ATOM 41 C ASP A 5 -3.501 -0.430 -0.335 1.00 0.00 C ATOM 42 O ASP A 5 -2.486 -0.719 0.282 1.00 0.00 O ATOM 43 CB ASP A 5 -2.790 0.602 -2.524 1.00 0.00 C ATOM 44 CG ASP A 5 -3.329 -0.562 -3.332 1.00 0.00 C ATOM 45 OD1 ASP A 5 -2.958 -1.717 -3.042 1.00 0.00 O ATOM 46 OD2 ASP A 5 -4.097 -0.328 -4.283 1.00 0.00 O ATOM 47 H ASP A 5 -1.991 2.176 -0.665 1.00 0.00 H ATOM 48 HA ASP A 5 -4.563 1.092 -1.407 1.00 0.00 H ATOM 49 HB2 ASP A 5 -2.868 1.494 -3.126 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.748 0.413 -2.310 1.00 0.00 H ATOM 51 N PRO A 6 -4.601 -1.195 -0.267 1.00 0.00 N ATOM 52 CA PRO A 6 -4.678 -2.409 0.568 1.00 0.00 C ATOM 53 C PRO A 6 -3.623 -3.464 0.226 1.00 0.00 C ATOM 54 O PRO A 6 -3.415 -4.415 0.976 1.00 0.00 O ATOM 55 CB PRO A 6 -6.082 -2.954 0.283 1.00 0.00 C ATOM 56 CG PRO A 6 -6.851 -1.790 -0.239 1.00 0.00 C ATOM 57 CD PRO A 6 -5.861 -0.942 -0.984 1.00 0.00 C ATOM 58 HA PRO A 6 -4.594 -2.163 1.612 1.00 0.00 H ATOM 59 HB2 PRO A 6 -6.021 -3.746 -0.449 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.515 -3.334 1.196 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.629 -2.132 -0.906 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.277 -1.234 0.582 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.789 -1.261 -2.014 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.135 0.101 -0.927 1.00 0.00 H ATOM 65 N ARG A 7 -2.964 -3.286 -0.902 1.00 0.00 N ATOM 66 CA ARG A 7 -1.940 -4.207 -1.361 1.00 0.00 C ATOM 67 C ARG A 7 -0.595 -3.492 -1.492 1.00 0.00 C ATOM 68 O ARG A 7 0.458 -4.115 -1.633 1.00 0.00 O ATOM 69 CB ARG A 7 -2.399 -4.796 -2.701 1.00 0.00 C ATOM 70 CG ARG A 7 -1.285 -5.147 -3.673 1.00 0.00 C ATOM 71 CD ARG A 7 -1.653 -4.749 -5.095 1.00 0.00 C ATOM 72 NE ARG A 7 -2.183 -3.381 -5.172 1.00 0.00 N ATOM 73 CZ ARG A 7 -2.113 -2.612 -6.260 1.00 0.00 C ATOM 74 NH1 ARG A 7 -1.464 -3.040 -7.339 1.00 0.00 N ATOM 75 NH2 ARG A 7 -2.682 -1.411 -6.265 1.00 0.00 N ATOM 76 H ARG A 7 -3.181 -2.502 -1.460 1.00 0.00 H ATOM 77 HA ARG A 7 -1.849 -4.996 -0.635 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.960 -5.690 -2.502 1.00 0.00 H ATOM 79 HB3 ARG A 7 -3.050 -4.081 -3.183 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.386 -4.623 -3.383 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.112 -6.212 -3.639 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.771 -4.816 -5.713 1.00 0.00 H ATOM 83 HD3 ARG A 7 -2.403 -5.434 -5.462 1.00 0.00 H ATOM 84 HE ARG A 7 -2.637 -3.020 -4.365 1.00 0.00 H ATOM 85 HH11 ARG A 7 -1.027 -3.940 -7.337 1.00 0.00 H ATOM 86 HH12 ARG A 7 -1.411 -2.466 -8.156 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.177 -1.076 -5.440 1.00 0.00 H ATOM 88 HH22 ARG A 7 -2.632 -0.830 -7.076 1.00 0.00 H ATOM 89 N CYS A 8 -0.642 -2.183 -1.387 1.00 0.00 N ATOM 90 CA CYS A 8 0.553 -1.355 -1.532 1.00 0.00 C ATOM 91 C CYS A 8 0.814 -0.517 -0.282 1.00 0.00 C ATOM 92 O CYS A 8 1.675 0.360 -0.273 1.00 0.00 O ATOM 93 CB CYS A 8 0.385 -0.462 -2.766 1.00 0.00 C ATOM 94 SG CYS A 8 1.883 0.422 -3.308 1.00 0.00 S ATOM 95 H CYS A 8 -1.510 -1.758 -1.203 1.00 0.00 H ATOM 96 HA CYS A 8 1.390 -2.014 -1.684 