HEADER TOXIN 21-APR-11 SMS21006 TITLE ALPHA CONOTOXIN IMI CYSTINE 2-4 TO CYSTATHIONINE REPLACEMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-CONOTOXIN IMI; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ALPHA-CTX IMI; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: CYSTATHIONINE IS PRESENT BETWEEN RESIDUES 3 AND 12 (S COMPND 7 OF CYS3 OF NATIVE SEQUENCE IS SUBSTITUTED WITH CH2) 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: SYNTHETIC PEPTIDE KEYWDS CONOTOXIN IMI, CYSTATHIONINE, THIOETHER, DISULFIDE, TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR Z.DEKAN,I.VETTER,N.DALY,R.J.LEWIS,P.F.ALEWOOD,D.J.CRAIK JRNL AUTH Z.DEKAN,I.VETTER,N.L.DALY,D.J.CRAIK,R.J.LEWIS,P.F.ALEWOOD JRNL TITL ALPHA-CONOTOXIN IMI INCORPORATING STABLE CYSTATHIONINE JRNL TITL 2 BRIDGES MAINTAINS FULL POTENCY AND IDENTICAL JRNL TITL 3 THREE-DIMENSIONAL STRUCTURE JRNL REF J.AM.CHEM.SOC. 2011 JRNL REFN ESSN 1520-5126 JRNL PMID 21899353 JRNL DOI 10.1021/JA206408Q REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNSSOLVE REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 05-JUL-11. REMARK 100 THE BMRB ID CODE IS SMS21006. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 280 REMARK 210 PH : 3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1 MM ALPHA CONOTOXIN IMI REMARK 210 CYSTATHIONINE 2-4, 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D DQF-COSY; 2D REMARK 210 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN, SPARKY, CYANA, CNSSOLVE REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : 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 OD2 ASP A 5 HH21 ARG A 7 1.58 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 SER A 4 35.13 -89.72 REMARK 500 1 CYS A 8 18.10 -159.40 REMARK 500 1 ARG A 11 52.88 -94.96 REMARK 500 2 SER A 4 42.48 -90.42 REMARK 500 2 CYS A 8 6.63 -155.49 REMARK 500 3 SER A 4 35.66 -90.47 REMARK 500 3 CYS A 8 14.07 -158.61 REMARK 500 3 ARG A 11 45.03 -95.12 REMARK 500 4 SER A 4 38.49 -90.29 REMARK 500 4 CYS A 8 4.00 -154.97 REMARK 500 5 SER A 4 39.39 -88.37 REMARK 500 5 CYS A 8 11.30 -156.81 REMARK 500 6 SER A 4 40.64 -90.33 REMARK 500 6 CYS A 8 6.45 -157.15 REMARK 500 8 CYS A 8 -2.14 -154.59 REMARK 500 9 SER A 4 37.58 -90.76 REMARK 500 9 CYS A 8 17.02 -158.08 REMARK 500 9 ARG A 11 47.29 -92.60 REMARK 500 10 SER A 4 43.43 -90.27 REMARK 500 10 CYS A 8 5.30 -156.44 REMARK 500 11 SER A 4 37.80 -89.09 REMARK 500 11 CYS A 8 7.64 -157.48 REMARK 500 12 CYS A 8 -10.76 -152.00 REMARK 500 13 CYS A 8 -6.69 -152.27 REMARK 500 14 SER A 4 34.19 -90.70 REMARK 500 14 CYS A 8 13.79 -159.65 REMARK 500 14 ARG A 11 43.99 -91.40 REMARK 500 15 SER A 4 45.28 -90.87 REMARK 500 15 CYS A 8 9.86 -158.26 REMARK 500 16 SER A 4 38.80 -91.21 REMARK 500 16 CYS A 8 15.50 -159.55 REMARK 500 16 ARG A 11 53.54 -92.74 REMARK 500 17 SER A 4 40.43 -90.05 REMARK 500 17 CYS A 8 -0.23 -151.20 REMARK 500 18 SER A 4 38.60 -85.78 REMARK 500 18 ARG A 11 47.60 -92.03 REMARK 500 19 CYS A 8 23.55 -71.97 REMARK 500 19 ARG A 11 57.13 -111.27 REMARK 500 20 CYS A 8 23.04 -73.95 REMARK 500 20 ARG A 11 50.77 -94.71 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 21006 RELATED DB: BMRB REMARK 999 REMARK 999 SEQUENCE REMARK 999 SG OF CYS3 OF NATIVE SEQUENCE IS SUBSTITUTED WITH CH3. REMARK 999 CYSTATHIONINE IS PRESENT BETWEEN RESIDUES 3 AND 12. DBREF A 1 12 UNP P50983 CA1_CONIM 5 16 SEQADV ABA A 3 UNP P50983 CYS 7 SEE REMARK 999 SEQADV NH2 A 13 UNP P50983 AMIDATION SEQRES 1 A 13 GLY CYS ABA SER ASP PRO ARG CYS ALA TRP ARG CYS NH2 MODRES ABA A 3 ALA ALPHA-AMINOBUTYRIC ACID HET ABA A 3 12 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 CYS A 8 CYS A 12 5 5 SSBOND 1 CYS A 2 CYS A 8 1555 1555 2.03 LINK C CYS A 2 N ABA A 3 1555 1555 1.32 LINK C ABA A 3 N SER A 4 1555 1555 1.33 LINK C CYS A 12 N NH2 A 13 1555 1555 1.33 LINK CG ABA A 3 SG CYS A 12 1555 1555 2.00 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 6.490 -0.464 2.522 1.00 0.00 N ATOM 2 CA GLY A 1 5.849 -1.556 1.744 1.00 0.00 C ATOM 3 C GLY A 1 4.435 -1.188 1.380 1.00 0.00 C ATOM 4 O GLY A 1 3.848 -0.346 2.045 1.00 0.00 O ATOM 5 H1 GLY A 1 6.852 -0.830 3.425 1.00 0.00 H ATOM 6 H2 GLY A 1 5.788 0.282 2.721 1.00 0.00 H ATOM 7 H3 GLY A 1 7.275 -0.050 1.983 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.413 -1.729 0.839 1.00 0.00 H ATOM 9 HA3 GLY A 1 5.843 -2.459 2.339 1.00 0.00 H ATOM 10 N CYS A 2 3.888 -1.792 0.328 1.00 0.00 N ATOM 11 CA CYS A 2 2.535 -1.486 -0.102 1.00 0.00 C ATOM 12 C CYS A 2 1.518 -1.750 1.000 1.00 0.00 C ATOM 13 O CYS A 2 0.734 -0.878 1.342 1.00 0.00 O ATOM 14 CB CYS A 2 2.185 -2.286 -1.356 1.00 0.00 C ATOM 15 SG CYS A 2 2.488 -1.389 -2.915 1.00 0.00 S ATOM 16 H CYS A 2 4.403 -2.449 -0.178 1.00 0.00 H ATOM 17 HA CYS A 2 2.502 -0.442 -0.342 1.00 0.00 H ATOM 18 HB2 CYS A 2 2.784 -3.185 -1.376 1.00 0.00 H ATOM 19 HB3 CYS A 2 1.150 -2.554 -1.321 1.00 0.00 H HETATM 20 N ABA A 3 1.549 -2.946 1.560 1.00 0.00 N HETATM 21 CA ABA A 3 0.623 -3.312 2.629 1.00 0.00 C HETATM 22 C ABA A 3 0.762 -2.369 3.822 1.00 0.00 C HETATM 23 O ABA A 3 -0.226 -1.993 4.447 1.00 0.00 O HETATM 24 CB ABA A 3 0.856 -4.760 3.069 1.00 0.00 C HETATM 25 CG ABA A 3 -0.084 -5.223 4.161 1.00 0.00 C HETATM 26 H ABA A 3 2.205 -3.595 1.248 1.00 0.00 H HETATM 27 HA ABA A 3 -0.380 -3.225 2.238 1.00 0.00 H HETATM 28 HB3 ABA A 3 1.863 -4.861 3.434 1.00 0.00 H HETATM 29 HB2 ABA A 3 0.721 -5.411 2.220 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.131 -4.475 4.938 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.277 -6.152 4.578 1.00 0.00 H ATOM 32 N SER A 4 1.994 -1.987 4.123 1.00 0.00 N ATOM 33 CA SER A 4 2.273 -1.089 5.229 1.00 0.00 C ATOM 34 C SER A 4 2.242 0.378 4.788 1.00 0.00 C ATOM 35 O SER A 4 3.014 1.197 5.285 1.00 0.00 O ATOM 36 CB SER A 4 3.641 -1.442 5.809 1.00 0.00 C ATOM 37 OG SER A 4 4.364 -2.297 4.925 1.00 0.00 O ATOM 38 H SER A 4 2.740 -2.313 3.589 1.00 0.00 H ATOM 39 HA SER A 4 1.520 -1.245 5.985 1.00 0.00 H ATOM 40 HB2 SER A 4 4.209 -0.539 5.957 1.00 0.00 H ATOM 41 HB3 SER A 4 3.510 -1.949 6.753 1.00 0.00 H ATOM 42 HG SER A 4 4.635 -3.088 5.407 1.00 0.00 H ATOM 43 N ASP A 5 1.354 0.700 3.854 1.00 0.00 N ATOM 44 CA ASP A 5 1.227 2.065 3.350 1.00 0.00 C ATOM 45 C ASP A 5 -0.195 2.316 2.876 1.00 0.00 C ATOM 46 O ASP A 5 -0.715 1.557 2.074 1.00 0.00 O ATOM 47 CB ASP A 5 2.180 2.287 2.176 1.00 0.00 C ATOM 48 CG ASP A 5 2.477 3.753 1.926 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.533 4.526 1.656 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.662 4.138 1.988 1.00 0.00 O ATOM 51 H ASP A 5 0.764 0.005 3.492 1.00 0.00 H ATOM 52 HA ASP A 5 1.470 2.751 4.147 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.111 1.777 2.372 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.727 1.872 1.283 1.00 0.00 H ATOM 55 N PRO A 6 -0.849 3.386 3.341 1.00 0.00 N ATOM 56 CA PRO A 6 -2.218 3.707 2.924 1.00 0.00 C ATOM 57 C PRO A 6 -2.322 3.986 1.419 1.00 0.00 C ATOM 58 O PRO A 6 -3.404 3.930 0.837 1.00 0.00 O ATOM 59 CB PRO A 6 -2.555 4.968 3.728 1.00 0.00 C ATOM 60 CG PRO A 6 -1.238 5.540 4.130 1.00 0.00 C ATOM 61 CD PRO A 6 -0.310 4.370 4.294 1.00 0.00 C ATOM 62 HA PRO A 6 -2.906 2.916 3.188 1.00 0.00 H ATOM 63 HB2 PRO A 6 -3.110 5.656 3.106 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.147 4.701 4.591 1.00 0.00 H ATOM 65 HG2 PRO A 6 -0.873 6.200 3.357 1.00 0.00 H ATOM 66 HG3 PRO A 6 -1.337 6.073 5.064 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.700 4.647 4.034 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.353 3.992 5.304 1.00 0.00 H ATOM 69 N ARG A 7 -1.185 4.294 0.807 1.00 0.00 N ATOM 70 CA ARG A 7 -1.098 4.599 -0.592 1.00 0.00 C ATOM 71 C ARG A 7 -1.096 3.352 -1.454 1.00 0.00 C ATOM 72 O ARG A 7 -1.161 3.454 -2.671 1.00 0.00 O ATOM 73 CB ARG A 7 0.179 5.370 -0.829 1.00 0.00 C ATOM 74 CG ARG A 7 0.097 6.836 -0.445 1.00 0.00 C ATOM 75 CD ARG A 7 1.466 7.495 -0.484 1.00 0.00 C ATOM 76 NE ARG A 7 2.436 6.795 0.359 1.00 0.00 N ATOM 77 CZ ARG A 7 3.685 7.208 0.563 1.00 0.00 C ATOM 78 NH1 ARG A 7 4.111 8.347 0.025 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.506 6.482 1.308 1.00 0.00 N ATOM 80 H ARG A 7 -0.359 4.321 1.316 1.00 0.00 H ATOM 81 HA ARG A 7 -1.938 5.219 -0.860 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.968 4.915 -0.246 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.428 5.292 -1.858 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.557 7.345 -1.136 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.301 6.914 0.556 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.823 7.494 -1.504 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.370 8.514 -0.139 1.00 0.00 H ATOM 88 HE ARG A 7 2.135 5.948 0.792 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.493 8.897 -0.536 1.00 0.00 H ATOM 90 HH12 ARG A 7 5.050 8.657 0.179 1.00 0.00 H ATOM 91 HH21 ARG A 7 4.178 5.606 1.718 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.442 6.781 1.473 1.00 0.00 H ATOM 93 N CYS A 8 -0.972 2.184 -0.834 1.00 0.00 N ATOM 94 CA CYS A 8 -0.924 0.937 -1.595 1.00 0.00 C ATOM 95 C CYS A 8 -1.283 -0.283 -0.740 1.00 0.00 C ATOM 96 O CYS A 8 -0.975 -1.422 -1.096 1.00 0.00 O ATOM 97 CB CYS A 8 0.481 0.775 -2.177 1.00 0.00 C ATOM 98 SG CYS A 8 0.676 -0.590 -3.374 1.00 0.00 S ATOM 99 H CYS A 8 -0.872 2.170 0.137 1.00 0.00 H ATOM 100 HA CYS A 8 -1.637 1.019 -2.398 1.00 0.00 H ATOM 101 HB2 CYS A 8 0.759 1.689 -2.677 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.167 0.598 -1.362 1.00 0.00 H ATOM 103 N ALA A 9 -1.922 -0.030 0.386 1.00 0.00 N ATOM 104 CA ALA A 9 -2.321 -1.084 1.335 1.00 0.00 C ATOM 105 C ALA A 9 -3.161 -2.174 0.684 1.00 0.00 C ATOM 106 O ALA A 9 -3.126 -3.335 1.091 1.00 0.00 O ATOM 107 CB ALA A 9 -3.075 -0.480 2.509 1.00 0.00 C ATOM 108 H ALA A 9 -2.109 0.902 0.608 1.00 0.00 H ATOM 109 HA ALA A 9 -1.425 -1.532 1.712 1.00 0.00 H ATOM 110 HB1 ALA A 9 -3.532 0.450 2.204 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.387 -0.293 3.321 1.00 0.00 H ATOM 112 HB3 ALA A 9 -3.842 -1.166 2.838 1.00 0.00 H ATOM 113 N TRP A 10 -3.908 -1.779 -0.320 1.00 0.00 N ATOM 114 CA TRP A 10 -4.784 -2.678 -1.066 1.00 0.00 C ATOM 115 C TRP A 10 -3.996 -3.805 -1.724 1.00 0.00 C ATOM 116 O TRP A 10 -4.487 -4.921 -1.872 1.00 0.00 O ATOM 117 CB TRP A 10 -5.599 -1.877 -2.090 1.00 0.00 C ATOM 118 CG TRP A 10 -5.032 -0.518 -2.328 1.00 0.00 C ATOM 119 CD1 TRP A 10 -5.269 0.584 -1.569 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.158 -0.103 -3.383 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.553 1.648 -2.048 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.878 1.257 -3.168 1.00 0.00 C ATOM 123 CE3 TRP A 10 -3.574 -0.744 -4.477 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.042 1.986 -3.997 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -2.745 -0.016 -5.310 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.482 1.337 -5.064 1.00 0.00 C ATOM 127 H TRP A 10 -3.872 -0.838 -0.571 1.00 0.00 H ATOM 128 HA TRP A 10 -5.455 -3.116 -0.358 1.00 0.00 H ATOM 129 HB2 TRP A 10 -5.622 -2.406 -3.030 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.606 -1.749 -1.720 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.903 0.585 -0.697 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.537 2.546 -1.659 1.00 0.00 H ATOM 133 HE3 TRP A 10 -3.766 -1.789 -4.681 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.817 3.031 -3.799 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -2.285 -0.493 -6.163 1.00 0.00 H ATOM 136 HH2 TRP A 10 -1.829 1.871 -5.740 1.00 0.00 H ATOM 137 N ARG A 11 -2.759 -3.516 -2.073 1.00 0.00 N ATOM 138 CA ARG A 11 -1.882 -4.515 -2.671 1.00 0.00 C ATOM 139 C ARG A 11 -1.021 -5.169 -1.597 1.00 0.00 C ATOM 140 O ARG A 11 0.205 -5.208 -1.701 1.00 0.00 O ATOM 141 CB ARG A 11 -0.994 -3.912 -3.762 1.00 0.00 C ATOM 142 CG ARG A 11 -1.747 -3.535 -5.027 1.00 0.00 C ATOM 143 CD ARG A 11 -0.793 -3.269 -6.182 1.00 0.00 C ATOM 144 NE ARG A 11 0.238 -2.292 -5.832 1.00 0.00 N ATOM 145 CZ ARG A 11 1.200 -1.887 -6.661 1.00 0.00 C ATOM 146 NH1 ARG A 11 1.257 -2.358 -7.903 1.00 0.00 N ATOM 147 NH2 ARG A 11 2.107 -1.012 -6.241 1.00 0.00 N ATOM 148 H ARG A 11 -2.417 -2.620 -1.886 1.00 0.00 H ATOM 149 HA ARG A 11 -2.511 -5.275 -3.115 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.521 -3.023 -3.373 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.230 -4.630 -4.024 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.406 -4.345 -5.298 1.00 0.00 H ATOM 153 HG3 ARG A 11 -2.325 -2.644 -4.837 1.00 0.00 H ATOM 154 HD2 ARG A 11 -0.315 -4.197 -6.459 1.00 0.00 H ATOM 155 HD3 ARG A 11 -1.360 -2.894 -7.021 1.00 0.00 H ATOM 156 HE ARG A 11 0.215 -1.923 -4.917 1.00 0.00 H ATOM 157 HH11 ARG A 11 0.575 -3.018 -8.221 1.00 0.00 H ATOM 158 HH12 ARG A 11 1.980 -2.054 -8.525 1.00 0.00 H ATOM 159 HH21 ARG A 11 2.066 -0.658 -5.299 1.00 0.00 H ATOM 160 HH22 ARG A 11 2.834 -0.701 -6.854 1.00 0.00 H ATOM 161 N CYS A 12 -1.672 -5.669 -0.559 1.00 0.00 N ATOM 162 CA CYS A 12 -0.975 -6.316 0.543 1.00 0.00 C ATOM 163 C CYS A 12 -0.796 -7.803 0.261 1.00 0.00 C ATOM 164 O CYS A 12 0.138 -8.433 0.751 1.00 0.00 O ATOM 165 CB CYS A 12 -1.747 -6.111 1.851 1.00 0.00 C ATOM 166 SG CYS A 12 -0.943 -6.821 3.325 1.00 0.00 S ATOM 167 H CYS A 12 -2.652 -5.597 -0.529 1.00 0.00 H ATOM 168 HA CYS A 12 0.000 -5.859 0.634 1.00 0.00 H ATOM 169 HB2 CYS A 12 -1.866 -5.052 2.025 1.00 0.00 H ATOM 170 HB3 CYS A 12 -2.718 -6.564 1.759 1.00 0.00 H HETATM 171 N NH2 A 13 -1.692 -8.363 -0.542 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -1.901 -9.310 -0.410 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -2.105 -7.806 -1.233 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 2 ATOM 1 N GLY A 1 6.287 0.766 3.572 1.00 0.00 N ATOM 2 CA GLY A 1 6.147 -0.388 2.645 1.00 0.00 C ATOM 3 C GLY A 1 4.778 -0.395 2.013 1.00 0.00 C ATOM 4 O GLY A 1 3.860 0.156 2.593 1.00 0.00 O ATOM 5 H1 GLY A 1 5.390 1.300 3.605 1.00 0.00 H ATOM 6 H2 GLY A 1 7.042 1.400 3.250 1.00 0.00 H ATOM 7 H3 GLY A 1 6.510 0.433 4.530 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.893 -0.315 1.870 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.290 -1.306 3.196 1.00 0.00 H ATOM 10 N CYS A 2 4.642 -0.990 0.829 1.00 0.00 N ATOM 11 CA CYS A 2 3.352 -1.026 0.131 1.00 0.00 C ATOM 12 C CYS A 2 2.227 -1.523 1.035 1.00 0.00 C ATOM 13 O CYS A 2 1.202 -0.867 1.172 1.00 0.00 O ATOM 14 CB CYS A 2 3.442 -1.892 -1.133 1.00 0.00 C ATOM 15 SG CYS A 2 1.827 -2.419 -1.801 1.00 0.00 S ATOM 16 H CYS A 2 5.424 -1.402 0.405 1.00 0.00 H ATOM 17 HA CYS A 2 3.122 -0.020 -0.160 1.00 0.00 H ATOM 18 HB2 CYS A 2 3.948 -1.335 -1.907 1.00 0.00 H ATOM 19 HB3 CYS A 2 4.012 -2.782 -0.909 1.00 0.00 H HETATM 20 N ABA A 3 2.430 -2.672 1.652 1.00 0.00 N HETATM 21 CA ABA A 3 1.423 -3.248 2.542 1.00 0.00 C HETATM 22 C ABA A 3 1.163 -2.337 3.740 1.00 0.00 C HETATM 23 O ABA A 3 0.018 -2.120 4.128 1.00 0.00 O HETATM 24 CB ABA A 3 1.863 -4.637 3.016 1.00 0.00 C HETATM 25 CG ABA A 3 0.829 -5.349 3.867 1.00 0.00 C HETATM 26 H ABA A 3 3.269 -3.144 1.505 1.00 0.00 H HETATM 27 HA ABA A 3 0.508 -3.347 1.978 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.766 -4.539 3.602 1.00 0.00 H HETATM 29 HB2 ABA A 3 2.064 -5.256 2.155 1.00 0.00 H HETATM 30 HG1 ABA A 3 0.727 -4.837 4.813 1.00 0.00 H HETATM 31 HG2 ABA A 3 1.145 -6.367 4.040 1.00 0.00 H ATOM 32 N SER A 4 2.231 -1.810 4.320 1.00 0.00 N ATOM 33 CA SER A 4 2.133 -0.930 5.470 1.00 0.00 C ATOM 34 C SER A 4 2.021 0.543 5.055 1.00 0.00 C ATOM 35 O SER A 4 2.663 1.408 5.649 1.00 0.00 O ATOM 36 CB SER A 4 3.362 -1.142 6.350 1.00 0.00 C ATOM 37 OG SER A 4 4.407 -1.782 5.618 1.00 0.00 O ATOM 38 H SER A 4 3.116 -2.018 3.970 1.00 0.00 H ATOM 39 HA SER A 4 1.252 -1.205 6.027 1.00 0.00 H ATOM 40 HB2 SER A 4 3.719 -0.187 6.694 1.00 0.00 H ATOM 41 HB3 SER A 4 3.099 -1.760 7.195 1.00 0.00 H ATOM 42 HG SER A 4 4.794 -2.473 6.164 1.00 0.00 H ATOM 43 N ASP A 5 1.217 0.818 4.033 1.00 0.00 N ATOM 44 CA ASP A 5 1.036 2.185 3.550 1.00 0.00 C ATOM 45 C ASP A 5 -0.337 2.338 2.919 1.00 0.00 C ATOM 46 O ASP A 5 -0.712 1.541 2.072 1.00 0.00 O ATOM 47 CB ASP A 5 2.100 2.521 2.504 1.00 0.00 C ATOM 48 CG ASP A 5 2.273 4.011 2.284 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.310 4.677 1.850 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.385 4.520 2.532 1.00 0.00 O ATOM 51 H ASP A 5 0.734 0.087 3.592 1.00 0.00 H ATOM 52 HA ASP A 5 1.127 2.860 4.386 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.048 2.111 2.819 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.813 2.068 1.563 1.00 0.00 H ATOM 55 N PRO A 6 -1.106 3.365 3.301 1.00 0.00 N ATOM 56 CA PRO A 6 -2.442 3.600 2.737 1.00 0.00 C ATOM 57 C PRO A 6 -2.408 3.775 1.215 1.00 0.00 C ATOM 58 O PRO A 6 -3.415 3.593 0.531 1.00 0.00 O ATOM 59 CB PRO A 6 -2.895 4.901 3.411 1.00 0.00 C ATOM 60 CG PRO A 6 -2.059 5.013 4.641 1.00 0.00 C ATOM 61 CD PRO A 6 -0.739 4.382 4.301 1.00 0.00 C ATOM 62 HA PRO A 6 -3.124 2.803 2.993 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.726 5.733 2.743 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.945 4.837 3.654 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.921 6.053 4.898 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.530 4.483 5.454 1.00 0.00 H ATOM 67 HD2 PRO A 6 -0.066 5.112 3.880 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.303 3.922 5.175 1.00 0.00 H ATOM 69 N ARG A 7 -1.240 4.130 0.698 1.00 0.00 N ATOM 70 CA ARG A 7 -1.029 4.347 -0.706 1.00 0.00 C ATOM 71 C ARG A 7 -0.893 3.048 -1.478 1.00 0.00 C ATOM 72 O ARG A 7 -0.840 3.064 -2.702 1.00 0.00 O ATOM 73 CB ARG A 7 0.228 5.170 -0.877 1.00 0.00 C ATOM 74 CG ARG A 7 0.017 6.660 -0.683 1.00 0.00 C ATOM 75 CD ARG A 7 1.340 7.404 -0.619 1.00 0.00 C ATOM 76 NE ARG A 7 2.206 6.891 0.444 1.00 0.00 N ATOM 77 CZ ARG A 7 3.375 7.430 0.781 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.805 8.531 0.172 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.114 6.868 1.728 1.00 0.00 N ATOM 80 H ARG A 7 -0.474 4.256 1.288 1.00 0.00 H ATOM 81 HA ARG A 7 -1.867 4.905 -1.093 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.956 4.836 -0.150 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.610 4.993 -1.851 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.560 7.043 -1.511 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.522 6.821 0.240 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.847 7.294 -1.566 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.142 8.450 -0.435 1.00 0.00 H ATOM 88 HE ARG A 7 1.897 6.078 0.931 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.251 8.957 -0.542 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.685 8.935 0.425 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.784 6.021 2.192 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.989 7.265 1.995 1.00 0.00 H ATOM 93 N CYS A 8 -0.792 1.928 -0.779 1.00 0.00 N ATOM 94 CA CYS A 8 -0.629 0.647 -1.468 1.00 0.00 C ATOM 95 C CYS A 8 -1.115 -0.543 -0.632 1.00 0.00 C ATOM 96 O CYS A 8 -0.945 -1.697 -1.015 1.00 0.00 O ATOM 97 CB CYS A 8 0.851 0.476 -1.850 1.00 0.00 C ATOM 98 SG CYS A 8 1.225 -0.892 -3.002 1.00 0.00 S ATOM 99 H CYS A 8 -0.796 1.970 0.199 1.00 0.00 H ATOM 100 HA CYS A 8 -1.225 0.697 -2.356 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.194 1.387 -2.312 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.422 0.307 -0.947 1.00 0.00 H ATOM 103 N ALA A 9 -1.723 -0.255 0.501 1.00 0.00 N ATOM 104 CA ALA A 9 -2.232 -1.296 1.405 1.00 0.00 C ATOM 105 C ALA A 9 -3.219 -2.218 0.707 1.00 0.00 C ATOM 106 O ALA A 9 -3.300 -3.410 0.998 1.00 0.00 O ATOM 107 CB ALA A 9 -2.877 -0.667 2.631 1.00 0.00 C ATOM 108 H ALA A 9 -1.823 0.685 0.747 1.00 0.00 H ATOM 109 HA ALA A 9 -1.394 -1.880 1.731 1.00 0.00 H ATOM 110 HB1 ALA A 9 -3.951 -0.744 2.552 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.595 0.374 2.692 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.542 -1.183 3.518 1.00 0.00 H ATOM 113 N TRP A 10 -3.952 -1.641 -0.212 1.00 0.00 N ATOM 114 CA TRP A 10 -4.960 -2.344 -0.999 1.00 0.00 C ATOM 115 C TRP A 10 -4.336 -3.393 -1.913 1.00 0.00 C ATOM 116 O TRP A 10 -5.013 -4.300 -2.395 1.00 0.00 O ATOM 117 CB TRP A 10 -5.789 -1.327 -1.795 1.00 0.00 C ATOM 118 CG TRP A 10 -5.040 -0.071 -2.092 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.830 0.944 -1.217 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.434 0.326 -3.327 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.076 1.923 -1.802 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.837 1.580 -3.101 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.322 -0.252 -4.593 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.142 2.264 -4.084 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.633 0.435 -5.577 1.00 0.00 C ATOM 126 CH2 TRP A 10 -3.048 1.680 -5.318 1.00 0.00 C ATOM 127 H TRP A 10 -3.811 -0.692 -0.374 1.00 0.00 H ATOM 128 HA TRP A 10 -5.603 -2.845 -0.305 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.095 -1.767 -2.728 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.658 -1.057 -1.216 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.180 0.935 -0.198 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.771 2.744 -1.364 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.766 -1.212 -4.811 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.679 3.225 -3.885 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.538 0.005 -6.565 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.520 2.182 -6.115 1.00 0.00 H ATOM 137 N ARG A 11 -3.041 -3.275 -2.128 1.00 0.00 N ATOM 138 CA ARG A 11 -2.308 -4.224 -2.959 1.00 0.00 C ATOM 139 C ARG A 11 -1.765 -5.365 -2.109 1.00 0.00 C ATOM 140 O ARG A 11 -1.281 -6.369 -2.631 1.00 0.00 O ATOM 141 CB ARG A 11 -1.162 -3.536 -3.701 1.00 0.00 C ATOM 142 CG ARG A 11 -1.625 -2.610 -4.813 1.00 0.00 C ATOM 143 CD ARG A 11 -2.453 -3.360 -5.843 1.00 0.00 C ATOM 144 NE ARG A 11 -2.917 -2.486 -6.920 1.00 0.00 N ATOM 145 CZ ARG A 11 -3.722 -2.881 -7.906 1.00 0.00 C ATOM 146 NH1 ARG A 11 -4.158 -4.138 -7.947 1.00 0.00 N ATOM 147 NH2 ARG A 11 -4.094 -2.019 -8.847 1.00 0.00 N ATOM 148 H ARG A 11 -2.559 -2.540 -1.697 1.00 0.00 H ATOM 149 HA ARG A 11 -3.000 -4.631 -3.682 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.589 -2.954 -2.994 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.523 -4.291 -4.135 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.226 -1.822 -4.386 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.759 -2.184 -5.298 1.00 0.00 H ATOM 154 HD2 ARG A 11 -1.847 -4.147 -6.268 1.00 0.00 H ATOM 155 HD3 ARG A 11 -3.310 -3.794 -5.350 1.00 0.00 H ATOM 156 HE ARG A 11 -2.608 -1.553 -6.902 1.00 0.00 H ATOM 157 HH11 ARG A 11 -3.881 -4.788 -7.237 1.00 0.00 H ATOM 158 HH12 ARG A 11 -4.765 -4.439 -8.685 1.00 0.00 H ATOM 159 HH21 ARG A 11 -3.772 -1.070 -8.817 1.00 0.00 H ATOM 160 HH22 ARG A 11 -4.700 -2.312 -9.589 1.00 0.00 H ATOM 161 N CYS A 12 -1.849 -5.203 -0.797 1.00 0.00 N ATOM 162 CA CYS A 12 -1.367 -6.210 0.135 1.00 0.00 C ATOM 163 C CYS A 12 -2.472 -7.218 0.446 1.00 0.00 C ATOM 164 O CYS A 12 -2.968 -7.291 1.569 1.00 0.00 O ATOM 165 CB CYS A 12 -0.879 -5.534 1.421 1.00 0.00 C ATOM 166 SG CYS A 12 0.007 -6.635 2.574 1.00 0.00 S ATOM 167 H CYS A 12 -2.251 -4.381 -0.443 1.00 0.00 H ATOM 168 HA CYS A 12 -0.541 -6.727 -0.329 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.207 -4.730 1.160 1.00 0.00 H ATOM 170 HB3 CYS A 12 -1.730 -5.126 1.946 1.00 0.00 H HETATM 171 N NH2 A 13 -2.862 -7.990 -0.558 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -3.496 -8.711 -0.368 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -2.498 -7.805 -1.452 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 3 ATOM 1 N GLY A 1 6.218 -0.461 3.491 1.00 0.00 N ATOM 2 CA GLY A 1 6.078 -0.981 2.106 1.00 0.00 C ATOM 3 C GLY A 1 4.683 -0.743 1.586 1.00 0.00 C ATOM 4 O GLY A 1 3.989 0.112 2.110 1.00 0.00 O ATOM 5 H1 GLY A 1 5.720 -1.085 4.162 1.00 0.00 H ATOM 6 H2 GLY A 1 5.796 0.491 3.554 1.00 0.00 H ATOM 7 H3 GLY A 1 7.219 -0.403 3.759 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.785 -0.477 1.463 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.284 -2.042 2.102 1.00 0.00 H ATOM 10 N CYS A 2 4.261 -1.495 0.572 1.00 0.00 N ATOM 11 CA CYS A 2 2.925 -1.327 0.018 1.00 0.00 C ATOM 12 C CYS A 2 1.856 -1.672 1.044 1.00 0.00 C ATOM 13 O CYS A 2 0.970 -0.874 1.319 1.00 0.00 O ATOM 14 CB CYS A 2 2.757 -2.190 -1.234 1.00 0.00 C ATOM 15 SG CYS A 2 2.905 -1.268 -2.799 1.00 0.00 S ATOM 16 H CYS A 2 4.850 -2.173 0.189 1.00 0.00 H ATOM 17 HA CYS A 2 2.812 -0.296 -0.254 1.00 0.00 H ATOM 18 HB2 CYS A 2 3.513 -2.959 -1.234 1.00 0.00 H ATOM 19 HB3 CYS A 2 1.787 -2.652 -1.211 1.00 0.00 H HETATM 20 N ABA A 3 1.956 -2.861 1.611 1.00 0.00 N HETATM 21 CA ABA A 3 0.997 -3.320 2.612 1.00 0.00 C HETATM 22 C ABA A 3 0.971 -2.381 3.816 1.00 0.00 C HETATM 23 O ABA A 3 -0.085 -2.107 4.377 1.00 0.00 O HETATM 24 CB ABA A 3 1.344 -4.743 3.061 1.00 0.00 C HETATM 25 CG ABA A 3 0.292 -5.380 3.949 1.00 0.00 C HETATM 26 H ABA A 3 2.691 -3.445 1.348 1.00 0.00 H HETATM 27 HA ABA A 3 0.020 -3.326 2.154 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.272 -4.723 3.612 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.463 -5.370 2.191 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.322 -4.608 4.387 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.776 -5.943 4.732 1.00 0.00 H ATOM 32 N SER A 4 2.141 -1.894 4.203 1.00 0.00 N ATOM 33 CA SER A 4 2.267 -0.993 5.335 1.00 0.00 C ATOM 34 C SER A 4 2.152 0.477 4.918 1.00 0.00 C ATOM 35 O SER A 4 2.829 1.336 5.481 1.00 0.00 O ATOM 36 CB SER A 4 3.611 -1.250 6.013 1.00 0.00 C ATOM 37 OG SER A 4 4.487 -1.989 5.160 1.00 0.00 O ATOM 38 H SER A 4 2.946 -2.149 3.720 1.00 0.00 H ATOM 39 HA SER A 4 1.476 -1.222 6.031 1.00 0.00 H ATOM 40 HB2 SER A 4 4.075 -0.305 6.246 1.00 0.00 H ATOM 41 HB3 SER A 4 3.455 -1.811 6.921 1.00 0.00 H ATOM 42 HG SER A 4 4.686 -2.837 5.577 1.00 0.00 H ATOM 43 N ASP A 5 1.305 0.763 3.935 1.00 0.00 N ATOM 44 CA ASP A 5 1.119 2.135 3.460 1.00 0.00 C ATOM 45 C ASP A 5 -0.279 