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.057 -1.073 -3.593 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.373 0.278 -2.557 1.00 0.00 H ATOM 99 N LEU A 9 0.086 -0.827 0.779 1.00 0.00 N ATOM 100 CA LEU A 9 0.202 -0.130 2.059 1.00 0.00 C ATOM 101 C LEU A 9 1.640 -0.139 2.580 1.00 0.00 C ATOM 102 O LEU A 9 2.107 0.826 3.173 1.00 0.00 O ATOM 103 CB LEU A 9 -0.712 -0.816 3.072 1.00 0.00 C ATOM 104 CG LEU A 9 -2.012 -0.074 3.393 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.023 -1.019 4.021 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.741 1.104 4.318 1.00 0.00 C ATOM 107 H LEU A 9 -0.579 -1.542 0.695 1.00 0.00 H ATOM 108 HA LEU A 9 -0.128 0.893 1.923 1.00 0.00 H ATOM 109 HB2 LEU A 9 -0.967 -1.791 2.676 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.161 -0.950 3.989 1.00 0.00 H ATOM 111 HG LEU A 9 -2.437 0.310 2.476 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.252 -1.814 3.327 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.926 -0.476 4.257 1.00 0.00 H ATOM 114 HD13 LEU A 9 -2.609 -1.439 4.926 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.058 1.789 3.839 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.306 0.746 5.239 1.00 0.00 H ATOM 117 HD23 LEU A 9 -2.669 1.613 4.534 1.00 0.00 H ATOM 118 N TYR A 10 2.335 -1.241 2.347 1.00 0.00 N ATOM 119 CA TYR A 10 3.715 -1.393 2.795 1.00 0.00 C ATOM 120 C TYR A 10 4.698 -0.913 1.736 1.00 0.00 C ATOM 121 O TYR A 10 5.912 -0.982 1.912 1.00 0.00 O ATOM 122 CB TYR A 10 3.985 -2.855 3.149 1.00 0.00 C ATOM 123 CG TYR A 10 3.547 -3.842 2.086 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.231 -4.290 2.027 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.444 -4.327 1.143 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.824 -5.189 1.062 1.00 0.00 C ATOM 127 CE2 TYR A 10 4.045 -5.228 0.174 1.00 0.00 C ATOM 128 CZ TYR A 10 2.735 -5.654 0.138 1.00 0.00 C ATOM 129 OH TYR A 10 2.331 -6.546 -0.827 1.00 0.00 O ATOM 130 H TYR A 10 1.909 -1.974 1.860 1.00 0.00 H ATOM 131 HA TYR A 10 3.840 -0.791 3.683 1.00 0.00 H ATOM 132 HB2 TYR A 10 5.042 -2.992 3.314 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.452 -3.087 4.050 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.519 -3.923 2.753 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.470 -3.992 1.175 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.798 -5.523 1.035 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.758 -5.593 -0.549 1.00 0.00 H ATOM 138 HH TYR A 10 1.551 -6.203 -1.272 1.00 0.00 H HETATM 139 N ABA A 11 4.159 -0.425 0.640 1.00 0.00 N HETATM 140 CA ABA A 11 4.971 0.069 -0.466 1.00 0.00 C HETATM 141 C ABA A 11 4.743 1.560 -0.682 1.00 0.00 C HETATM 142 O ABA A 11 4.601 2.019 -1.813 1.00 0.00 O HETATM 143 CB ABA A 11 4.658 -0.698 -1.754 1.00 0.00 C HETATM 144 CG ABA A 11 5.034 -2.161 -1.700 1.00 0.00 C HETATM 145 H ABA A 11 3.180 -0.382 0.576 1.00 0.00 H HETATM 146 HA ABA A 11 6.008 -0.089 -0.208 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.198 -0.246 -2.574 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.598 -0.637 -1.952 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.625 -2.605 -0.804 