2.309 2.890 1.00 0.00 C ATOM 46 O ASP A 5 -0.688 1.542 2.036 1.00 0.00 O ATOM 47 CB ASP A 5 2.132 2.462 2.366 1.00 0.00 C ATOM 48 CG ASP A 5 2.321 3.954 2.166 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.345 4.648 1.810 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.454 4.440 2.359 1.00 0.00 O ATOM 51 H ASP A 5 0.791 0.040 3.516 1.00 0.00 H ATOM 52 HA ASP A 5 1.255 2.807 4.291 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.086 2.026 2.623 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.782 2.034 1.434 1.00 0.00 H ATOM 55 N PRO A 6 -1.028 3.327 3.328 1.00 0.00 N ATOM 56 CA PRO A 6 -2.383 3.581 2.820 1.00 0.00 C ATOM 57 C PRO A 6 -2.404 3.827 1.306 1.00 0.00 C ATOM 58 O PRO A 6 -3.438 3.682 0.653 1.00 0.00 O ATOM 59 CB PRO A 6 -2.819 4.847 3.571 1.00 0.00 C ATOM 60 CG PRO A 6 -1.928 4.919 4.763 1.00 0.00 C ATOM 61 CD PRO A 6 -0.620 4.315 4.339 1.00 0.00 C ATOM 62 HA PRO A 6 -3.054 2.767 3.060 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.692 5.707 2.930 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.856 4.756 3.858 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.788 5.949 5.053 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.356 4.353 5.577 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.022 5.068 3.906 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.135 3.833 5.174 1.00 0.00 H ATOM 69 N ARG A 7 -1.253 4.202 0.762 1.00 0.00 N ATOM 70 CA ARG A 7 -1.092 4.484 -0.637 1.00 0.00 C ATOM 71 C ARG A 7 -0.992 3.223 -1.475 1.00 0.00 C ATOM 72 O ARG A 7 -0.987 3.299 -2.695 1.00 0.00 O ATOM 73 CB ARG A 7 0.161 5.310 -0.814 1.00 0.00 C ATOM 74 CG ARG A 7 -0.027 6.785 -0.502 1.00 0.00 C ATOM 75 CD ARG A 7 1.301 7.521 -0.455 1.00 0.00 C ATOM 76 NE ARG A 7 2.223 6.929 0.516 1.00 0.00 N ATOM 77 CZ ARG A 7 3.408 7.448 0.836 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.797 8.605 0.308 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.199 6.812 1.687 1.00 0.00 N ATOM 80 H ARG A 7 -0.466 4.295 1.325 1.00 0.00 H ATOM 81 HA ARG A 7 -1.941 5.062 -0.966 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.924 4.922 -0.153 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.492 5.202 -1.816 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.644 7.228 -1.269 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.515 6.880 0.455 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.754 7.483 -1.434 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.118 8.550 -0.182 1.00 0.00 H ATOM 88 HE ARG A 7 1.945 6.074 0.947 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.201 9.089 -0.332 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.686 8.996 0.549 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.900 5.923 2.091 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.086 7.191 1.938 1.00 0.00 H ATOM 93 N CYS A 8 -0.872 2.073 -0.828 1.00 0.00 N ATOM 94 CA CYS A 8 -0.746 0.815 -1.564 1.00 0.00 C ATOM 95 C CYS A 8 -1.139 -0.398 -0.713 1.00 0.00 C ATOM 96 O CYS A 8 -0.854 -1.543 -1.062 1.00 0.00 O ATOM 97 CB CYS A 8 0.694 0.678 -2.064 1.00 0.00 C ATOM 98 SG CYS A 8 0.997 -0.707 -3.214 1.00 0.00 S ATOM 99 H CYS A 8 -0.838 2.077 0.149 1.00 0.00 H ATOM 100 HA CYS A 8 -1.414 0.872 -2.404 1.00 0.00 H ATOM 101 HB2 CYS A 8 0.974 1.588 -2.569 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.341 0.540 -1.208 1.00 0.00 H ATOM 103 N ALA A 9 -1.789 -0.134 0.407 1.00 0.00 N ATOM 104 CA ALA A 9 -2.221 -1.186 1.339 1.00 0.00 C ATOM 105 C ALA A 9 -3.171 -2.174 0.679 1.00 0.00 C ATOM 106 O ALA A 9 -3.221 -3.349 1.035 1.00 0.00 O ATOM 107 CB ALA A 9 -2.876 -0.574 2.568 1.00 0.00 C ATOM 108 H ALA A 9 -1.965 0.801 0.628 1.00 0.00 H ATOM 109 HA ALA A 9 -1.347 -1.719 1.656 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.885 -1.299 3.369 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.890 -0.286 2.332 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.316 0.296 2.878 1.00 0.00 H ATOM 113 N TRP A 10 -3.910 -1.669 -0.282 1.00 0.00 N ATOM 114 CA TRP A 10 -4.880 -2.454 -1.038 1.00 0.00 C ATOM 115 C TRP A 10 -4.191 -3.541 -1.854 1.00 0.00 C ATOM 116 O TRP A 10 -4.810 -4.522 -2.264 1.00 0.00 O ATOM 117 CB TRP A 10 -5.718 -1.524 -1.924 1.00 0.00 C ATOM 118 CG TRP A 10 -5.037 -0.226 -2.198 1.00 0.00 C ATOM 119 CD1 TRP A 10 -5.016 0.846 -1.364 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.305 0.153 -3.366 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.269 1.852 -1.910 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.836 1.460 -3.146 1.00 0.00 C ATOM 123 CE3 TRP A 10 -3.986 -0.480 -4.569 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.070 2.144 -4.071 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.225 0.205 -5.499 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.770 1.506 -5.244 1.00 0.00 C ATOM 127 H TRP A 10 -3.796 -0.729 -0.497 1.00 0.00 H ATOM 128 HA TRP A 10 -5.525 -2.928 -0.326 1.00 0.00 H ATOM 129 HB2 TRP A 10 -5.920 -2.007 -2.867 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.649 -1.303 -1.422 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.495 0.863 -0.399 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.083 2.718 -1.492 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.326 -1.483 -4.781 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.702 3.147 -3.871 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -2.968 -0.265 -6.437 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.179 2.006 -5.998 1.00 0.00 H ATOM 137 N ARG A 11 -2.897 -3.378 -2.046 1.00 0.00 N ATOM 138 CA ARG A 11 -2.094 -4.356 -2.762 1.00 0.00 C ATOM 139 C ARG A 11 -1.443 -5.303 -1.762 1.00 0.00 C ATOM 140 O ARG A 11 -0.250 -5.599 -1.846 1.00 0.00 O ATOM 141 CB ARG A 11 -1.022 -3.674 -3.617 1.00 0.00 C ATOM 142 CG ARG A 11 -1.583 -2.927 -4.814 1.00 0.00 C ATOM 143 CD ARG A 11 -2.426 -3.837 -5.691 1.00 0.00 C ATOM 144 NE ARG A 11 -1.662 -4.988 -6.180 1.00 0.00 N ATOM 145 CZ ARG A 11 -2.194 -5.999 -6.869 1.00 0.00 C ATOM 146 NH1 ARG A 11 -3.496 -6.012 -7.136 1.00 0.00 N ATOM 147 NH2 ARG A 11 -1.422 -6.999 -7.284 1.00 0.00 N ATOM 148 H ARG A 11 -2.461 -2.591 -1.657 1.00 0.00 H ATOM 149 HA ARG A 11 -2.753 -4.923 -3.402 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.482 -2.971 -3.001 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.336 -4.424 -3.978 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.198 -2.111 -4.462 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.762 -2.535 -5.398 1.00 0.00 H ATOM 154 HD2 ARG A 11 -3.265 -4.195 -5.114 1.00 0.00 H ATOM 155 HD3 ARG A 11 -2.785 -3.270 -6.536 1.00 0.00 H ATOM 156 HE ARG A 11 -0.698 -5.001 -5.986 1.00 0.00 H ATOM 157 HH11 ARG A 11 -4.082 -5.262 -6.820 1.00 0.00 H ATOM 158 HH12 ARG A 11 -3.900 -6.770 -7.653 1.00 0.00 H ATOM 159 HH21 ARG A 11 -0.441 -6.997 -7.080 1.00 0.00 H ATOM 160 HH22 ARG A 11 -1.817 -7.762 -7.800 1.00 0.00 H ATOM 161 N CYS A 12 -2.233 -5.756 -0.800 1.00 0.00 N ATOM 162 CA CYS A 12 -1.750 -6.647 0.237 1.00 0.00 C ATOM 163 C CYS A 12 -2.874 -7.554 0.719 1.00 0.00 C ATOM 164 O CYS A 12 -3.965 -7.087 1.043 1.00 0.00 O ATOM 165 CB CYS A 12 -1.199 -5.821 1.403 1.00 0.00 C ATOM 166 SG CYS A 12 -0.470 -6.797 2.759 1.00 0.00 S ATOM 167 H CYS A 12 -3.172 -5.468 -0.779 1.00 0.00 H ATOM 168 HA CYS A 12 -0.956 -7.253 -0.176 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.431 -5.159 1.031 1.00 0.00 H ATOM 170 HB3 CYS A 12 -2.000 -5.229 1.820 1.00 0.00 H HETATM 171 N NH2 A 13 -2.617 -8.853 0.756 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -3.195 -9.423 1.303 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -1.861 -9.190 0.231 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 4 ATOM 1 N GLY A 1 6.031 0.169 4.021 1.00 0.00 N ATOM 2 CA GLY A 1 6.160 -0.389 2.649 1.00 0.00 C ATOM 3 C GLY A 1 4.847 -0.304 1.916 1.00 0.00 C ATOM 4 O GLY A 1 4.003 0.485 2.302 1.00 0.00 O ATOM 5 H1 GLY A 1 5.388 0.991 4.007 1.00 0.00 H ATOM 6 H2 GLY A 1 6.957 0.473 4.379 1.00 0.00 H ATOM 7 H3 GLY A 1 5.637 -0.550 4.665 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.906 0.173 2.104 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.469 -1.423 2.713 1.00 0.00 H ATOM 10 N CYS A 2 4.656 -1.113 0.879 1.00 0.00 N ATOM 11 CA CYS A 2 3.399 -1.087 0.131 1.00 0.00 C ATOM 12 C CYS A 2 2.235 -1.514 1.015 1.00 0.00 C ATOM 13 O CYS A 2 1.269 -0.779 1.183 1.00 0.00 O ATOM 14 CB CYS A 2 3.484 -1.977 -1.118 1.00 0.00 C ATOM 15 SG CYS A 2 1.865 -2.417 -1.840 1.00 0.00 S ATOM 16 H CYS A 2 5.362 -1.736 0.613 1.00 0.00 H ATOM 17 HA CYS A 2 3.231 -0.073 -0.179 1.00 0.00 H ATOM 18 HB2 CYS A 2 4.052 -1.463 -1.878 1.00 0.00 H ATOM 19 HB3 CYS A 2 3.989 -2.896 -0.860 1.00 0.00 H HETATM 20 N ABA A 3 2.344 -2.700 1.586 1.00 0.00 N HETATM 21 CA ABA A 3 1.301 -3.232 2.460 1.00 0.00 C HETATM 22 C ABA A 3 1.111 -2.347 3.692 1.00 0.00 C HETATM 23 O ABA A 3 -0.005 -2.153 4.160 1.00 0.00 O HETATM 24 CB ABA A 3 1.647 -4.663 2.885 1.00 0.00 C HETATM 25 CG ABA A 3 0.557 -5.348 3.689 1.00 0.00 C HETATM 26 H ABA A 3 3.143 -3.232 1.415 1.00 0.00 H HETATM 27 HA ABA A 3 0.378 -3.247 1.900 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.542 -4.644 3.490 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.828 -5.259 2.003 1.00 0.00 H HETATM 30 HG1 ABA A 3 1.007 -5.965 4.451 1.00 0.00 H HETATM 31 HG2 ABA A 3 -0.069 -4.601 4.153 1.00 0.00 H ATOM 32 N SER A 4 2.213 -1.826 4.213 1.00 0.00 N ATOM 33 CA SER A 4 2.181 -0.976 5.391 1.00 0.00 C ATOM 34 C SER A 4 2.027 0.509 5.039 1.00 0.00 C ATOM 35 O SER A 4 2.637 1.362 5.681 1.00 0.00 O ATOM 36 CB SER A 4 3.465 -1.199 6.186 1.00 0.00 C ATOM 37 OG SER A 4 4.479 -1.786 5.370 1.00 0.00 O ATOM 38 H SER A 4 3.074 -2.018 3.804 1.00 0.00 H ATOM 39 HA SER A 4 1.342 -1.280 5.996 1.00 0.00 H ATOM 40 HB2 SER A 4 3.824 -0.254 6.550 1.00 0.00 H ATOM 41 HB3 SER A 4 3.264 -1.857 7.019 1.00 0.00 H ATOM 42 HG SER A 4 4.732 -2.638 5.748 1.00 0.00 H ATOM 43 N ASP A 5 1.218 0.813 4.030 1.00 0.00 N ATOM 44 CA ASP A 5 0.994 2.199 3.620 1.00 0.00 C ATOM 45 C ASP A 5 -0.373 2.342 2.971 1.00 0.00 C ATOM 46 O ASP A 5 -0.742 1.525 2.142 1.00 0.00 O ATOM 47 CB ASP A 5 2.049 2.650 2.616 1.00 0.00 C ATOM 48 CG ASP A 5 2.103 4.157 2.478 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.302 4.714 1.704 1.00 0.00 O ATOM 50 OD2 ASP A 5 2.928 4.795 3.159 1.00 0.00 O ATOM 51 H ASP A 5 0.754 0.093 3.551 1.00 0.00 H ATOM 52 HA ASP A 5 1.041 2.827 4.498 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.019 2.298 2.934 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.811 2.226 1.648 1.00 0.00 H ATOM 55 N PRO A 6 -1.142 3.385 3.309 1.00 0.00 N ATOM 56 CA PRO A 6 -2.469 3.609 2.719 1.00 0.00 C ATOM 57 C PRO A 6 -2.420 3.771 1.192 1.00 0.00 C ATOM 58 O PRO A 6 -3.419 3.572 0.503 1.00 0.00 O ATOM 59 CB PRO A 6 -2.946 4.911 3.376 1.00 0.00 C ATOM 60 CG PRO A 6 -1.713 5.557 3.914 1.00 0.00 C ATOM 61 CD PRO A 6 -0.783 4.435 4.276 1.00 0.00 C ATOM 62 HA PRO A 6 -3.148 2.808 2.969 1.00 0.00 H ATOM 63 HB2 PRO A 6 -3.427 5.533 2.638 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.644 4.680 4.168 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.266 6.182 3.155 1.00 0.00 H ATOM 66 HG3 PRO A 6 -1.955 6.140 4.788 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.245 4.740 4.153 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.964 4.105 5.288 1.00 0.00 H ATOM 69 N ARG A 7 -1.253 4.138 0.674 1.00 0.00 N ATOM 70 CA ARG A 7 -1.044 4.344 -0.734 1.00 0.00 C ATOM 71 C ARG A 7 -0.875 3.038 -1.488 1.00 0.00 C ATOM 72 O ARG A 7 -0.793 3.039 -2.711 1.00 0.00 O ATOM 73 CB ARG A 7 0.197 5.190 -0.917 1.00 0.00 C ATOM 74 CG ARG A 7 -0.042 6.684 -0.777 1.00 0.00 C ATOM 75 CD ARG A 7 1.267 7.440 -0.616 1.00 0.00 C ATOM 76 NE ARG A 7 2.034 6.962 0.536 1.00 0.00 N ATOM 77 CZ ARG A 7 3.154 7.525 0.982 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.646 8.606 0.385 1.00 0.00 N ATOM 79 NH2 ARG A 7 3.781 7.005 2.030 1.00 0.00 N ATOM 80 H ARG A 7 -0.491 4.281 1.263 1.00 0.00 H ATOM 81 HA ARG A 7 -1.894 4.877 -1.129 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.923 4.897 -0.173 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.595 4.988 -1.880 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.548 7.043 -1.661 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.660 6.860 0.092 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.857 7.309 -1.510 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.047 8.489 -0.481 1.00 0.00 H ATOM 88 HE ARG A 7 1.689 6.151 1.005 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.174 8.999 -0.406 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.487 9.028 0.721 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.405 6.174 2.489 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.622 7.418 2.376 1.00 0.00 H ATOM 93 N CYS A 8 -0.775 1.928 -0.772 1.00 0.00 N ATOM 94 CA CYS A 8 -0.577 0.645 -1.443 1.00 0.00 C ATOM 95 C CYS A 8 -1.076 -0.547 -0.616 1.00 0.00 C ATOM 96 O CYS A 8 -0.916 -1.699 -1.008 1.00 0.00 O ATOM 97 CB CYS A 8 0.916 0.490 -1.778 1.00 0.00 C