1.00 0.00 H HETATM 150 HG3 ABA A 11 6.110 -2.256 -1.690 1.00 0.00 H HETATM 151 HG2 ABA A 11 4.636 -2.668 -2.567 1.00 0.00 H ATOM 152 N CYS A 12 4.705 2.310 0.415 1.00 0.00 N ATOM 153 CA CYS A 12 4.501 3.755 0.355 1.00 0.00 C ATOM 154 C CYS A 12 5.586 4.434 -0.478 1.00 0.00 C ATOM 155 O CYS A 12 5.304 5.332 -1.270 1.00 0.00 O ATOM 156 CB CYS A 12 4.488 4.348 1.764 1.00 0.00 C ATOM 157 SG CYS A 12 3.068 3.837 2.778 1.00 0.00 S ATOM 158 H CYS A 12 4.802 1.879 1.290 1.00 0.00 H ATOM 159 HA CYS A 12 3.543 3.934 -0.109 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.381 4.041 2.279 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.471 5.426 1.691 1.00 0.00 H HETATM 162 N NH2 A 13 6.829 4.007 -0.293 1.00 0.00 N HETATM 163 HN1 NH2 A 13 6.978 3.288 0.354 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.543 4.427 -0.814 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 19 ATOM 1 N GLY A 1 -0.237 7.791 -3.748 1.00 0.00 N ATOM 2 CA GLY A 1 -1.463 7.227 -3.214 1.00 0.00 C ATOM 3 C GLY A 1 -1.338 5.740 -2.961 1.00 0.00 C ATOM 4 O GLY A 1 -2.171 5.145 -2.279 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.257 8.667 -4.190 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.702 7.723 -2.285 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.263 7.396 -3.920 1.00 0.00 H ATOM 8 N CYS A 2 -0.272 5.154 -3.495 1.00 0.00 N ATOM 9 CA CYS A 2 -0.010 3.722 -3.346 1.00 0.00 C ATOM 10 C CYS A 2 0.157 3.369 -1.872 1.00 0.00 C ATOM 11 O CYS A 2 -0.169 2.269 -1.440 1.00 0.00 O ATOM 12 CB CYS A 2 1.254 3.339 -4.129 1.00 0.00 C ATOM 13 SG CYS A 2 1.252 1.644 -4.805 1.00 0.00 S ATOM 14 H CYS A 2 0.359 5.702 -4.010 1.00 0.00 H ATOM 15 HA CYS A 2 -0.853 3.186 -3.742 1.00 0.00 H ATOM 16 HB2 CYS A 2 1.371 4.019 -4.960 1.00 0.00 H ATOM 17 HB3 CYS A 2 2.110 3.431 -3.477 1.00 0.00 H ATOM 18 N CYS A 3 0.619 4.348 -1.110 1.00 0.00 N ATOM 19 CA CYS A 3 0.860 4.199 0.325 1.00 0.00 C ATOM 20 C CYS A 3 -0.392 3.751 1.087 1.00 0.00 C ATOM 21 O CYS A 3 -0.289 3.128 2.139 1.00 0.00 O ATOM 22 CB CYS A 3 1.357 5.532 0.893 1.00 0.00 C ATOM 23 SG CYS A 3 1.869 5.470 2.641 1.00 0.00 S ATOM 24 H CYS A 3 0.801 5.209 -1.528 1.00 0.00 H ATOM 25 HA CYS A 3 1.636 3.457 0.459 1.00 0.00 H ATOM 26 HB2 CYS A 3 2.208 5.864 0.318 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.568 6.265 0.810 1.00 0.00 H ATOM 28 N SER A 4 -1.574 4.044 0.554 1.00 0.00 N ATOM 29 CA SER A 4 -2.805 3.681 1.243 1.00 0.00 C ATOM 30 C SER A 4 -3.562 2.564 0.526 1.00 0.00 C ATOM 31 O SER A 4 -4.703 2.255 0.876 1.00 0.00 O ATOM 32 CB SER A 4 -3.699 4.918 1.399 1.00 0.00 C ATOM 33 OG SER A 4 -4.802 4.658 2.249 1.00 0.00 O ATOM 34 H SER A 4 -1.619 4.495 -0.314 1.00 0.00 H ATOM 35 HA SER A 4 -2.528 3.326 2.225 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.119 5.725 1.823 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.069 5.214 0.428 1.00 0.00 H ATOM 38 HG SER A 4 -5.143 3.773 2.064 1.00 0.00 H ATOM 39 N ASP A 5 -2.935 1.956 -0.468 1.00 0.00 N ATOM 40 CA ASP A 5 -3.565 0.862 -1.198 1.00 0.00 C ATOM 41 C ASP A 5 -3.496 -0.401 -0.343 1.00 0.00 C ATOM 42 O ASP A 5 -2.458 -0.695 0.230 1.00 0.00 O ATOM 43 CB ASP A 