ATOM 98 SG CYS A 8 1.338 -0.818 -2.982 1.00 0.00 S ATOM 99 H CYS A 8 -0.799 1.981 0.205 1.00 0.00 H ATOM 100 HA CYS A 8 -1.145 0.681 -2.350 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.278 1.423 -2.180 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.453 0.275 -0.863 1.00 0.00 H ATOM 103 N ALA A 9 -1.677 -0.261 0.522 1.00 0.00 N ATOM 104 CA ALA A 9 -2.196 -1.299 1.425 1.00 0.00 C ATOM 105 C ALA A 9 -3.204 -2.206 0.737 1.00 0.00 C ATOM 106 O ALA A 9 -3.328 -3.389 1.056 1.00 0.00 O ATOM 107 CB ALA A 9 -2.821 -0.668 2.660 1.00 0.00 C ATOM 108 H ALA A 9 -1.763 0.681 0.773 1.00 0.00 H ATOM 109 HA ALA A 9 -1.365 -1.896 1.741 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.605 -1.278 3.525 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.891 -0.601 2.527 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.413 0.321 2.806 1.00 0.00 H ATOM 113 N TRP A 10 -3.915 -1.628 -0.202 1.00 0.00 N ATOM 114 CA TRP A 10 -4.934 -2.326 -0.974 1.00 0.00 C ATOM 115 C TRP A 10 -4.319 -3.406 -1.856 1.00 0.00 C ATOM 116 O TRP A 10 -4.984 -4.363 -2.240 1.00 0.00 O ATOM 117 CB TRP A 10 -5.751 -1.319 -1.792 1.00 0.00 C ATOM 118 CG TRP A 10 -4.991 -0.076 -2.105 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.774 0.952 -1.247 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.380 0.295 -3.343 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.013 1.915 -1.846 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.775 1.548 -3.139 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.270 -0.307 -4.598 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.073 2.210 -4.131 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.575 0.357 -5.593 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.981 1.604 -5.353 1.00 0.00 C ATOM 127 H TRP A 10 -3.748 -0.687 -0.384 1.00 0.00 H ATOM 128 HA TRP A 10 -5.583 -2.804 -0.270 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.058 -1.771 -2.719 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.621 -1.029 -1.221 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.126 0.964 -0.228 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.703 2.742 -1.422 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.720 -1.270 -4.799 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.604 3.171 -3.947 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.482 -0.088 -6.572 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.449 2.087 -6.160 1.00 0.00 H ATOM 137 N ARG A 11 -3.034 -3.265 -2.127 1.00 0.00 N ATOM 138 CA ARG A 11 -2.301 -4.249 -2.919 1.00 0.00 C ATOM 139 C ARG A 11 -1.679 -5.286 -1.990 1.00 0.00 C ATOM 140 O ARG A 11 -0.647 -5.880 -2.298 1.00 0.00 O ATOM 141 CB ARG A 11 -1.193 -3.584 -3.735 1.00 0.00 C ATOM 142 CG ARG A 11 -1.687 -2.679 -4.848 1.00 0.00 C ATOM 143 CD ARG A 11 -0.521 -2.009 -5.554 1.00 0.00 C ATOM 144 NE ARG A 11 -0.954 -1.119 -6.632 1.00 0.00 N ATOM 145 CZ ARG A 11 -0.133 -0.308 -7.297 1.00 0.00 C ATOM 146 NH1 ARG A 11 1.157 -0.256 -6.973 1.00 0.00 N ATOM 147 NH2 ARG A 11 -0.601 0.459 -8.279 1.00 0.00 N ATOM 148 H ARG A 11 -2.556 -2.498 -1.751 1.00 0.00 H ATOM 149 HA ARG A 11 -2.999 -4.735 -3.585 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.582 -2.990 -3.071 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.578 -4.354 -4.177 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.240 -3.270 -5.563 1.00 0.00 H ATOM 153 HG3 ARG A 11 -2.329 -1.920 -4.428 1.00 0.00 H ATOM 154 HD2 ARG A 11 0.035 -1.433 -4.831 1.00 0.00 H ATOM 155 HD3 ARG A 11 0.118 -2.775 -5.969 1.00 0.00 H ATOM 156 HE ARG A 11 -1.907 -1.134 -6.870 1.00 0.00 H ATOM 157 HH11 ARG A 11 1.509 -0.826 -6.226 1.00 0.00 H ATOM 158 HH12 ARG A 11 1.780 0.352 -7.467 1.00 0.00 H ATOM 159 HH21 ARG A 11 -1.572 0.431 -8.521 1.00 0.00 H ATOM 160 HH22 ARG A 11 0.017 1.072 -8.779 1.00 0.00 H ATOM 161 N CYS A 12 -2.306 -5.478 -0.840 1.00 0.00 N ATOM 162 CA CYS A 12 -1.818 -6.416 0.156 1.00 0.00 C ATOM 163 C CYS A 12 -2.982 -6.962 0.976 1.00 0.00 C ATOM 164 O CYS A 12 -2.918 -8.070 1.504 1.00 0.00 O ATOM 165 CB CYS A 12 -0.804 -5.708 1.061 1.00 0.00 C ATOM 166 SG CYS A 12 -0.125 -6.727 2.410 1.00 0.00 S ATOM 167 H CYS A 12 -3.113 -4.959 -0.649 1.00 0.00 H ATOM 168 HA CYS A 12 -1.331 -7.232 -0.356 1.00 0.00 H ATOM 169 HB2 CYS A 12 0.026 -5.375 0.459 1.00 0.00 H ATOM 170 HB3 CYS A 12 -1.279 -4.847 1.510 1.00 0.00 H HETATM 171 N NH2 A 13 -4.053 -6.185 1.072 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.934 -6.592 0.936 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -3.918 -5.233 1.274 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 5 ATOM 1 N GLY A 1 6.260 -0.498 4.000 1.00 0.00 N ATOM 2 CA GLY A 1 6.242 -1.006 2.603 1.00 0.00 C ATOM 3 C GLY A 1 4.917 -0.715 1.941 1.00 0.00 C ATOM 4 O GLY A 1 4.188 0.141 2.419 1.00 0.00 O ATOM 5 H1 GLY A 1 5.654 -1.093 4.606 1.00 0.00 H ATOM 6 H2 GLY A 1 5.892 0.477 4.023 1.00 0.00 H ATOM 7 H3 GLY A 1 7.228 -0.504 4.374 1.00 0.00 H ATOM 8 HA2 GLY A 1 7.029 -0.530 2.040 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.407 -2.074 2.611 1.00 0.00 H ATOM 10 N CYS A 2 4.599 -1.421 0.860 1.00 0.00 N ATOM 11 CA CYS A 2 3.335 -1.203 0.160 1.00 0.00 C ATOM 12 C CYS A 2 2.151 -1.544 1.053 1.00 0.00 C ATOM 13 O CYS A 2 1.234 -0.750 1.207 1.00 0.00 O ATOM 14 CB CYS A 2 3.279 -2.034 -1.125 1.00 0.00 C ATOM 15 SG CYS A 2 3.258 -1.045 -2.656 1.00 0.00 S ATOM 16 H CYS A 2 5.220 -2.098 0.523 1.00 0.00 H ATOM 17 HA CYS A 2 3.281 -0.163 -0.095 1.00 0.00 H ATOM 18 HB2 CYS A 2 4.143 -2.680 -1.165 1.00 0.00 H ATOM 19 HB3 CYS A 2 2.386 -2.640 -1.112 1.00 0.00 H HETATM 20 N ABA A 3 2.187 -2.726 1.644 1.00 0.00 N HETATM 21 CA ABA A 3 1.111 -3.174 2.525 1.00 0.00 C HETATM 22 C ABA A 3 0.990 -2.257 3.742 1.00 0.00 C HETATM 23 O ABA A 3 -0.108 -1.955 4.195 1.00 0.00 O HETATM 24 CB ABA A 3 1.349 -4.619 2.971 1.00 0.00 C HETATM 25 CG ABA A 3 0.191 -5.209 3.751 1.00 0.00 C HETATM 26 H ABA A 3 2.949 -3.310 1.481 1.00 0.00 H HETATM 27 HA ABA A 3 0.188 -3.128 1.966 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.227 -4.656 3.601 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.511 -5.236 2.101 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.361 -4.415 4.231 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.570 -5.889 4.499 1.00 0.00 H ATOM 32 N SER A 4 2.129 -1.815 4.257 1.00 0.00 N ATOM 33 CA SER A 4 2.160 -0.931 5.410 1.00 0.00 C ATOM 34 C SER A 4 2.084 0.540 4.989 1.00 0.00 C ATOM 35 O SER A 4 2.765 1.392 5.561 1.00 0.00 O ATOM 36 CB SER A 4 3.442 -1.196 6.198 1.00 0.00 C ATOM 37 OG SER A 4 4.358 -1.984 5.438 1.00 0.00 O ATOM 38 H SER A 4 2.972 -2.081 3.853 1.00 0.00 H ATOM 39 HA SER A 4 1.310 -1.162 6.033 1.00 0.00 H ATOM 40 HB2 SER A 4 3.912 -0.257 6.439 1.00 0.00 H ATOM 41 HB3 SER A 4 3.200 -1.724 7.107 1.00 0.00 H ATOM 42 HG SER A 4 4.452 -2.848 5.862 1.00 0.00 H ATOM 43 N ASP A 5 1.263 0.824 3.986 1.00 0.00 N ATOM 44 CA ASP A 5 1.096 2.183 3.476 1.00 0.00 C ATOM 45 C ASP A 5 -0.291 2.331 2.875 1.00 0.00 C ATOM 46 O ASP A 5 -0.645 1.587 1.976 1.00 0.00 O ATOM 47 CB ASP A 5 2.149 2.465 2.400 1.00 0.00 C ATOM 48 CG ASP A 5 2.207 3.918 1.944 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.213 4.657 2.104 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.249 4.318 1.387 1.00 0.00 O ATOM 51 H ASP A 5 0.753 0.097 3.568 1.00 0.00 H ATOM 52 HA ASP A 5 1.214 2.877 4.294 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.122 2.193 2.780 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.925 1.851 1.536 1.00 0.00 H ATOM 55 N PRO A 6 -1.098 3.295 3.337 1.00 0.00 N ATOM 56 CA PRO A 6 -2.448 3.516 2.799 1.00 0.00 C ATOM 57 C PRO A 6 -2.437 3.769 1.287 1.00 0.00 C ATOM 58 O PRO A 6 -3.449 3.601 0.606 1.00 0.00 O ATOM 59 CB PRO A 6 -2.942 4.761 3.550 1.00 0.00 C ATOM 60 CG PRO A 6 -1.720 5.381 4.142 1.00 0.00 C ATOM 61 CD PRO A 6 -0.765 4.252 4.401 1.00 0.00 C ATOM 62 HA PRO A 6 -3.097 2.681 3.017 1.00 0.00 H ATOM 63 HB2 PRO A 6 -3.426 5.431 2.856 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.642 4.466 4.317 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.288 6.083 3.443 1.00 0.00 H ATOM 66 HG3 PRO A 6 -1.971 5.879 5.067 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.256 4.590 4.313 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.943 3.822 5.376 1.00 0.00 H ATOM 69 N ARG A 7 -1.279 4.168 0.775 1.00 0.00 N ATOM 70 CA ARG A 7 -1.084 4.452 -0.617 1.00 0.00 C ATOM 71 C ARG A 7 -0.933 3.188 -1.446 1.00 0.00 C ATOM 72 O ARG A 7 -0.913 3.258 -2.667 1.00 0.00 O ATOM 73 CB ARG A 7 0.163 5.295 -0.757 1.00 0.00 C ATOM 74 CG ARG A 7 -0.036 6.757 -0.401 1.00 0.00 C ATOM 75 CD ARG A 7 1.274 7.523 -0.449 1.00 0.00 C ATOM 76 NE ARG A 7 2.317 6.869 0.339 1.00 0.00 N ATOM 77 CZ ARG A 7 3.538 7.360 0.530 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.862 8.560 0.055 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.427 6.647 1.202 1.00 0.00 N ATOM 80 H ARG A 7 -0.510 4.273 1.362 1.00 0.00 H ATOM 81 HA ARG A 7 -1.931 5.015 -0.972 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.924 4.892 -0.102 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.503 5.221 -1.757 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.725 7.198 -1.107 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.446 6.823 0.596 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.601 7.591 -1.476 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.110 8.517 -0.059 1.00 0.00 H ATOM 88 HE ARG A 7 2.097 5.983 0.737 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.188 9.098 -0.451 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.782 8.927 0.200 1.00 0.00 H ATOM 91 HH21 ARG A 7 4.168 5.730 1.557 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.347 6.998 1.361 1.00 0.00 H ATOM 93 N CYS A 8 -0.783 2.044 -0.791 1.00 0.00 N ATOM 94 CA CYS A 8 -0.600 0.786 -1.516 1.00 0.00 C ATOM 95 C CYS A 8 -1.005 -0.441 -0.683 1.00 0.00 C ATOM 96 O CYS A 8 -0.724 -1.584 -1.051 1.00 0.00 O ATOM 97 CB CYS A 8 0.867 0.688 -1.952 1.00 0.00 C ATOM 98 SG CYS A 8 1.282 -0.734 -3.018 1.00 0.00 S ATOM 99 H CYS A 8 -0.759 2.054 0.186 1.00 0.00 H ATOM 100 HA CYS A 8 -1.230 0.830 -2.384 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.126 1.584 -2.491 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.485 0.623 -1.067 1.00 0.00 H ATOM 103 N ALA A 9 -1.659 -0.196 0.435 1.00 0.00 N ATOM 104 CA ALA A 9 -2.099 -1.265 1.344 1.00 0.00 C ATOM 105 C ALA A 9 -3.069 -2.222 0.674 1.00 0.00 C ATOM 106 O ALA A 9 -3.085 -3.419 0.946 1.00 0.00 O ATOM 107 CB ALA A 9 -2.731 -0.671 2.594 1.00 0.00 C ATOM 108 H ALA A 9 -1.834 0.735 0.672 1.00 0.00 H ATOM 109 HA ALA A 9 -1.230 -1.815 1.640 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.100 -0.870 3.446 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.702 -1.117 2.752 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.841 0.397 2.470 1.00 0.00 H ATOM 113 N TRP A 10 -3.870 -1.671 -0.204 1.00 0.00 N ATOM 114 CA TRP A 10 -4.875 -2.421 -0.952 1.00 0.00 C ATOM 115 C TRP A 10 -4.247 -3.491 -1.840 1.00 0.00 C ATOM 116 O TRP A 10 -4.919 -4.409 -2.301 1.00 0.00 O ATOM 117 CB TRP A 10 -5.722 -1.446 -1.775 1.00 0.00 C ATOM 118 CG TRP A 10 -4.990 -0.186 -2.092 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.898 0.901 -1.283 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.268 0.132 -3.285 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.117 1.857 -1.868 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.733 1.420 -3.104 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.007 -0.540 -4.481 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -2.957 2.048 -4.062 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.237 0.088 -5.443 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.716 1.372 -5.227 1.00 0.00 C ATOM 127 H TRP A 10 -3.783 -0.715 -0.359 1.00 0.00 H ATOM 128 HA TRP A 10 -5.506 -2.906 -0.235 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.009 -1.914 -2.702 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.604 -1.180 -1.211 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.352 0.960 -0.306 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.882 2.723 -1.474 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.400 -1.530 -4.665 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.540 3.036 -3.893 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.025 -0.413 -6.375 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.119 1.826 -6.004 1.00 0.00 H ATOM 137 N ARG A 11 -2.950 -3.369 -2.058 1.00 0.00 N ATOM 138 CA ARG A 11 -2.215 -4.328 -2.873 1.00 0.00 C ATOM 139 C ARG A 11 -1.951 -5.623 -2.111 1.00 0.00 C ATOM 140 O ARG A 11 -1.759 -6.673 -2.718 1.00 0.00 O ATOM 141 CB ARG A 11 -0.896 -3.734 -3.369 1.00 0.00 C ATOM 142 CG ARG A 11 -1.068 -2.744 -4.509 1.00 0.00 C ATOM 143 CD ARG A 11 -1.778 -3.384 -5.690 1.00 0.00 C ATOM 144 NE ARG A 11 -1.079 -4.577 -6.173 1.00 0.00 N ATOM 145 CZ ARG A 11 -1.547 -5.385 -7.123 1.00 0.00 C ATOM 146 NH1 ARG A 11 -2.723 -5.135 -7.694 1.00 0.00 N ATOM 147 NH2 ARG A 11 -0.842 -6.447 -7.501 1.00 0.00 N ATOM 148 H ARG A 11 -2.474 -2.620 -1.646 1.00 0.00 H ATOM 149 HA ARG A 11 -2.830 -4.560 -3.724 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.414 -3.224 -2.548 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.259 -4.536 -3.709 1.00 0.00 H ATOM 152 HG2 ARG A 11 -1.652 -1.906 -4.160 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.094 -2.402 -4.826 1.00 0.00 H ATOM 154 HD2 ARG A 11 -2.777 -3.663 -5.388 1.00 0.00 H ATOM 155 HD3 ARG A 11 -1.836 -2.663 -6.493 1.00 0.00 H ATOM 156 HE ARG A 11 -0.210 -4.781 -5.760 1.00 0.00 H ATOM 157 HH11 ARG A 11 -3.259 -4.338 -7.409 1.00 0.00 H ATOM 158 HH12 ARG A 11 -3.080 -5.741 -8.407 1.00 0.00 H ATOM 159 HH21 ARG A 11 0.044 -6.642 -7.071 1.00 0.00 H ATOM 160 HH22 ARG A 11 -1.191 -7.060 -8.212 1.00 0.00 H ATOM 161 N CYS A 12 -1.943 -5.544 -0.789 1.00 0.00 N ATOM 162 CA CYS A 12 -1.704 -6.723 0.036 1.00 0.00 C ATOM 163 C CYS A 12 -3.011 -7.236 0.631 1.00 0.00 C ATOM 164 O CYS A 12 -3.014 -8.145 1.461 1.00 0.00 O ATOM 165 CB CYS A 12 -0.696 -6.419 1.152 1.00 0.00 C ATOM 166 SG CYS A 12 -1.281 -5.222 2.396 1.00 0.00 S ATOM 167 H CYS A 12 -2.110 -4.678 -0.358 1.00 0.00 H ATOM 168 HA CYS A 12 -1.294 -7.491 -0.604 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.460 -7.337 1.670 1.00 0.00 H ATOM 170 HB3 CYS A 12 0.205 -6.021 0.711 1.00 0.00 H HETATM 171 N NH2 A 13 -4.124 -6.654 0.204 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.897 -6.642 0.805 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -4.125 -6.260 -0.692 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 6 ATOM 1 N GLY A 1 6.214 0.706 3.671 1.00 0.00 N ATOM 2 CA GLY A 1 6.122 -0.368 2.646 1.00 0.00 C ATOM 3 C GLY A 1 4.765 -0.359 1.991 1.00 0.00 C ATOM 4 O GLY A 1 3.848 0.216 2.547 1.00 0.00 O ATOM 5 H1 GLY A 1 6.350 0.291 4.614 1.00 0.00 H ATOM 6 H2 GLY A 1 5.330 1.263 3.676 1.00 0.00 H ATOM 7 H3 GLY A 1 7.009 1.340 3.460 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.879 -0.208 1.894 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.285 -1.326 3.118 1.00 0.00 H ATOM 10 N CYS A 2 4.634 -0.974 0.816 1.00 0.00 N ATOM 11 CA CYS A 2 3.352 -0.998 0.104 1.00 0.00 C ATOM 12 C CYS A 2 2.220 -1.490 0.999 1.00 0.00 C ATOM 13 O CYS A 2 1.211 -0.815 1.161 1.00 0.00 O ATOM 14 CB CYS A 2 3.448 -1.866 -1.159 1.00 0.00 C ATOM 15 SG CYS A 2 1.837 -2.416 -1.819 1.00 0.00 S ATOM 16 H CYS A 2 5.413 -1.409 0.412 1.00 0.00 H ATOM 17 HA CYS A 2 3.130 0.010 -0.188 1.00 0.00 H ATOM 18 HB2 CYS A 2 3.943 -1.304 -1.936 1.00 0.00 H ATOM 19 HB3 CYS A 2 4.030 -2.748 -0.935 1.00 0.00 H HETATM 20 N ABA A 3 2.402 -2.660 1.585 1.00 0.00 N HETATM 21 CA ABA A 3 1.391 -3.240 2.464 1.00 0.00 C HETATM 22 C ABA A 3 1.150 -2.356 3.687 1.00 0.00 C HETATM 23 O ABA A 3 0.015 -2.160 4.107 1.00 0.00 O HETATM 24 CB ABA A 3 1.812 -4.644 2.902 1.00 0.00 C HETATM 25 CG ABA A 3 0.751 -5.381 3.696 1.00 0.00 C HETATM 26 H ABA A 3 3.229 -3.145 1.418 1.00 0.00 H HETATM 27 HA ABA A 3 0.471 -3.311 1.904 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.696 -4.571 3.518 1.00 0.00 H HETATM 29 HB2 ABA A 3 2.038 -5.235 2.028 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.137 -4.770 3.762 1.00 0.00 H HETATM 31 HG2 ABA A 3 1.122 -5.586 4.689 1.00 0.00 H ATOM 32 N SER A 4 2.229 -1.834 4.251 1.00 0.00 N ATOM 33 CA SER A 4 2.151 -0.981 5.426 1.00 0.00 C ATOM 34 C SER A 4 2.013 0.500 5.055 1.00 0.00 C ATOM 35 O SER A 4 2.635 1.359 5.682 1.00 0.00 O ATOM 36 CB SER A 4 3.406 -1.202 6.267 1.00 0.00 C ATOM 37 OG SER A 4 4.436 -1.814 5.494 1.00 0.00 O ATOM 38 H SER A 4 3.107 -2.027 3.877 1.00 0.00 H ATOM 39 HA SER A 4 1.289 -1.279 5.999 1.00 0.00 H ATOM 40 HB2 SER A 4 3.763 -0.251 6.624 1.00 0.00 H ATOM 41 HB3 SER A 4 3.172 -1.841 7.104 1.00 0.00 H ATOM 42 HG SER A 4 4.781 -2.574 5.977 1.00 0.00 H ATOM 43 N ASP A 5 1.210 0.795 4.038 1.00 0.00 N ATOM 44 CA ASP A 5 1.007 2.175 3.602 1.00 0.00 C ATOM 45 C ASP A 5 -0.361 2.327 2.961 1.00 0.00 C ATOM 46 O ASP A 5 -0.744 1.512 2.134 1.00 0.00 O ATOM 47 CB ASP A 5 2.061 2.578 2.575 1.00 0.00 C ATOM 48 CG ASP A 5 2.191 4.080 2.439 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.360 4.690 1.737 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.110 4.661 3.047 1.00 0.00 O ATOM 51 H ASP A 5 0.742 0.072 3.569 1.00 0.00 H ATOM 52 HA ASP A 5 1.076 2.822 4.461 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.019 2.176 2.870 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.782 2.170 1.612 1.00 0.00 H ATOM 55 N PRO A 6 -1.119 3.377 3.303 1.00 0.00 N ATOM 56 CA PRO A 6 -2.446 3.612 2.720 1.00 0.00 C ATOM 57 C PRO A 6 -2.397 3.790 1.197 1.00 0.00 C ATOM 58 O PRO A 6 -3.402 3.625 0.507 1.00 0.00 O ATOM 59 CB PRO A 6 -2.916 4.907 3.397 1.00 0.00 C ATOM 60 CG PRO A 6 -1.676 5.549 3.920 1.00 0.00 C ATOM 61 CD PRO A 6 -0.743 4.425 4.266 1.00 0.00 C ATOM 62 HA PRO A 6 -3.129 2.811 2.963 1.00 0.00 H ATOM 63 HB2 PRO A 6 -3.408 5.537 2.669 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.603 4.669 4.195 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.239 6.178 3.160 1.00 0.00 H ATOM 66 HG3 PRO A 6 -1.906 6.129 4.801 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.284 4.728 4.127 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.908 4.093 5.280 1.00 0.00 H ATOM 69 N ARG A 7 -1.221 4.135 0.684 1.00 0.00 N ATOM 70 CA ARG A 7 -1.008 4.351 -0.722 1.00 0.00 C ATOM 71 C ARG A 7 -0.868 3.051 -1.491 1.00 0.00 C ATOM 72 O ARG A 7 -0.780 3.067 -2.712 1.00 0.00 O ATOM 73 CB ARG A 7 0.249 5.176 -0.896 1.00 0.00 C ATOM 74 CG ARG A 7 0.029 6.673 -0.768 1.00 0.00 C ATOM 75 CD ARG A 7 1.346 7.416 -0.610 1.00 0.00 C ATOM 76 NE ARG A 7 2.110 6.931 0.541 1.00 0.00 N ATOM 77 CZ ARG A 7 3.228 7.494 0.995 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.710 8.587 0.412 1.00 0.00 N ATOM 79 NH2 ARG A 7 3.860 6.963 2.033 1.00 0.00 N ATOM 80 H ARG A 7 -0.456 4.249 1.275 1.00 0.00 H ATOM 81 HA ARG A 7 -1.847 4.905 -1.110 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.961 4.875 -0.141 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.657 4.960 -1.853 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.470 7.031 -1.656 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.588 6.863 0.097 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.934 7.277 -1.504 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.138 8.467 -0.475 1.00 0.00 H ATOM 88 HE ARG A 7 1.768 6.115 1.003 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.235 8.990 -0.371 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.550 9.009 0.753 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.491 6.123 2.479 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.697 7.378 2.385 1.00 0.00 H ATOM 93 N CYS A 8 -0.804 1.929 -0.787 1.00 0.00 N ATOM 94 CA CYS A 8 -0.643 0.645 -1.468 1.00 0.00 C ATOM 95 C CYS A 8 -1.134 -0.540 -0.626 1.00 0.00 C ATOM 96 O CYS A 8 -0.966 -1.696 -1.005 1.00 0.00 O ATOM 97 CB CYS A 8 0.836 0.469 -1.848 1.00 0.00 C ATOM 98 SG CYS A 8 1.206 -0.891 -3.008 1.00 0.00 S ATOM 99 H CYS A 8 -0.835 1.972 0.190 1.00 0.00 H ATOM 100 HA CYS A 8 -1.237 0.691 -2.359 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.186 1.382 -2.302 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.404 0.291 -0.945 1.00 0.00 H ATOM 103 N ALA A 9 -1.741 -0.245 0.507 1.00 0.00 N ATOM 104 CA ALA A 9 -2.255 -1.281 1.416 1.00 0.00 C ATOM 105 C ALA A 9 -3.251 -2.200 0.724 1.00 0.00 C ATOM 106 O ALA A 9 -3.365 -3.384 1.040 1.00 0.00 O ATOM 107 CB ALA A 9 -2.894 -0.648 2.642 1.00 0.00 C ATOM 108 H ALA A 9 -1.836 0.697 0.749 1.00 0.00 H ATOM 109 HA ALA A 9 -1.421 -1.870 1.740 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.777 -1.304 3.491 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.946 -0.484 2.457 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.415 0.298 2.849 1.00 0.00 H ATOM 113 N TRP A 10 -3.958 -1.628 -0.223 1.00 0.00 N ATOM 114 CA TRP A 10 -4.963 -2.334 -1.008 1.00 0.00 C ATOM 115 C TRP A 10 -4.333 -3.405 -1.887 1.00 0.00 C ATOM 116 O TRP A 10 -5.003 -4.331 -2.343 1.00 0.00 O ATOM 117 CB TRP A 10 -5.771 -1.329 -1.836 1.00 0.00 C ATOM 118 CG TRP A 10 -5.010 -0.083 -2.140 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.841 0.963 -1.293 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.344 0.270 -3.357 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.062 1.922 -1.877 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.759 1.530 -3.150 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.171 -0.356 -4.594 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.017 2.179 -4.122 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.433 0.294 -5.569 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.862 1.550 -5.327 1.00 0.00 C ATOM 127 H TRP A 10 -3.795 -0.687 -0.406 1.00 0.00 H ATOM 128 HA TRP A 10 -5.620 -2.816 -0.312 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.062 -1.783 -2.769 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.652 -1.043 -1.280 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.240 0.992 -0.291 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.778 2.760 -1.456 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.603 -1.324 -4.796 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.563 3.147 -3.937 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.289 -0.172 -6.533 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.296 2.021 -6.116 1.00 0.00 H ATOM 137 N ARG A 11 -3.034 -3.288 -2.093 1.00 0.00 N ATOM 138 CA ARG A 11 -2.284 -4.256 -2.883 1.00 0.00 C ATOM 139 C ARG A 11 -1.609 -5.268 -1.966 1.00 0.00 C ATOM 140 O ARG A 11 -0.580 -5.847 -2.307 1.00 0.00 O ATOM 141 CB ARG A 11 -1.236 -3.556 -3.752 1.00 0.00 C ATOM 142 CG ARG A 11 -1.811 -2.853 -4.973 1.00 0.00 C ATOM 143 CD ARG A 11 -2.109 -3.829 -6.109 1.00 0.00 C ATOM 144 NE ARG A 11 -3.105 -4.846 -5.746 1.00 0.00 N ATOM 145 CZ ARG A 11 -4.405 -4.599 -5.549 1.00 0.00 C ATOM 146 NH1 ARG A 11 -4.891 -3.374 -5.722 1.00 0.00 N ATOM 147 NH2 ARG A 11 -5.219 -5.586 -5.188 1.00 0.00 N ATOM 148 H ARG A 11 -2.559 -2.540 -1.674 1.00 0.00 H ATOM 149 HA ARG A 11 -2.983 -4.776 -3.522 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.724 -2.818 -3.151 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.518 -4.288 -4.090 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.727 -2.358 -4.690 1.00 0.00 H ATOM 153 HG3 ARG A 11 -1.098 -2.119 -5.321 1.00 0.00 H ATOM 154 HD2 ARG A 11 -2.478 -3.270 -6.954 1.00 0.00 H ATOM 155 HD3 ARG A 11 -1.189 -4.325 -6.385 1.00 0.00 H ATOM 156 HE ARG A 11 -2.776 -5.766 -5.630 1.00 0.00 H ATOM 157 HH11 ARG A 11 -4.285 -2.627 -6.003 1.00 0.00 H ATOM 158 HH12 ARG A 11 -5.863 -3.191 -5.571 1.00 0.00 H ATOM 159 HH21 ARG A 11 -4.862 -6.514 -5.062 1.00 0.00 H ATOM 160 HH22 ARG A 11 -6.191 -5.405 -5.027 1.00 0.00 H ATOM 161 N CYS A 12 -2.202 -5.471 -0.799 1.00 0.00 N ATOM 162 CA CYS A 12 -1.671 -6.403 0.184 1.00 0.00 C ATOM 163 C CYS A 12 -2.803 -6.974 1.029 1.00 0.00 C ATOM 164 O CYS A 12 -2.739 -8.115 1.484 1.00 0.00 O ATOM 165 CB CYS A 12 -0.646 -5.692 1.072 1.00 0.00 C ATOM 166 SG CYS A 12 0.085 -6.731 2.380 1.00 0.00 S ATOM 167 H CYS A 12 -3.019 -4.974 -0.588 1.00 0.00 H ATOM 168 HA CYS A 12 -1.184 -7.208 -0.346 1.00 0.00 H ATOM 169 HB2 CYS A 12 0.162 -5.330 0.455 1.00 0.00 H ATOM 170 HB3 CYS A 12 -1.124 -4.849 1.552 1.00 0.00 H HETATM 171 N NH2 A 13 -3.852 -6.185 1.227 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.739 -6.595 1.253 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -3.692 -5.222 1.342 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 7 ATOM 1 N GLY A 1 5.754 -5.928 2.485 1.00 0.00 N ATOM 2 CA GLY A 1 4.412 -5.867 1.852 1.00 0.00 C ATOM 3 C GLY A 1 3.979 -4.438 1.615 1.00 0.00 C ATOM 4 O GLY A 1 4.362 -3.551 2.371 1.00 0.00 O ATOM 5 H1 GLY A 1 6.475 -6.163 1.775 1.00 0.00 H ATOM 6 H2 GLY A 1 5.766 -6.649 3.232 1.00 0.00 H ATOM 7 H3 GLY A 1 5.985 -5.003 2.907 1.00 0.00 H ATOM 8 HA2 GLY A 1 4.443 -6.386 0.906 1.00 0.00 H ATOM 9 HA3 GLY A 1 3.694 -6.352 2.497 1.00 0.00 H ATOM 10 N CYS A 2 3.194 -4.212 0.568 1.00 0.00 N ATOM 11 CA CYS A 2 2.719 -2.867 0.238 1.00 0.00 C ATOM 12 C CYS A 2 1.646 -2.418 1.227 1.00 0.00 C ATOM 13 O CYS A 2 1.297 -1.246 1.281 1.00 0.00 O ATOM 14 CB CYS A 2 2.165 -2.838 -1.186 1.00 0.00 C ATOM 15 SG CYS A 2 2.759 -1.449 -2.205 1.00 0.00 S ATOM 16 H CYS A 2 2.925 -4.963 -0.002 1.00 0.00 H ATOM 17 HA CYS A 2 3.560 -2.194 0.304 1.00 0.00 H ATOM 18 HB2 CYS A 2 2.444 -3.751 -1.690 1.00 0.00 H ATOM 19 HB3 CYS A 2 1.087 -2.774 -1.142 1.00 0.00 H HETATM 20 N ABA A 3 1.135 -3.371 2.003 1.00 0.00 N HETATM 21 CA ABA A 3 0.097 -3.106 3.002 1.00 0.00 C HETATM 22 C ABA A 3 0.548 -2.042 4.005 1.00 0.00 C HETATM 23 O ABA A 3 -0.274 -1.336 4.581 1.00 0.00 O HETATM 24 CB ABA A 3 -0.252 -4.400 3.737 1.00 0.00 C HETATM 25 CG ABA A 3 -1.501 -4.310 4.585 1.00 0.00 C HETATM 26 H ABA A 3 1.462 -4.285 1.900 1.00 0.00 H HETATM 27 HA ABA A 3 -0.780 -2.748 2.485 1.00 0.00 H HETATM 28 HB3 ABA A 3 0.567 -4.672 4.383 1.00 0.00 H HETATM 29 HB2 ABA A 3 -0.405 -5.185 3.013 1.00 0.00 H HETATM 30 HG1 ABA A 3 -1.915 -3.316 4.510 1.00 0.00 H HETATM 31 HG2 ABA A 3 -1.252 -4.520 5.616 1.00 0.00 H ATOM 32 N SER A 4 1.858 -1.945 4.202 1.00 0.00 N ATOM 33 CA SER A 4 2.441 -0.986 5.113 1.00 0.00 C ATOM 34 C SER A 4 2.191 0.447 4.636 1.00 0.00 C ATOM 35 O SER A 4 2.182 1.387 5.429 1.00 0.00 O ATOM 36 CB SER A 4 3.933 -1.266 5.207 1.00 0.00 C ATOM 37 OG SER A 4 4.171 -2.644 5.467 1.00 0.00 O ATOM 38 H SER A 4 2.463 -2.535 3.718 1.00 0.00 H ATOM 39 HA SER A 4 1.990 -1.122 6.085 1.00 0.00 H ATOM 40 HB2 SER A 4 4.411 -0.999 4.277 1.00 0.00 H ATOM 41 HB3 SER A 4 4.350 -0.688 6.003 1.00 0.00 H ATOM 42 HG SER A 4 4.082 -2.805 6.412 1.00 0.00 H ATOM 43 N ASP A 5 1.977 0.593 3.335 1.00 0.00 N ATOM 44 CA ASP A 5 1.712 1.891 2.735 1.00 0.00 C ATOM 45 C ASP A 5 0.216 2.166 2.767 1.00 0.00 C ATOM 46 O ASP A 5 -0.576 1.346 2.306 1.00 0.00 O ATOM 47 CB ASP A 5 2.186 1.907 1.282 1.00 0.00 C ATOM 48 CG ASP A 5 2.182 3.294 0.670 1.00 0.00 C ATOM 49 OD1 ASP A 5 3.037 4.124 1.034 1.00 0.00 O ATOM 50 OD2 ASP A 5 1.319 3.559 -0.186 1.00 0.00 O ATOM 51 H ASP A 5 1.981 -0.199 2.757 1.00 0.00 H ATOM 52 HA ASP A 5 2.235 2.648 3.298 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.188 1.511 1.230 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.521 1.279 0.697 1.00 0.00 H ATOM 55 N PRO A 6 -0.201 3.315 3.313 1.00 0.00 N ATOM 56 CA PRO A 6 -1.619 3.667 3.392 1.00 0.00 C ATOM 57 C PRO A 6 -2.252 3.825 2.011 1.00 0.00 C ATOM 58 O PRO A 6 -3.444 3.584 1.826 1.00 0.00 O ATOM 59 CB PRO A 6 -1.621 5.005 4.143 1.00 0.00 C ATOM 60 CG PRO A 6 -0.240 5.546 3.983 1.00 0.00 C ATOM 61 CD PRO A 6 0.666 4.353 3.894 1.00 0.00 C ATOM 62 HA PRO A 6 -2.175 2.934 3.958 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.357 5.663 3.704 1.00 0.00 H ATOM 64 HB3 PRO A 6 -1.859 4.836 5.183 1.00 0.00 H ATOM 65 HG2 PRO A 6 -0.179 6.132 3.077 1.00 0.00 H ATOM 66 HG3 PRO A 6 0.018 6.150 4.840 1.00 0.00 H ATOM 67 HD2 PRO A 6 1.505 4.561 3.247 1.00 0.00 H ATOM 68 HD3 PRO A 6 1.008 4.063 4.877 1.00 0.00 H ATOM 69 N ARG A 7 -1.438 4.239 1.046 1.00 0.00 N ATOM 70 CA ARG A 7 -1.883 4.438 -0.300 1.00 0.00 C ATOM 71 C ARG A 7 -1.989 3.099 -0.993 1.00 0.00 C ATOM 72 O ARG A 7 -3.020 2.773 -1.539 1.00 0.00 O ATOM 73 CB ARG A 7 -0.901 5.374 -1.010 1.00 0.00 C ATOM 74 CG ARG A 7 -0.661 5.084 -2.484 1.00 0.00 C ATOM 75 CD ARG A 7 0.647 5.713 -2.938 1.00 0.00 C ATOM 76 NE ARG A 7 1.740 5.381 -2.019 1.00 0.00 N ATOM 77 CZ ARG A 7 2.967 5.887 -2.078 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.310 6.714 -3.062 1.00 0.00 N ATOM 79 NH2 ARG A 7 3.855 5.559 -1.144 1.00 0.00 N ATOM 80 H ARG A 7 -0.503 4.401 1.243 1.00 0.00 H ATOM 81 HA ARG A 7 -2.859 4.900 -0.269 1.00 0.00 H ATOM 82 HB2 ARG A 7 -1.274 6.378 -0.931 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.048 5.321 -0.500 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.611 4.016 -2.632 1.00 0.00 H ATOM 85 HG3 ARG A 7 -1.472 5.497 -3.065 1.00 0.00 H ATOM 86 HD2 ARG A 7 0.889 5.346 -3.924 1.00 0.00 H ATOM 87 HD3 ARG A 7 0.527 6.786 -2.970 1.00 0.00 H ATOM 88 HE ARG A 7 1.530 4.739 -1.286 1.00 0.00 H ATOM 89 HH11 ARG A 7 2.642 6.959 -3.765 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.235 7.093 -3.103 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.589 4.929 -0.389 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.783 5.926 -1.173 1.00 0.00 H ATOM 93 N CYS A 8 -0.889 2.354 -0.968 1.00 0.00 N ATOM 94 CA CYS A 8 -0.777 1.039 -1.615 1.00 0.00 C ATOM 95 C CYS A 8 -1.351 -0.105 -0.769 1.00 0.00 C ATOM 96 O CYS A 8 -0.979 -1.269 -0.940 1.00 0.00 O ATOM 97 CB CYS A 8 0.703 0.773 -1.899 1.00 0.00 C ATOM 98 SG CYS A 8 1.059 -0.654 -2.983 1.00 0.00 S ATOM 99 H CYS A 8 -0.093 2.722 -0.509 1.00 0.00 H ATOM 100 HA CYS A 8 -1.321 1.088 -2.549 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.132 1.647 -2.365 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.196 0.599 -0.956 1.00 0.00 H ATOM 103 N ALA A 9 -2.246 0.235 0.128 1.00 0.00 N ATOM 104 CA ALA A 9 -2.886 -0.738 1.022 1.00 0.00 C ATOM 105 C ALA A 9 -3.541 -1.911 0.281 1.00 0.00 C ATOM 106 O ALA A 9 -3.690 -3.000 0.837 1.00 0.00 O ATOM 107 CB ALA A 9 -3.906 -0.041 1.908 1.00 0.00 C ATOM 108 H ALA A 9 -2.473 1.179 0.209 1.00 0.00 H ATOM 109 HA ALA A 9 -2.121 -1.136 1.655 1.00 0.00 H ATOM 110 HB1 ALA A 9 -4.648 0.442 1.292 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.407 0.699 2.517 1.00 0.00 H ATOM 112 HB3 ALA A 9 -4.385 -0.768 2.547 1.00 0.00 H ATOM 113 N TRP A 10 -3.931 -1.679 -0.962 1.00 0.00 N ATOM 114 CA TRP A 10 -4.578 -2.705 -1.796 1.00 0.00 C ATOM 115 C TRP A 10 -3.680 -3.918 -1.978 1.00 0.00 C ATOM 116 O TRP A 10 -4.143 -5.057 -2.004 1.00 0.00 O ATOM 117 CB TRP A 10 -4.990 -2.126 -3.161 1.00 0.00 C ATOM 118 CG TRP A 10 -4.466 -0.749 -3.369 1.00 0.00 C ATOM 119 CD1 TRP A 10 -5.060 0.387 -2.940 1.00 0.00 C ATOM 120 CD2 TRP A 10 -3.266 -0.351 -4.047 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.282 1.464 -3.250 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.180 1.045 -3.929 1.00 0.00 C ATOM 123 CE3 TRP A 10 -2.249 -1.028 -4.719 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -2.123 1.784 -4.443 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -1.198 -0.296 -5.246 1.00 0.00 C ATOM 126 CH2 TRP A 10 -1.138 1.099 -5.099 1.00 0.00 C ATOM 127 H TRP A 10 -3.780 -0.790 -1.331 1.00 0.00 H ATOM 128 HA TRP A 10 -5.455 -3.019 -1.276 1.00 0.00 H ATOM 129 HB2 TRP A 10 -4.614 -2.755 -3.951 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.069 -2.078 -3.215 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.998 0.413 -2.406 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.473 2.391 -3.013 1.00 0.00 H ATOM 133 HE3 TRP A 10 -2.277 -2.102 -4.841 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.053 2.862 -4.300 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -0.402 -0.801 -5.771 1.00 0.00 H ATOM 136 HH2 TRP A 10 -0.301 1.629 -5.527 1.00 0.00 H ATOM 137 N ARG A 11 -2.394 -3.666 -2.073 1.00 0.00 N ATOM 138 CA ARG A 11 -1.415 -4.733 -2.223 1.00 0.00 C ATOM 139 C ARG A 11 -0.972 -5.235 -0.852 1.00 0.00 C ATOM 140 O ARG A 11 0.224 -5.304 -0.552 1.00 0.00 O ATOM 141 CB ARG A 11 -0.207 -4.254 -3.029 1.00 0.00 C ATOM 142 CG ARG A 11 -0.520 -3.938 -4.480 1.00 0.00 C ATOM 143 CD ARG A 11 0.674 -3.302 -5.171 1.00 0.00 C ATOM 144 NE ARG A 11 1.807 -4.221 -5.289 1.00 0.00 N ATOM 145 CZ ARG A 11 3.045 -3.833 -5.595 1.00 0.00 C ATOM 146 NH1 ARG A 11 3.330 -2.539 -5.706 1.00 0.00 N ATOM 147 NH2 ARG A 11 4.006 -4.739 -5.765 1.00 0.00 N ATOM 148 H ARG A 11 -2.096 -2.736 -2.010 1.00 0.00 H ATOM 149 HA ARG A 11 -1.891 -5.543 -2.754 1.00 0.00 H ATOM 150 HB2 ARG A 11 0.185 -3.360 -2.566 1.00 0.00 H ATOM 151 HB3 ARG A 11 0.551 -5.021 -3.006 1.00 0.00 H ATOM 152 HG2 ARG A 11 -0.776 -4.853 -4.992 1.00 0.00 H ATOM 153 HG3 ARG A 11 -1.355 -3.253 -4.518 1.00 0.00 H ATOM 154 HD2 ARG A 11 0.375 -2.989 -6.161 1.00 0.00 H ATOM 155 HD3 ARG A 11 0.983 -2.438 -4.602 1.00 0.00 H ATOM 156 HE ARG A 11 1.623 -5.178 -5.163 1.00 0.00 H ATOM 157 HH11 ARG A 11 2.613 -1.852 -5.556 1.00 0.00 H ATOM 158 HH12 ARG A 11 4.257 -2.242 -5.936 1.00 0.00 H ATOM 159 HH21 ARG A 11 3.804 -5.714 -5.664 1.00 0.00 H ATOM 160 HH22 ARG A 11 4.938 -4.449 -5.997 1.00 0.00 H ATOM 161 N CYS A 12 -1.946 -5.569 -0.020 1.00 0.00 N ATOM 162 CA CYS A 12 -1.674 -6.050 1.325 1.00 0.00 C ATOM 163 C CYS A 12 -1.481 -7.561 1.325 1.00 0.00 C ATOM 164 O CYS A 12 -0.532 -8.075 1.915 1.00 0.00 O ATOM 165 CB CYS A 12 -2.818 -5.656 2.266 1.00 0.00 C ATOM 166 SG CYS A 12 -2.491 -5.959 4.034 1.00 0.00 S ATOM 167 H CYS A 12 -2.879 -5.478 -0.318 1.00 0.00 H ATOM 168 HA CYS A 12 -0.762 -5.582 1.666 1.00 0.00 H ATOM 169 HB2 CYS A 12 -3.022 -4.603 2.149 1.00 0.00 H ATOM 170 HB3 CYS A 12 -3.700 -6.217 1.997 1.00 0.00 H HETATM 171 N NH2 A 13 -2.372 -8.272 0.647 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -2.767 -7.874 -0.155 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -2.596 -9.166 0.977 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 8 ATOM 1 N GLY A 1 6.611 0.441 3.487 1.00 0.00 N ATOM 2 CA GLY A 1 6.237 -0.760 2.695 1.00 0.00 C ATOM 3 C GLY A 1 4.886 -0.584 2.046 1.00 0.00 C ATOM 4 O GLY A 1 4.052 0.137 2.577 1.00 0.00 O ATOM 5 H1 GLY A 1 7.413 0.930 3.043 1.00 0.00 H ATOM 6 H2 GLY A 1 6.875 0.166 4.453 1.00 0.00 H ATOM 7 H3 GLY A 1 5.800 1.096 3.534 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.979 -0.924 1.927 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.208 -1.620 3.350 1.00 0.00 H ATOM 10 N CYS A 2 4.674 -1.221 0.896 1.00 0.00 N ATOM 11 CA CYS A 2 3.406 -1.106 0.173 1.00 0.00 C ATOM 12 C CYS A 2 2.219 -1.510 1.043 1.00 0.00 C ATOM 13 O CYS A 2 1.249 -0.775 1.153 1.00 0.00 O ATOM 14 CB CYS A 2 3.442 -1.951 -1.110 1.00 0.00 C ATOM 15 SG CYS A 2 1.802 -2.340 -1.811 1.00 0.00 S ATOM 16 H CYS A 2 5.388 -1.772 0.515 1.00 0.00 H ATOM 17 HA CYS A 2 3.284 -0.075 -0.098 1.00 0.00 H ATOM 18 HB2 CYS A 2 3.999 -1.417 -1.864 1.00 0.00 H ATOM 19 HB3 CYS A 2 3.940 -2.886 -0.899 1.00 0.00 H HETATM 20 N ABA A 3 2.311 -2.676 1.657 1.00 0.00 N HETATM 21 CA ABA A 3 1.239 -3.187 2.513 1.00 0.00 C HETATM 22 C ABA A 3 0.992 -2.277 3.718 1.00 0.00 C HETATM 23 O ABA A 3 -0.145 -2.094 4.144 1.00 0.00 O HETATM 24 CB ABA A 3 1.579 -4.605 2.988 1.00 0.00 C HETATM 25 CG ABA A 3 0.466 -5.274 3.768 1.00 0.00 C HETATM 26 H ABA A 3 3.113 -3.213 1.524 1.00 0.00 H HETATM 27 HA ABA A 3 0.337 -3.227 1.921 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.451 -4.564 3.621 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.794 -5.221 2.128 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.489 -4.904 3.424 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.580 -5.052 4.819 1.00 0.00 H ATOM 32 N SER A 4 2.066 -1.739 4.275 1.00 0.00 N ATOM 33 CA SER A 4 1.992 -0.875 5.440 1.00 0.00 C ATOM 34 C SER A 4 1.466 0.525 5.103 1.00 0.00 C ATOM 35 O SER A 4 0.883 1.199 5.950 1.00 0.00 O ATOM 36 CB SER A 4 3.386 -0.770 6.048 1.00 0.00 C ATOM 37 OG SER A 4 4.256 -1.749 5.483 1.00 0.00 O ATOM 38 H SER A 4 2.945 -1.939 3.909 1.00 0.00 H ATOM 39 HA SER A 4 1.330 -1.335 6.159 1.00 0.00 H ATOM 40 HB2 SER A 4 3.791 0.211 5.857 1.00 0.00 H ATOM 41 HB3 SER A 4 3.323 -0.937 7.106 1.00 0.00 H ATOM 42 HG SER A 4 4.282 -2.518 6.064 1.00 0.00 H ATOM 43 N ASP A 5 1.710 0.968 3.879 1.00 0.00 N ATOM 44 CA ASP A 5 1.299 2.300 3.442 1.00 0.00 C ATOM 45 C ASP A 5 -0.109 2.285 2.867 1.00 0.00 C ATOM 46 O ASP A 5 -0.412 1.479 2.001 1.00 0.00 O ATOM 47 CB ASP A 5 2.260 2.802 2.367 1.00 0.00 C ATOM 48 CG ASP A 5 2.250 4.311 2.222 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.205 4.878 1.842 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.298 4.936 2.481 1.00 0.00 O ATOM 51 H ASP A 5 2.199 0.395 3.253 1.00 0.00 H ATOM 52 HA ASP A 5 1.333 2.964 4.291 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.263 2.488 2.613 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.971 2.367 1.418 1.00 0.00 H ATOM 55 N PRO A 6 -0.983 3.197 3.317 1.00 0.00 N ATOM 56 CA PRO A 6 -2.361 3.291 2.815 1.00 0.00 C ATOM 57 C PRO A 6 -2.413 3.562 1.308 1.00 0.00 C ATOM 58 O PRO A 6 -3.432 3.331 0.657 1.00 0.00 O ATOM 59 CB PRO A 6 -2.954 4.472 3.595 1.00 0.00 C ATOM 60 CG PRO A 6 -1.780 5.235 4.105 1.00 0.00 C ATOM 61 CD PRO A 6 -0.696 4.220 4.333 1.00 0.00 C ATOM 62 HA PRO A 6 -2.920 2.394 3.035 1.00 0.00 H ATOM 63 HB2 PRO A 6 -3.557 5.076 2.930 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.564 4.102 4.404 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.463 5.961 3.370 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.035 5.725 5.034 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.277 4.663 4.175 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.767 3.807 5.328 1.00 0.00 H ATOM 69 N ARG A 7 -1.304 4.047 0.762 1.00 0.00 N ATOM 70 CA ARG A 7 -1.182 4.356 -0.636 1.00 0.00 C ATOM 71 C ARG A 7 -0.954 3.106 -1.467 1.00 0.00 C ATOM 72 O ARG A 7 -0.857 3.182 -2.685 1.00 0.00 O ATOM 73 CB ARG A 7 -0.014 5.296 -0.819 1.00 0.00 C ATOM 74 CG ARG A 7 -0.359 6.757 -0.600 1.00 0.00 C ATOM 75 CD ARG A 7 0.888 7.625 -0.581 1.00 0.00 C ATOM 76 NE ARG A 7 1.850 7.179 0.428 1.00 0.00 N ATOM 77 CZ ARG A 7 2.990 7.810 0.702 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.296 8.943 0.077 1.00 0.00 N ATOM 79 NH2 ARG A 7 3.823 7.307 1.603 1.00 0.00 N ATOM 80 H ARG A 7 -0.523 4.202 1.322 1.00 0.00 H ATOM 81 HA ARG A 7 -2.085 4.844 -0.961 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.758 5.024 -0.113 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.363 5.166 -1.802 1.00 0.00 H ATOM 84 HG2 ARG A 7 -1.004 7.089 -1.400 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.871 6.859 0.345 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.355 7.581 -1.553 1.00 0.00 H ATOM 87 HD3 ARG A 7 0.599 8.643 -0.366 1.00 0.00 H ATOM 88 HE ARG A 7 1.635 6.341 0.925 1.00 0.00 H ATOM 89 HH11 ARG A 7 2.669 9.326 -0.602 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.152 9.417 0.285 