5 -2.864 0.651 -2.545 1.00 0.00 C ATOM 44 CG ASP A 5 -3.393 -0.548 -3.308 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.356 -0.393 -4.081 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.834 -1.652 -3.150 1.00 0.00 O ATOM 47 H ASP A 5 -2.024 2.234 -0.706 1.00 0.00 H ATOM 48 HA ASP A 5 -4.601 1.120 -1.367 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.003 1.529 -3.156 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.808 0.505 -2.372 1.00 0.00 H ATOM 51 N PRO A 6 -4.592 -1.168 -0.241 1.00 0.00 N ATOM 52 CA PRO A 6 -4.641 -2.389 0.586 1.00 0.00 C ATOM 53 C PRO A 6 -3.606 -3.449 0.197 1.00 0.00 C ATOM 54 O PRO A 6 -3.409 -4.431 0.909 1.00 0.00 O ATOM 55 CB PRO A 6 -6.062 -2.924 0.362 1.00 0.00 C ATOM 56 CG PRO A 6 -6.540 -2.258 -0.884 1.00 0.00 C ATOM 57 CD PRO A 6 -5.874 -0.914 -0.916 1.00 0.00 C ATOM 58 HA PRO A 6 -4.511 -2.150 1.629 1.00 0.00 H ATOM 59 HB2 PRO A 6 -6.030 -3.998 0.248 1.00 0.00 H ATOM 60 HB3 PRO A 6 -6.681 -2.667 1.208 1.00 0.00 H ATOM 61 HG2 PRO A 6 -6.251 -2.841 -1.747 1.00 0.00 H ATOM 62 HG3 PRO A 6 -7.614 -2.144 -0.850 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.718 -0.592 -1.935 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.459 -0.188 -0.373 1.00 0.00 H ATOM 65 N ARG A 7 -2.947 -3.239 -0.926 1.00 0.00 N ATOM 66 CA ARG A 7 -1.939 -4.157 -1.424 1.00 0.00 C ATOM 67 C ARG A 7 -0.586 -3.457 -1.543 1.00 0.00 C ATOM 68 O ARG A 7 0.460 -4.091 -1.694 1.00 0.00 O ATOM 69 CB ARG A 7 -2.420 -4.698 -2.777 1.00 0.00 C ATOM 70 CG ARG A 7 -1.325 -5.014 -3.782 1.00 0.00 C ATOM 71 CD ARG A 7 -1.763 -4.650 -5.193 1.00 0.00 C ATOM 72 NE ARG A 7 -2.548 -3.410 -5.228 1.00 0.00 N ATOM 73 CZ ARG A 7 -3.196 -2.961 -6.304 1.00 0.00 C ATOM 74 NH1 ARG A 7 -3.121 -3.625 -7.454 1.00 0.00 N ATOM 75 NH2 ARG A 7 -3.914 -1.848 -6.231 1.00 0.00 N ATOM 76 H ARG A 7 -3.152 -2.431 -1.452 1.00 0.00 H ATOM 77 HA ARG A 7 -1.853 -4.970 -0.725 1.00 0.00 H ATOM 78 HB2 ARG A 7 -2.978 -5.599 -2.600 1.00 0.00 H ATOM 79 HB3 ARG A 7 -3.079 -3.966 -3.220 1.00 0.00 H ATOM 80 HG2 ARG A 7 -0.441 -4.447 -3.529 1.00 0.00 H ATOM 81 HG3 ARG A 7 -1.104 -6.070 -3.742 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.883 -4.523 -5.807 1.00 0.00 H ATOM 83 HD3 ARG A 7 -2.363 -5.456 -5.589 1.00 0.00 H ATOM 84 HE ARG A 7 -2.608 -2.882 -4.386 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.581 -4.464 -7.515 1.00 0.00 H ATOM 86 HH12 ARG A 7 -3.607 -3.289 -8.262 1.00 0.00 H ATOM 87 HH21 ARG A 7 -3.977 -1.335 -5.351 1.00 0.00 H ATOM 88 HH22 ARG A 7 -4.399 -1.503 -7.032 1.00 0.00 H ATOM 89 N CYS A 8 -0.619 -2.149 -1.412 1.00 0.00 N ATOM 90 CA CYS A 8 0.580 -1.328 -1.543 1.00 0.00 C ATOM 91 C CYS A 8 0.836 -0.498 -0.285 1.00 0.00 C ATOM 92 O CYS A 8 1.700 0.375 -0.264 1.00 0.00 O ATOM 93 CB CYS A 8 0.425 -0.427 -2.774 1.00 0.00 C ATOM 94 SG CYS A 8 1.920 0.482 -3.280 1.00 0.00 S ATOM 95 H CYS A 8 -1.482 -1.720 -1.220 1.00 0.00 H ATOM 96 HA CYS A 8 1.416 -1.989 -1.692 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.120 -1.036 -3.612 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.349 0.302 -2.574 1.00 0.00 H ATOM 99 N LEU A 9 0.097 -0.808 0.767 1.00 0.00 N ATOM 100 CA LEU A 9 0.206 -0.118 2.052 1.00 0.00 C ATOM 101 C LEU A 9 1.641 -0.131 2.580 1.00 0.00 C ATOM 102 O LEU A 9 2.117 0.842 3.153 1.00 0.00 O ATOM 103 CB LEU A 9 -0.713 -0.809 3.056 1.00 0.00 C ATOM 104 CG LEU A 9 -2.049 -0.110 3.315 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.029 -1.063 3.980 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.848 1.129 4.174 1.00 0.00 C ATOM 107 H LEU A 9 -0.573 -1.517 0.674 1.00 0.00 H ATOM 108 HA LEU A 9 -0.123 0.906 1.921 1.00 0.00 H ATOM 109 HB2 LEU A 9 -0.917 -1.805 2.683 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.188 -0.895 3.995 1.00 0.00 H ATOM 111 HG LEU A 9 -2.475 0.202 2.371 1.00 0.00 H ATOM 112 HD11 LEU A 9 -2.614 -1.410 4.915 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.209 -1.906 3.330 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.960 -0.548 4.168 1.00 0.00 H ATOM 115 HD21 LEU A 9 -1.186 1.816 3.666 1.00 0.00 H ATOM 116 HD22 LEU A 9 -1.411 0.844 5.120 1.00 0.00 H ATOM 117 HD23 LEU A 9 -2.801 1.607 4.347 1.00 0.00 H ATOM 118 N TYR A 10 2.325 -1.246 2.374 1.00 0.00 N ATOM 119 CA TYR A 10 3.701 -1.405 2.832 1.00 0.00 C ATOM 120 C TYR A 10 4.693 -0.958 1.766 1.00 0.00 C ATOM 121 O TYR A 10 5.905 -1.058 1.939 1.00 0.00 O ATOM 122 CB TYR A 10 3.953 -2.861 3.215 1.00 0.00 C ATOM 123 CG TYR A 10 3.551 -3.864 2.152 1.00 0.00 C ATOM 124 CD1 TYR A 10 2.230 -4.286 2.034 1.00 0.00 C ATOM 125 CD2 TYR A 10 4.486 -4.389 1.270 1.00 0.00 C ATOM 126 CE1 TYR A 10 1.855 -5.198 1.069 1.00 0.00 C ATOM 127 CE2 TYR A 10 4.118 -5.303 0.301 1.00 0.00 C ATOM 128 CZ TYR A 10 2.802 -5.704 0.204 1.00 0.00 C ATOM 129 OH TYR A 10 2.432 -6.610 -0.760 1.00 0.00 O ATOM 130 H TYR A 10 1.892 -1.986 1.903 1.00 0.00 H ATOM 131 HA TYR A 10 3.831 -0.786 3.706 1.00 0.00 H ATOM 132 HB2 TYR A 10 5.004 -2.999 3.421 1.00 0.00 H ATOM 133 HB3 TYR A 10 3.387 -3.078 4.101 1.00 0.00 H ATOM 134 HD1 TYR A 10 1.490 -3.888 2.713 1.00 0.00 H ATOM 135 HD2 TYR A 10 5.516 -4.074 1.347 1.00 0.00 H ATOM 136 HE1 TYR A 10 0.825 -5.511 0.996 1.00 0.00 H ATOM 137 HE2 TYR A 10 4.860 -5.700 -0.377 1.00 0.00 H ATOM 138 HH TYR A 10 1.656 -6.282 -1.225 1.00 0.00 H HETATM 139 N ABA A 11 4.163 -0.464 0.667 1.00 0.00 N HETATM 140 CA ABA A 11 4.987 -0.001 -0.443 1.00 0.00 C HETATM 141 C ABA A 11 4.807 1.498 -0.662 1.00 0.00 C HETATM 142 O ABA A 11 4.732 1.963 -1.797 1.00 0.00 O HETATM 143 CB ABA A 11 4.642 -0.759 -1.729 1.00 0.00 C HETATM 144 CG ABA A 11 4.925 -2.245 -1.655 1.00 0.00 C HETATM 145 H ABA A 11 3.186 -0.396 0.605 1.00 0.00 H HETATM 146 HA ABA A 11 6.019 -0.191 -0.190 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.220 -0.352 -2.545 1.00 0.00 H HETATM 148 HB2 ABA A 11 3.591 -0.634 -1.941 1.00 0.00 H HETATM 149 HG1 ABA A 11 4.178 -2.781 -2.221 1.00 0.00 H HETATM 150 HG3 ABA A 11 4.896 -2.566 -0.624 1.00 0.00 H HETATM 151 HG2 ABA A 11 5.902 -2.446 -2.067 1.00 0.00 H ATOM 152 N CYS A 12 4.735 2.244 0.435 1.00 0.00 N ATOM 153 CA CYS A 12 4.571 3.695 0.373 1.00 0.00 C ATOM 154 C CYS A 12 5.706 4.348 -0.412 1.00 0.00 C ATOM 155 O CYS A 12 5.481 5.257 -1.211 1.00 0.00 O ATOM 156 CB CYS A 12 4.519 4.284 1.783 1.00 0.00 C ATOM 157 