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.588 6.436 2.080 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.677 7.772 1.820 1.00 0.00 H ATOM 93 N CYS A 8 -0.841 1.968 -0.805 1.00 0.00 N ATOM 94 CA CYS A 8 -0.606 0.713 -1.512 1.00 0.00 C ATOM 95 C CYS A 8 -1.110 -0.496 -0.719 1.00 0.00 C ATOM 96 O CYS A 8 -1.027 -1.633 -1.174 1.00 0.00 O ATOM 97 CB CYS A 8 0.893 0.577 -1.823 1.00 0.00 C ATOM 98 SG CYS A 8 1.343 -0.752 -2.995 1.00 0.00 S ATOM 99 H CYS A 8 -0.889 1.982 0.169 1.00 0.00 H ATOM 100 HA CYS A 8 -1.160 0.765 -2.425 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.245 1.508 -2.242 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.423 0.390 -0.900 1.00 0.00 H ATOM 103 N ALA A 9 -1.623 -0.230 0.466 1.00 0.00 N ATOM 104 CA ALA A 9 -2.139 -1.271 1.371 1.00 0.00 C ATOM 105 C ALA A 9 -3.165 -2.177 0.704 1.00 0.00 C ATOM 106 O ALA A 9 -3.290 -3.356 1.035 1.00 0.00 O ATOM 107 CB ALA A 9 -2.737 -0.634 2.617 1.00 0.00 C ATOM 108 H ALA A 9 -1.636 0.703 0.756 1.00 0.00 H ATOM 109 HA ALA A 9 -1.307 -1.872 1.675 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.713 -1.343 3.431 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.759 -0.348 2.419 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.164 0.241 2.885 1.00 0.00 H ATOM 113 N TRP A 10 -3.891 -1.606 -0.230 1.00 0.00 N ATOM 114 CA TRP A 10 -4.923 -2.315 -0.979 1.00 0.00 C ATOM 115 C TRP A 10 -4.324 -3.419 -1.843 1.00 0.00 C ATOM 116 O TRP A 10 -4.998 -4.379 -2.203 1.00 0.00 O ATOM 117 CB TRP A 10 -5.741 -1.322 -1.816 1.00 0.00 C ATOM 118 CG TRP A 10 -4.983 -0.078 -2.135 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.806 0.972 -1.295 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.328 0.268 -3.360 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.031 1.926 -1.889 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.740 1.529 -3.162 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.166 -0.362 -4.596 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.004 2.172 -4.142 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.436 0.283 -5.579 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.860 1.540 -5.345 1.00 0.00 C ATOM 127 H TRP A 10 -3.724 -0.670 -0.429 1.00 0.00 H ATOM 128 HA TRP A 10 -5.570 -2.771 -0.260 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.037 -1.785 -2.742 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.619 -1.031 -1.257 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.197 1.006 -0.290 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.743 2.765 -1.474 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.602 -1.330 -4.791 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.548 3.141 -3.961 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.301 -0.186 -6.543 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.299 2.008 -6.140 1.00 0.00 H ATOM 137 N ARG A 11 -3.040 -3.291 -2.124 1.00 0.00 N ATOM 138 CA ARG A 11 -2.313 -4.290 -2.899 1.00 0.00 C ATOM 139 C ARG A 11 -1.667 -5.301 -1.958 1.00 0.00 C ATOM 140 O ARG A 11 -0.619 -5.870 -2.257 1.00 0.00 O ATOM 141 CB ARG A 11 -1.233 -3.629 -3.757 1.00 0.00 C ATOM 142 CG ARG A 11 -1.772 -2.867 -4.952 1.00 0.00 C ATOM 143 CD ARG A 11 -0.653 -2.162 -5.707 1.00 0.00 C ATOM 144 NE ARG A 11 0.435 -3.075 -6.073 1.00 0.00 N ATOM 145 CZ ARG A 11 0.336 -4.046 -6.987 1.00 0.00 C ATOM 146 NH1 ARG A 11 -0.789 -4.203 -7.681 1.00 0.00 N ATOM 147 NH2 ARG A 11 1.370 -4.851 -7.214 1.00 0.00 N ATOM 148 H ARG A 11 -2.556 -2.518 -1.766 1.00 0.00 H ATOM 149 HA ARG A 11 -3.018 -4.799 -3.540 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.675 -2.940 -3.142 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.562 -4.395 -4.119 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.261 -3.561 -5.620 1.00 0.00 H ATOM 153 HG3 ARG A 11 -2.483 -2.130 -4.608 1.00 0.00 H ATOM 154 HD2 ARG A 11 -1.062 -1.728 -6.607 1.00 0.00 H ATOM 155 HD3 ARG A 11 -0.255 -1.377 -5.080 1.00 0.00 H ATOM 156 HE ARG A 11 1.285 -2.966 -5.590 1.00 0.00 H ATOM 157 HH11 ARG A 11 -1.568 -3.594 -7.520 1.00 0.00 H ATOM 158 HH12 ARG A 11 -0.863 -4.933 -8.363 1.00 0.00 H ATOM 159 HH21 ARG A 11 2.222 -4.731 -6.700 1.00 0.00 H ATOM 160 HH22 ARG A 11 1.301 -5.581 -7.894 1.00 0.00 H ATOM 161 N CYS A 12 -2.300 -5.499 -0.814 1.00 0.00 N ATOM 162 CA CYS A 12 -1.805 -6.418 0.196 1.00 0.00 C ATOM 163 C CYS A 12 -2.966 -6.979 1.007 1.00 0.00 C ATOM 164 O CYS A 12 -2.915 -8.108 1.491 1.00 0.00 O ATOM 165 CB CYS A 12 -0.812 -5.690 1.106 1.00 0.00 C ATOM 166 SG CYS A 12 -0.171 -6.680 2.496 1.00 0.00 S ATOM 167 H CYS A 12 -3.125 -5.003 -0.636 1.00 0.00 H ATOM 168 HA CYS A 12 -1.299 -7.230 -0.306 1.00 0.00 H ATOM 169 HB2 CYS A 12 0.036 -5.373 0.517 1.00 0.00 H ATOM 170 HB3 CYS A 12 -1.295 -4.817 1.522 1.00 0.00 H HETATM 171 N NH2 A 13 -4.022 -6.188 1.147 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.912 -6.589 1.075 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -3.868 -5.233 1.317 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 9 ATOM 1 N GLY A 1 6.569 -0.308 2.505 1.00 0.00 N ATOM 2 CA GLY A 1 5.947 -1.421 1.743 1.00 0.00 C ATOM 3 C GLY A 1 4.506 -1.113 1.430 1.00 0.00 C ATOM 4 O GLY A 1 3.886 -0.355 2.162 1.00 0.00 O ATOM 5 H1 GLY A 1 7.018 -0.671 3.368 1.00 0.00 H ATOM 6 H2 GLY A 1 5.836 0.383 2.773 1.00 0.00 H ATOM 7 H3 GLY A 1 7.285 0.170 1.924 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.486 -1.566 0.818 1.00 0.00 H ATOM 9 HA3 GLY A 1 5.999 -2.327 2.330 1.00 0.00 H ATOM 10 N CYS A 2 3.977 -1.675 0.346 1.00 0.00 N ATOM 11 CA CYS A 2 2.602 -1.425 -0.053 1.00 0.00 C ATOM 12 C CYS A 2 1.613 -1.769 1.051 1.00 0.00 C ATOM 13 O CYS A 2 0.737 -0.977 1.371 1.00 0.00 O ATOM 14 CB CYS A 2 2.277 -2.213 -1.320 1.00 0.00 C ATOM 15 SG CYS A 2 2.624 -1.317 -2.867 1.00 0.00 S ATOM 16 H CYS A 2 4.522 -2.262 -0.212 1.00 0.00 H ATOM 17 HA CYS A 2 2.513 -0.377 -0.270 1.00 0.00 H ATOM 18 HB2 CYS A 2 2.865 -3.119 -1.329 1.00 0.00 H ATOM 19 HB3 CYS A 2 1.238 -2.471 -1.311 1.00 0.00 H HETATM 20 N ABA A 3 1.760 -2.946 1.631 1.00 0.00 N HETATM 21 CA ABA A 3 0.865 -3.387 2.700 1.00 0.00 C HETATM 22 C ABA A 3 0.897 -2.409 3.871 1.00 0.00 C HETATM 23 O ABA A 3 -0.138 -2.073 4.440 1.00 0.00 O HETATM 24 CB ABA A 3 1.250 -4.793 3.170 1.00 0.00 C HETATM 25 CG ABA A 3 0.232 -5.423 4.098 1.00 0.00 C HETATM 26 H ABA A 3 2.480 -3.531 1.334 1.00 0.00 H HETATM 27 HA ABA A 3 -0.137 -3.413 2.299 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.191 -4.745 3.695 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.355 -5.437 2.310 1.00 0.00 H HETATM 30 HG1 ABA A 3 0.108 -4.801 4.973 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.575 -6.402 4.399 1.00 0.00 H ATOM 32 N SER A 4 2.091 -1.955 4.219 1.00 0.00 N ATOM 33 CA SER A 4 2.277 -1.014 5.311 1.00 0.00 C ATOM 34 C SER A 4 2.221 0.439 4.825 1.00 0.00 C ATOM 35 O SER A 4 2.975 1.287 5.302 1.00 0.00 O ATOM 36 CB SER A 4 3.619 -1.304 5.975 1.00 0.00 C ATOM 37 OG SER A 4 4.429 -2.137 5.148 1.00 0.00 O ATOM 38 H SER A 4 2.878 -2.253 3.727 1.00 0.00 H ATOM 39 HA SER A 4 1.487 -1.176 6.028 1.00 0.00 H ATOM 40 HB2 SER A 4 4.139 -0.376 6.146 1.00 0.00 H ATOM 41 HB3 SER A 4 3.453 -1.803 6.916 1.00 0.00 H ATOM 42 HG SER A 4 4.760 -2.873 5.675 1.00 0.00 H ATOM 43 N ASP A 5 1.341 0.718 3.868 1.00 0.00 N ATOM 44 CA ASP A 5 1.205 2.066 3.318 1.00 0.00 C ATOM 45 C ASP A 5 -0.210 2.284 2.812 1.00 0.00 C ATOM 46 O ASP A 5 -0.661 1.569 1.936 1.00 0.00 O ATOM 47 CB ASP A 5 2.187 2.251 2.158 1.00 0.00 C ATOM 48 CG ASP A 5 2.352 3.695 1.713 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.433 4.516 1.923 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.401 4.010 1.114 1.00 0.00 O ATOM 51 H ASP A 5 0.771 0.001 3.516 1.00 0.00 H ATOM 52 HA ASP A 5 1.426 2.781 4.097 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.154 1.875 2.451 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.825 1.676 1.313 1.00 0.00 H ATOM 55 N PRO A 6 -0.934 3.283 3.334 1.00 0.00 N ATOM 56 CA PRO A 6 -2.304 3.577 2.894 1.00 0.00 C ATOM 57 C PRO A 6 -2.382 3.883 1.394 1.00 0.00 C ATOM 58 O PRO A 6 -3.444 3.785 0.779 1.00 0.00 O ATOM 59 CB PRO A 6 -2.688 4.815 3.711 1.00 0.00 C ATOM 60 CG PRO A 6 -1.757 4.820 4.875 1.00 0.00 C ATOM 61 CD PRO A 6 -0.475 4.211 4.381 1.00 0.00 C ATOM 62 HA PRO A 6 -2.975 2.764 3.129 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.564 5.701 3.104 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.717 4.734 4.030 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.587 5.832 5.208 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.169 4.224 5.677 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.170 4.971 3.969 1.00 0.00 H ATOM 68 HD3 PRO A 6 0.023 3.678 5.178 1.00 0.00 H ATOM 69 N ARG A 7 -1.244 4.254 0.821 1.00 0.00 N ATOM 70 CA ARG A 7 -1.127 4.587 -0.569 1.00 0.00 C ATOM 71 C ARG A 7 -1.086 3.355 -1.455 1.00 0.00 C ATOM 72 O ARG A 7 -1.143 3.475 -2.670 1.00 0.00 O ATOM 73 CB ARG A 7 0.144 5.380 -0.757 1.00 0.00 C ATOM 74 CG ARG A 7 0.049 6.822 -0.291 1.00 0.00 C ATOM 75 CD ARG A 7 1.398 7.516 -0.361 1.00 0.00 C ATOM 76 NE ARG A 7 2.439 6.749 0.324 1.00 0.00 N ATOM 77 CZ ARG A 7 3.697 7.155 0.471 1.00 0.00 C ATOM 78 NH1 ARG A 7 4.068 8.363 0.054 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.579 6.348 1.037 1.00 0.00 N ATOM 80 H ARG A 7 -0.436 4.304 1.355 1.00 0.00 H ATOM 81 HA ARG A 7 -1.970 5.200 -0.847 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.933 4.898 -0.197 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.397 5.361 -1.786 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.649 7.349 -0.922 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.303 6.837 0.731 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.674 7.637 -1.397 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.314 8.487 0.105 1.00 0.00 H ATOM 88 HE ARG A 7 2.185 5.855 0.678 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.399 8.973 -0.372 1.00 0.00 H ATOM 90 HH12 ARG A 7 5.015 8.665 0.166 1.00 0.00 H ATOM 91 HH21 ARG A 7 4.285 5.424 1.347 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.526 6.634 1.162 1.00 0.00 H ATOM 93 N CYS A 8 -0.939 2.183 -0.852 1.00 0.00 N ATOM 94 CA CYS A 8 -0.856 0.945 -1.624 1.00 0.00 C ATOM 95 C CYS A 8 -1.226 -0.282 -0.780 1.00 0.00 C ATOM 96 O CYS A 8 -0.916 -1.421 -1.135 1.00 0.00 O ATOM 97 CB CYS A 8 0.567 0.809 -2.175 1.00 0.00 C ATOM 98 SG CYS A 8 0.818 -0.537 -3.382 1.00 0.00 S ATOM 99 H CYS A 8 -0.852 2.158 0.122 1.00 0.00 H ATOM 100 HA CYS A 8 -1.552 1.024 -2.441 1.00 0.00 H ATOM 101 HB2 CYS A 8 0.843 1.733 -2.657 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.236 0.632 -1.345 1.00 0.00 H ATOM 103 N ALA A 9 -1.878 -0.033 0.342 1.00 0.00 N ATOM 104 CA ALA A 9 -2.289 -1.088 1.285 1.00 0.00 C ATOM 105 C ALA A 9 -3.179 -2.135 0.635 1.00 0.00 C ATOM 106 O ALA A 9 -3.183 -3.301 1.027 1.00 0.00 O ATOM 107 CB ALA A 9 -2.996 -0.477 2.487 1.00 0.00 C ATOM 108 H ALA A 9 -2.062 0.900 0.564 1.00 0.00 H ATOM 109 HA ALA A 9 -1.400 -1.571 1.635 1.00 0.00 H ATOM 110 HB1 ALA A 9 -4.052 -0.393 2.278 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.588 0.504 2.683 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.848 -1.109 3.349 1.00 0.00 H ATOM 113 N TRP A 10 -3.919 -1.699 -0.358 1.00 0.00 N ATOM 114 CA TRP A 10 -4.838 -2.551 -1.108 1.00 0.00 C ATOM 115 C TRP A 10 -4.084 -3.654 -1.846 1.00 0.00 C ATOM 116 O TRP A 10 -4.657 -4.669 -2.233 1.00 0.00 O ATOM 117 CB TRP A 10 -5.670 -1.690 -2.068 1.00 0.00 C ATOM 118 CG TRP A 10 -5.054 -0.353 -2.309 1.00 0.00 C ATOM 119 CD1 TRP A 10 -5.178 0.732 -1.501 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.240 0.054 -3.413 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.446 1.774 -1.999 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.876 1.390 -3.178 1.00 0.00 C ATOM 123 CE3 TRP A 10 -3.773 -0.576 -4.568 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.068 2.107 -4.045 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -2.971 0.140 -5.437 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.622 1.469 -5.170 1.00 0.00 C ATOM 127 H TRP A 10 -3.847 -0.758 -0.599 1.00 0.00 H ATOM 128 HA TRP A 10 -5.493 -3.011 -0.396 1.00 0.00 H ATOM 129 HB2 TRP A 10 -5.770 -2.195 -3.014 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.646 -1.525 -1.636 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.745 0.735 -0.584 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.355 2.658 -1.586 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.032 -1.603 -4.789 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.779 3.132 -3.831 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -2.601 -0.329 -6.337 1.00 0.00 H ATOM 136 HH2 TRP A 10 -1.996 1.993 -5.876 1.00 0.00 H ATOM 137 N ARG A 11 -2.788 -3.457 -1.993 1.00 0.00 N ATOM 138 CA ARG A 11 -1.922 -4.435 -2.634 1.00 0.00 C ATOM 139 C ARG A 11 -1.327 -5.362 -1.580 1.00 0.00 C ATOM 140 O ARG A 11 -0.120 -5.608 -1.558 1.00 0.00 O ATOM 141 CB ARG A 11 -0.801 -3.736 -3.405 1.00 0.00 C ATOM 142 CG ARG A 11 -1.285 -2.939 -4.603 1.00 