SG CYS A 12 3.043 3.817 2.737 1.00 0.00 S ATOM 158 H CYS A 12 4.778 1.808 1.311 1.00 0.00 H ATOM 159 HA CYS A 12 3.638 3.902 -0.128 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.379 3.947 2.333 1.00 0.00 H ATOM 161 HB3 CYS A 12 4.539 5.363 1.714 1.00 0.00 H HETATM 162 N NH2 A 13 6.928 3.888 -0.178 1.00 0.00 N HETATM 163 HN1 NH2 A 13 7.033 3.162 0.470 1.00 0.00 H HETATM 164 HN2 NH2 A 13 7.675 4.293 -0.665 1.00 0.00 H TER 165 NH2 A 13 ENDMDL MODEL 20 ATOM 1 N GLY A 1 -0.541 8.439 -3.428 1.00 0.00 N ATOM 2 CA GLY A 1 -1.762 7.831 -2.929 1.00 0.00 C ATOM 3 C GLY A 1 -1.645 6.326 -2.837 1.00 0.00 C ATOM 4 O GLY A 1 -2.493 5.660 -2.244 1.00 0.00 O ATOM 5 H1 GLY A 1 -0.570 9.345 -3.804 1.00 0.00 H ATOM 6 HA2 GLY A 1 -1.977 8.228 -1.949 1.00 0.00 H ATOM 7 HA3 GLY A 1 -2.575 8.080 -3.596 1.00 0.00 H ATOM 8 N CYS A 2 -0.572 5.795 -3.410 1.00 0.00 N ATOM 9 CA CYS A 2 -0.322 4.356 -3.407 1.00 0.00 C ATOM 10 C CYS A 2 -0.122 3.848 -1.985 1.00 0.00 C ATOM 11 O CYS A 2 -0.455 2.714 -1.667 1.00 0.00 O ATOM 12 CB CYS A 2 0.918 4.032 -4.252 1.00 0.00 C ATOM 13 SG CYS A 2 1.035 2.298 -4.810 1.00 0.00 S ATOM 14 H CYS A 2 0.068 6.390 -3.854 1.00 0.00 H ATOM 15 HA CYS A 2 -1.179 3.868 -3.833 1.00 0.00 H ATOM 16 HB2 CYS A 2 0.913 4.656 -5.133 1.00 0.00 H ATOM 17 HB3 CYS A 2 1.803 4.250 -3.672 1.00 0.00 H ATOM 18 N CYS A 3 0.353 4.734 -1.124 1.00 0.00 N ATOM 19 CA CYS A 3 0.640 4.403 0.273 1.00 0.00 C ATOM 20 C CYS A 3 -0.621 4.034 1.065 1.00 0.00 C ATOM 21 O CYS A 3 -0.549 3.783 2.264 1.00 0.00 O ATOM 22 CB CYS A 3 1.347 5.588 0.939 1.00 0.00 C ATOM 23 SG CYS A 3 2.512 5.135 2.266 1.00 0.00 S ATOM 24 H CYS A 3 0.509 5.645 -1.435 1.00 0.00 H ATOM 25 HA CYS A 3 1.310 3.556 0.278 1.00 0.00 H ATOM 26 HB2 CYS A 3 1.903 6.129 0.189 1.00 0.00 H ATOM 27 HB3 CYS A 3 0.602 6.244 1.366 1.00 0.00 H ATOM 28 N SER A 4 -1.775 4.000 0.409 1.00 0.00 N ATOM 29 CA SER A 4 -3.008 3.653 1.092 1.00 0.00 C ATOM 30 C SER A 4 -3.689 2.452 0.436 1.00 0.00 C ATOM 31 O SER A 4 -4.769 2.035 0.858 1.00 0.00 O ATOM 32 CB SER A 4 -3.953 4.859 1.123 1.00 0.00 C ATOM 33 OG SER A 4 -5.047 4.637 1.996 1.00 0.00 O ATOM 34 H SER A 4 -1.794 4.210 -0.547 1.00 0.00 H ATOM 35 HA SER A 4 -2.745 3.384 2.107 1.00 0.00 H ATOM 36 HB2 SER A 4 -3.412 5.729 1.463 1.00 0.00 H ATOM 37 HB3 SER A 4 -4.334 5.039 0.129 1.00 0.00 H ATOM 38 HG SER A 4 -5.338 3.721 1.916 1.00 0.00 H ATOM 39 N ASP A 5 -3.059 1.899 -0.592 1.00 0.00 N ATOM 40 CA ASP A 5 -3.603 0.734 -1.284 1.00 0.00 C ATOM 41 C ASP A 5 -3.325 -0.507 -0.439 1.00 0.00 C ATOM 42 O ASP A 5 -2.260 -0.621 0.144 1.00 0.00 O ATOM 43 CB ASP A 5 -2.973 0.604 -2.677 1.00 0.00 C ATOM 44 CG ASP A 5 -3.193 -0.757 -3.309 1.00 0.00 C ATOM 45 OD1 ASP A 5 -4.230 -0.958 -3.970 1.00 0.00 O ATOM 46 OD2 ASP A 5 -2.319 -1.636 -3.148 1.00 0.00 O ATOM 47 H ASP A 5 -2.197 2.268 -0.882 1.00 0.00 H ATOM 48 HA ASP A 5 -4.670 0.865 -1.380 1.00 0.00 H ATOM 49 HB2 ASP A 5 -3.402 1.351 -3.328 1.00 0.00 H ATOM 50 HB3 ASP A 5 -1.909 0.776 -2.599 1.00 0.00 H ATOM 51 N PRO A 6 -4.277 -1.448 -0.349 1.00 0.00 N ATOM 52 CA PRO A 6 -4.125 -2.666 0.469 1.00 0.00 C ATOM 53 C PRO A 6 -2.851 -3.469 0.199 1.00 0.00 C ATOM 54 O PRO A 6 -2.411 -4.246 1.046 1.00 0.00 O ATOM 55 CB PRO A 6 -5.362 -3.492 0.107 1.00 0.00 C ATOM 56 CG PRO A 6 -6.368 -2.491 -0.343 1.00 0.00 C ATOM 57 CD PRO A 6 -5.590 -1.396 -1.019 1.00 0.00 C ATOM 58 HA PRO A 6 -4.155 -2.424 1.513 1.00 0.00 H ATOM 59 HB2 PRO A 6 -5.115 -4.187 -0.682 1.00 0.00 H ATOM 60 HB3 PRO A 6 -5.705 -4.032 0.977 1.00 0.00 H ATOM 61 HG2 PRO A 6 -7.056 -2.948 -1.039 1.00 0.00 H ATOM 62 HG3 PRO A 6 -6.902 -2.098 0.511 1.00 0.00 H ATOM 63 HD2 PRO A 6 -5.492 -1.602 -2.075 1.00 0.00 H ATOM 64 HD3 PRO A 6 -6.066 -0.441 -0.861 1.00 0.00 H ATOM 65 N ARG A 7 -2.259 -3.278 -0.962 1.00 0.00 N ATOM 66 CA ARG A 7 -1.044 -3.990 -1.333 1.00 0.00 C ATOM 67 C ARG A 7 0.141 -3.028 -1.413 1.00 0.00 C ATOM 68 O ARG A 7 1.305 -3.433 -1.435 1.00 0.00 O ATOM 69 CB ARG A 7 -1.290 -4.711 -2.667 1.00 0.00 C ATOM 70 CG ARG A 7 -0.068 -4.871 -3.557 1.00 0.00 C ATOM 71 CD ARG A 7 -0.156 -3.964 -4.776 1.00 0.00 C ATOM 72 NE ARG A 7 -1.055 -4.500 -5.804 1.00 0.00 N ATOM 73 CZ ARG A 7 -2.260 -3.994 -6.088 1.00 0.00 C ATOM 74 NH1 ARG A 7 -2.748 -2.981 -5.386 1.00 0.00 N ATOM 75 NH2 ARG A 7 -2.987 -4.520 -7.069 1.00 0.00 N ATOM 76 H ARG A 7 -2.649 -2.633 -1.597 1.00 0.00 H ATOM 77 HA ARG A 7 -0.845 -4.720 -0.568 1.00 0.00 H ATOM 78 HB2 ARG A 7 -1.675 -5.691 -2.454 1.00 0.00 H ATOM 79 HB3 ARG A 7 -2.036 -4.160 -3.221 1.00 0.00 H ATOM 80 HG2 ARG A 7 0.815 -4.615 -2.991 1.00 0.00 H ATOM 81 HG3 ARG A 7 -0.004 -5.898 -3.886 1.00 0.00 H ATOM 82 HD2 ARG A 7 -0.522 -2.997 -4.462 1.00 0.00 H ATOM 83 HD3 ARG A 7 0.832 -3.853 -5.198 1.00 0.00 H ATOM 84 HE ARG A 7 -0.732 -5.270 -6.317 1.00 0.00 H ATOM 85 HH11 ARG A 7 -2.216 -2.581 -4.622 1.00 0.00 H ATOM 86 HH12 ARG A 7 -3.650 -2.598 -5.597 1.00 0.00 H ATOM 87 HH21 ARG A 7 -2.636 -5.295 -7.597 1.00 0.00 H ATOM 88 HH22 ARG A 7 -3.890 -4.142 -7.285 1.00 0.00 H ATOM 89 N CYS A 8 -0.170 -1.755 -1.391 1.00 0.00 N ATOM 90 CA CYS A 8 0.845 -0.711 -1.497 1.00 0.00 C ATOM 91 C CYS A 8 0.913 0.123 -0.220 1.00 0.00 C ATOM 92 O CYS A 8 1.565 1.161 -0.164 1.00 0.00 O ATOM 93 CB CYS A 8 0.537 0.160 -2.724 1.00 0.00 C ATOM 94 SG CYS A 8 1.862 1.304 -3.239 1.00 0.00 S ATOM 95 H CYS A 8 -1.118 -1.505 -1.294 1.00 0.00 H ATOM 96 HA CYS A 8 1.793 -1.194 -1.635 1.00 0.00 H ATOM 97 HB2 CYS A 8 0.328 -0.486 -3.562 1.00 0.00 H ATOM 98 HB3 CYS A 8 -0.342 0.753 -2.514 1.00 0.00 H ATOM 99 N LEU A 9 0.247 -0.366 0.809 1.00 0.00 N ATOM 100 CA LEU A 9 0.209 0.294 2.106 1.00 0.00 C ATOM 101 C LEU A 9 1.518 0.063 2.852 1.00 0.00 C ATOM 102 O LEU A 9 2.073 0.968 3.466 1.00 0.00 O ATOM 103 CB LEU A 9 -0.951 -0.278 2.912 1.00 0.00 C ATOM 104 CG LEU A 9 -1.976 0.744 3.409 1.00 0.00 C ATOM 105 CD1 LEU A 9 -3.265 0.046 3.815 1.00 0.00 C ATOM 106 CD2 LEU A 9 -1.414 1.542 4.577 1.00 0.00 C ATOM 107 H LEU A 9 -0.265 -1.193 0.687 1.00 0.00 H ATOM 108 HA LEU A 9 0.051 1.356 1.953 1.00 0.00 H ATOM 109 HB2 LEU A 9 -1.461 -0.996 2.284 1.00 0.00 H ATOM 110 HB3 LEU A 9 -0.545 -0.796 3.766 1.00 0.00 H ATOM 111 HG LEU A 9 -2.206 1.434 2.609 1.00 0.00 H ATOM 112 HD11 LEU A 9 -3.058 -0.656 4.608 1.00 0.00 H ATOM 113 HD12 LEU A 9 -3.673 -0.479 2.964 1.00 0.00 H ATOM 114 HD13 LEU A 9 -3.977 0.781 4.160 1.00 0.00 H ATOM 115 HD21 LEU A 9 -2.152 2.254 4.914 1.00 0.00 H ATOM 116 HD22 LEU A 9 -0.525 2.067 4.259 1.00 0.00 H ATOM 117 HD23 LEU A 9 -1.165 0.870 5.385 1.00 0.00 H ATOM 118 N TYR A 10 1.998 -1.172 2.790 1.00 0.00 N ATOM 119 CA TYR A 10 3.239 -1.552 3.451 1.00 0.00 C ATOM 120 C TYR A 10 4.424 -1.352 2.515 1.00 0.00 C ATOM 121 O TYR A 10 5.580 -1.392 2.931 1.00 0.00 O ATOM 122 CB TYR A 10 3.164 -3.010 3.919 1.00 0.00 C ATOM 123 CG TYR A 10 2.670 -3.983 2.865 1.00 0.00 C ATOM 124 CD1 TYR A 10 1.310 -4.190 2.665 1.00 0.00 C ATOM 125 CD2 TYR A 10 3.562 -4.698 2.076 1.00 0.00 C ATOM 126 CE1 TYR A 10 0.854 -5.077 1.708 1.00 0.00 C ATOM 127 CE2 TYR A 10 3.115 -5.586 1.116 1.00 0.00 C ATOM 128 CZ TYR A 10 1.761 -5.772 0.936 1.00 0.00 C ATOM 129 OH TYR A 10 1.312 -6.654 -0.019 1.00 0.00 O ATOM 130 H TYR A 10 1.498 -1.847 2.289 1.00 0.00 H ATOM 131 HA TYR A 10 3.364 -0.913 4.311 1.00 0.00 H ATOM 132 HB2 TYR A 10 4.148 -3.332 4.228 1.00 0.00 H ATOM 133 HB3 TYR A 10 2.494 -3.068 4.760 1.00 0.00 H ATOM 134 HD1 TYR A 10 0.601 -3.644 3.270 1.00 0.00 H ATOM 135 HD2 TYR A 10 4.623 -4.549 2.217 1.00 0.00 H ATOM 136 HE1 TYR A 10 -0.207 -5.222 1.567 1.00 0.00 H ATOM 137 HE2 TYR A 10 3.825 -6.131 0.513 1.00 0.00 H ATOM 138 HH TYR A 10 1.734 -7.507 0.109 1.00 0.00 H HETATM 139 N ABA A 11 4.119 -1.143 1.247 1.00 0.00 N HETATM 140 CA ABA A 11 5.138 -0.924 0.229 1.00 0.00 C HETATM 141 C ABA A 11 4.722 0.220 -0.681 1.00 0.00 C HETATM 142 O ABA A 11 4.409 0.011 -1.850 1.00 0.00 O HETATM 143 CB ABA A 11 5.373 -2.192 -0.602 1.00 0.00 C HETATM 144 CG ABA A 11 6.089 -3.293 0.148 1.00 0.00 C HETATM 145 H ABA A 11 3.176 -1.123 0.989 1.00 0.00 H HETATM 146 HA ABA A 11 6.056 -0.656 0.731 1.00 0.00 H HETATM 147 HB3 ABA A 11 5.967 -1.939 -1.468 1.00 0.00 H HETATM 148 HB2 ABA A 11 4.420 -2.581 -0.927 1.00 0.00 H HETATM 149 HG1 ABA A 11 5.958 -3.149 1.211 1.00 0.00 H HETATM 150 HG3 ABA A 11 7.142 -3.266 -0.091 1.00 0.00 H HETATM 151 HG2 ABA A 11 5.679 -4.251 -0.139 1.00 0.00 H ATOM 152 N CYS A 12 4.704 1.425 -0.126 1.00 0.00 N ATOM 153 CA CYS A 12 4.320 2.616 -0.872 1.00 0.00 C ATOM 154 C CYS A 12 5.347 2.946 -1.951 1.00 0.00 C ATOM 155 O CYS A 12 6.351 3.606 -1.689 1.00 0.00 O ATOM 156 CB CYS A 12 4.165 3.799 0.084 1.00 0.00 C ATOM 157 SG CYS A 12 3.321 3.379 1.643 1.00 0.00 S ATOM 158 H CYS A 12 4.944 1.517 0.820 1.00 0.00 H ATOM 159 HA CYS A 12 3.369 2.420 -1.344 1.00 0.00 H ATOM 160 HB2 CYS A 12 5.144 4.183 0.333 1.00 0.00 H ATOM 161 HB3 CYS A 12 3.593 4.575 -0.403 1.00 0.00 H HETATM 162 N NH2 A 13 5.092 2.484 -3.167 1.00 0.00 N HETATM 163 HN1 NH2 A 13 4.271 1.964 -3.301 1.00 0.00 H HETATM 164 HN2 NH2 A 13 5.734 2.680 -3.880 1.00 0.00 H TER 165 NH2 A 13 ENDMDL CONECT 13 94 CONECT 23 157 CONECT 94 13 CONECT 120 139 CONECT 139 120 140 145 CONECT 140 139 141 143 146 CONECT 141 140 142 152 CONECT 142 141 CONECT 143 140 144 147 148 CONECT 144 143 149 150 151 CONECT 145 139 CONECT 146 140 CONECT 147 143 CONECT 148 143 CONECT 149 144 CONECT 150 144 CONECT 151 144 CONECT 152 141 CONECT 157 23 CONECT 162 163 164 CONECT 163 162 CONECT 164 162 MASTER 106 0 2 1 0 0 0 6 87 1 22 1 END