0.00 C ATOM 143 CD ARG A 11 -1.779 -3.846 -5.719 1.00 0.00 C ATOM 144 NE ARG A 11 -0.724 -4.734 -6.222 1.00 0.00 N ATOM 145 CZ ARG A 11 0.375 -4.317 -6.863 1.00 0.00 C ATOM 146 NH1 ARG A 11 0.560 -3.022 -7.114 1.00 0.00 N ATOM 147 NH2 ARG A 11 1.288 -5.201 -7.258 1.00 0.00 N ATOM 148 H ARG A 11 -2.394 -2.639 -1.625 1.00 0.00 H ATOM 149 HA ARG A 11 -2.519 -5.017 -3.320 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.286 -3.062 -2.737 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.103 -4.483 -3.756 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.094 -2.296 -4.290 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.469 -2.337 -4.975 1.00 0.00 H ATOM 154 HD2 ARG A 11 -2.592 -4.448 -5.341 1.00 0.00 H ATOM 155 HD3 ARG A 11 -2.136 -3.230 -6.533 1.00 0.00 H ATOM 156 HE ARG A 11 -0.840 -5.695 -6.060 1.00 0.00 H ATOM 157 HH11 ARG A 11 -0.123 -2.349 -6.823 1.00 0.00 H ATOM 158 HH12 ARG A 11 1.385 -2.713 -7.591 1.00 0.00 H ATOM 159 HH21 ARG A 11 1.154 -6.176 -7.076 1.00 0.00 H ATOM 160 HH22 ARG A 11 2.113 -4.894 -7.736 1.00 0.00 H ATOM 161 N CYS A 12 -2.179 -5.856 -0.694 1.00 0.00 N ATOM 162 CA CYS A 12 -1.744 -6.735 0.378 1.00 0.00 C ATOM 163 C CYS A 12 -2.864 -7.695 0.757 1.00 0.00 C ATOM 164 O CYS A 12 -3.979 -7.274 1.057 1.00 0.00 O ATOM 165 CB CYS A 12 -1.326 -5.901 1.594 1.00 0.00 C ATOM 166 SG CYS A 12 -0.570 -6.855 2.951 1.00 0.00 S ATOM 167 H CYS A 12 -3.127 -5.611 -0.753 1.00 0.00 H ATOM 168 HA CYS A 12 -0.895 -7.303 0.027 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.608 -5.159 1.279 1.00 0.00 H ATOM 170 HB3 CYS A 12 -2.199 -5.401 1.991 1.00 0.00 H HETATM 171 N NH2 A 13 -2.573 -8.988 0.730 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -3.215 -9.613 1.126 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -1.730 -9.263 0.315 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 10 ATOM 1 N GLY A 1 6.384 0.548 3.581 1.00 0.00 N ATOM 2 CA GLY A 1 6.196 -0.563 2.612 1.00 0.00 C ATOM 3 C GLY A 1 4.819 -0.509 2.002 1.00 0.00 C ATOM 4 O GLY A 1 3.925 0.053 2.610 1.00 0.00 O ATOM 5 H1 GLY A 1 5.489 1.077 3.683 1.00 0.00 H ATOM 6 H2 GLY A 1 7.122 1.196 3.248 1.00 0.00 H ATOM 7 H3 GLY A 1 6.655 0.172 4.511 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.933 -0.480 1.828 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.324 -1.508 3.124 1.00 0.00 H ATOM 10 N CYS A 2 4.652 -1.070 0.804 1.00 0.00 N ATOM 11 CA CYS A 2 3.355 -1.051 0.116 1.00 0.00 C ATOM 12 C CYS A 2 2.222 -1.539 1.016 1.00 0.00 C ATOM 13 O CYS A 2 1.199 -0.876 1.147 1.00 0.00 O ATOM 14 CB CYS A 2 3.418 -1.892 -1.168 1.00 0.00 C ATOM 15 SG CYS A 2 1.790 -2.387 -1.829 1.00 0.00 S ATOM 16 H CYS A 2 5.416 -1.492 0.363 1.00 0.00 H ATOM 17 HA CYS A 2 3.151 -0.034 -0.151 1.00 0.00 H ATOM 18 HB2 CYS A 2 3.921 -1.323 -1.936 1.00 0.00 H ATOM 19 HB3 CYS A 2 3.980 -2.793 -0.971 1.00 0.00 H HETATM 20 N ABA A 3 2.416 -2.688 1.638 1.00 0.00 N HETATM 21 CA ABA A 3 1.404 -3.257 2.524 1.00 0.00 C HETATM 22 C ABA A 3 1.141 -2.341 3.719 1.00 0.00 C HETATM 23 O ABA A 3 -0.004 -2.101 4.092 1.00 0.00 O HETATM 24 CB ABA A 3 1.837 -4.644 3.004 1.00 0.00 C HETATM 25 CG ABA A 3 0.755 -5.404 3.744 1.00 0.00 C HETATM 26 H ABA A 3 3.252 -3.164 1.497 1.00 0.00 H HETATM 27 HA ABA A 3 0.489 -3.354 1.958 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.683 -4.538 3.668 1.00 0.00 H HETATM 29 HB2 ABA A 3 2.131 -5.237 2.150 1.00 0.00 H HETATM 30 HG1 ABA A 3 0.488 -4.865 4.641 1.00 0.00 H HETATM 31 HG2 ABA A 3 1.122 -6.385 4.010 1.00 0.00 H ATOM 32 N SER A 4 2.212 -1.831 4.310 1.00 0.00 N ATOM 33 CA SER A 4 2.115 -0.942 5.457 1.00 0.00 C ATOM 34 C SER A 4 2.032 0.526 5.028 1.00 0.00 C ATOM 35 O SER A 4 2.697 1.387 5.604 1.00 0.00 O ATOM 36 CB SER A 4 3.334 -1.170 6.349 1.00 0.00 C ATOM 37 OG SER A 4 4.363 -1.857 5.641 1.00 0.00 O ATOM 38 H SER A 4 3.097 -2.053 3.970 1.00 0.00 H ATOM 39 HA SER A 4 1.223 -1.201 6.007 1.00 0.00 H ATOM 40 HB2 SER A 4 3.716 -0.217 6.676 1.00 0.00 H ATOM 41 HB3 SER A 4 3.047 -1.758 7.207 1.00 0.00 H ATOM 42 HG SER A 4 4.679 -2.590 6.180 1.00 0.00 H ATOM 43 N ASP A 5 1.229 0.799 4.008 1.00 0.00 N ATOM 44 CA ASP A 5 1.068 2.158 3.494 1.00 0.00 C ATOM 45 C ASP A 5 -0.307 2.312 2.867 1.00 0.00 C ATOM 46 O ASP A 5 -0.655 1.556 1.976 1.00 0.00 O ATOM 47 CB ASP A 5 2.146 2.439 2.442 1.00 0.00 C ATOM 48 CG ASP A 5 2.247 3.895 2.014 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.237 4.626 2.065 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.345 4.304 1.584 1.00 0.00 O ATOM 51 H ASP A 5 0.732 0.068 3.580 1.00 0.00 H ATOM 52 HA ASP A 5 1.172 2.852 4.314 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.105 2.137 2.834 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.925 1.844 1.563 1.00 0.00 H ATOM 55 N PRO A 6 -1.108 3.293 3.305 1.00 0.00 N ATOM 56 CA PRO A 6 -2.448 3.523 2.748 1.00 0.00 C ATOM 57 C PRO A 6 -2.415 3.746 1.233 1.00 0.00 C ATOM 58 O PRO A 6 -3.421 3.577 0.542 1.00 0.00 O ATOM 59 CB PRO A 6 -2.919 4.794 3.464 1.00 0.00 C ATOM 60 CG PRO A 6 -2.106 4.860 4.710 1.00 0.00 C ATOM 61 CD PRO A 6 -0.774 4.257 4.366 1.00 0.00 C ATOM 62 HA PRO A 6 -3.117 2.709 2.977 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.744 5.652 2.831 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.973 4.716 3.686 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.984 5.890 5.016 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.584 4.291 5.493 1.00 0.00 H ATOM 67 HD2 PRO A 6 -0.098 5.017 3.999 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.351 3.756 5.224 1.00 0.00 H ATOM 69 N ARG A 7 -1.248 4.123 0.729 1.00 0.00 N ATOM 70 CA ARG A 7 -1.031 4.378 -0.667 1.00 0.00 C ATOM 71 C ARG A 7 -0.886 3.097 -1.470 1.00 0.00 C ATOM 72 O ARG A 7 -0.808 3.145 -2.692 1.00 0.00 O ATOM 73 CB ARG A 7 0.224 5.205 -0.807 1.00 0.00 C ATOM 74 CG ARG A 7 0.016 6.687 -0.548 1.00 0.00 C ATOM 75 CD ARG A 7 1.333 7.444 -0.564 1.00 0.00 C ATOM 76 NE ARG A 7 2.318 6.843 0.332 1.00 0.00 N ATOM 77 CZ ARG A 7 3.518 7.360 0.582 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.867 8.534 0.065 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.366 6.697 1.354 1.00 0.00 N ATOM 80 H ARG A 7 -0.484 4.232 1.323 1.00 0.00 H ATOM 81 HA ARG A 7 -1.869 4.944 -1.043 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.956 4.841 -0.100 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.602 5.071 -1.789 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.629 7.090 -1.314 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.448 6.812 0.420 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.724 7.439 -1.572 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.151 8.463 -0.255 1.00 0.00 H ATOM 88 HE ARG A 7 2.077 5.979 0.760 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.225 9.034 -0.518 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.769 8.920 0.254 1.00 0.00 H ATOM 91 HH21 ARG A 7 4.090 5.797 1.741 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.267 7.069 1.559 1.00 0.00 H ATOM 93 N CYS A 8 -0.811 1.961 -0.793 1.00 0.00 N ATOM 94 CA CYS A 8 -0.645 0.688 -1.493 1.00 0.00 C ATOM 95 C CYS A 8 -1.142 -0.508 -0.670 1.00 0.00 C ATOM 96 O CYS A 8 -0.991 -1.658 -1.068 1.00 0.00 O ATOM 97 CB CYS A 8 0.837 0.515 -1.864 1.00 0.00 C ATOM 98 SG CYS A 8 1.214 -0.845 -3.026 1.00 0.00 S ATOM 99 H CYS A 8 -0.836 1.987 0.184 1.00 0.00 H ATOM 100 HA CYS A 8 -1.233 0.747 -2.387 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.189 1.429 -2.316 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.400 0.336 -0.959 1.00 0.00 H ATOM 103 N ALA A 9 -1.734 -0.221 0.473 1.00 0.00 N ATOM 104 CA ALA A 9 -2.251 -1.258 1.379 1.00 0.00 C ATOM 105 C ALA A 9 -3.250 -2.177 0.690 1.00 0.00 C ATOM 106 O ALA A 9 -3.361 -3.360 1.008 1.00 0.00 O ATOM 107 CB ALA A 9 -2.886 -0.622 2.607 1.00 0.00 C ATOM 108 H ALA A 9 -1.812 0.719 0.728 1.00 0.00 H ATOM 109 HA ALA A 9 -1.419 -1.849 1.703 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.472 0.364 2.756 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.683 -1.232 3.475 1.00 0.00 H ATOM 112 HB3 ALA A 9 -3.953 -0.547 2.463 1.00 0.00 H ATOM 113 N TRP A 10 -3.961 -1.609 -0.255 1.00 0.00 N ATOM 114 CA TRP A 10 -4.964 -2.322 -1.034 1.00 0.00 C ATOM 115 C TRP A 10 -4.330 -3.407 -1.896 1.00 0.00 C ATOM 116 O TRP A 10 -4.996 -4.337 -2.345 1.00 0.00 O ATOM 117 CB TRP A 10 -5.766 -1.325 -1.880 1.00 0.00 C ATOM 118 CG TRP A 10 -5.007 -0.075 -2.173 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.857 0.973 -1.323 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.323 0.279 -3.379 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.073 1.934 -1.895 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.748 1.542 -3.162 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.127 -0.346 -4.611 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -2.992 2.193 -4.123 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.377 0.305 -5.575 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.815 1.565 -5.324 1.00 0.00 C ATOM 127 H TRP A 10 -3.800 -0.669 -0.442 1.00 0.00 H ATOM 128 HA TRP A 10 -5.627 -2.792 -0.336 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.037 -1.784 -2.817 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.658 -1.045 -1.341 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.274 1.000 -0.329 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.799 2.774 -1.471 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.551 -1.318 -4.820 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.545 3.164 -3.929 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.215 -0.160 -6.536 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.236 2.039 -6.104 1.00 0.00 H ATOM 137 N ARG A 11 -3.029 -3.296 -2.089 1.00 0.00 N ATOM 138 CA ARG A 11 -2.276 -4.278 -2.856 1.00 0.00 C ATOM 139 C ARG A 11 -1.651 -5.303 -1.918 1.00 0.00 C ATOM 140 O ARG A 11 -0.675 -5.968 -2.262 1.00 0.00 O ATOM 141 CB ARG A 11 -1.183 -3.599 -3.687 1.00 0.00 C ATOM 142 CG ARG A 11 -1.712 -2.794 -4.859 1.00 0.00 C ATOM 143 CD ARG A 11 -2.520 -3.666 -5.805 1.00 0.00 C ATOM 144 NE ARG A 11 -1.744 -4.808 -6.292 1.00 0.00 N ATOM 145 CZ ARG A 11 -2.236 -5.765 -7.078 1.00 0.00 C ATOM 146 NH1 ARG A 11 -3.506 -5.721 -7.469 1.00 0.00 N ATOM 147 NH2 ARG A 11 -1.457 -6.768 -7.470 1.00 0.00 N ATOM 148 H ARG A 11 -2.555 -2.544 -1.674 1.00 0.00 H ATOM 149 HA ARG A 11 -2.965 -4.780 -3.519 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.622 -2.934 -3.046 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.518 -4.358 -4.070 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.345 -2.004 -4.485 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.878 -2.369 -5.397 1.00 0.00 H ATOM 154 HD2 ARG A 11 -3.392 -4.030 -5.283 1.00 0.00 H ATOM 155 HD3 ARG A 11 -2.830 -3.068 -6.649 1.00 0.00 H ATOM 156 HE ARG A 11 -0.803 -4.861 -6.009 1.00 0.00 H ATOM 157 HH11 ARG A 11 -4.097 -4.968 -7.173 1.00 0.00 H ATOM 158 HH12 ARG A 11 -3.879 -6.439 -8.061 1.00 0.00 H ATOM 159 HH21 ARG A 11 -0.499 -6.807 -7.174 1.00 0.00 H ATOM 160 HH22 ARG A 11 -1.821 -7.492 -8.060 1.00 0.00 H ATOM 161 N CYS A 12 -2.219 -5.415 -0.727 1.00 0.00 N ATOM 162 CA CYS A 12 -1.729 -6.342 0.281 1.00 0.00 C ATOM 163 C CYS A 12 -2.884 -6.798 1.171 1.00 0.00 C ATOM 164 O CYS A 12 -2.878 -6.583 2.382 1.00 0.00 O ATOM 165 CB CYS A 12 -0.635 -5.664 1.114 1.00 0.00 C ATOM 166 SG CYS A 12 0.145 -6.728 2.373 1.00 0.00 S ATOM 167 H CYS A 12 -2.990 -4.847 -0.512 1.00 0.00 H ATOM 168 HA CYS A 12 -1.314 -7.200 -0.225 1.00 0.00 H ATOM 169 HB2 CYS A 12 0.147 -5.323 0.452 1.00 0.00 H ATOM 170 HB3 CYS A 12 -1.060 -4.812 1.623 1.00 0.00 H HETATM 171 N NH2 A 13 -3.884 -7.420 0.562 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.597 -7.798 1.115 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -3.868 -7.473 -0.415 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 11 ATOM 1 N GLY A 1 6.393 0.418 3.663 1.00 0.00 N ATOM 2 CA GLY A 1 6.151 -0.715 2.732 1.00 0.00 C ATOM 3 C GLY A 1 4.820 -0.556 2.040 1.00 0.00 C ATOM 4 O GLY A 1 3.968 0.150 2.551 1.00 0.00 O ATOM 5 H1 GLY A 1 5.531 1.005 3.731 1.00 0.00 H ATOM 6 H2 GLY A 1 7.173 1.009 3.316 1.00 0.00 H ATOM 7 H3 GLY A 1 6.630 0.061 4.608 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.934 -0.741 1.990 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.156 -1.641 3.289 1.00 0.00 H ATOM 10 N CYS A 2 4.645 -1.187 0.881 1.00 0.00 N ATOM 11 CA CYS A 2 3.393 -1.071 0.135 1.00 0.00 C ATOM 12 C CYS A 2 2.199 -1.478 0.990 1.00 0.00 C ATOM 13 O CYS A 2 1.249 -0.722 1.139 1.00 0.00 O ATOM 14 CB CYS A 2 3.440 -1.926 -1.136 1.00 0.00 C ATOM 15 SG CYS A 2 3.289 -0.976 -2.684 1.00 0.00 S ATOM 16 H CYS A 2 5.372 -1.728 0.511 1.00 0.00 H ATOM 17 HA CYS A 2 3.274 -0.043 -0.143 1.00 0.00 H ATOM 18 HB2 CYS A 2 4.382 -2.454 -1.168 1.00 0.00 H ATOM 19 HB3 CYS A 2 2.635 -2.643 -1.108 1.00 0.00 H HETATM 20 N ABA A 3 2.266 -2.671 1.557 1.00 0.00 N HETATM 21 CA ABA A 3 1.188 -3.180 2.402 1.00 0.00 C HETATM 22 C ABA A 3 1.014 -2.316 3.650 1.00 0.00 C HETATM 23 O ABA A 3 -0.103 -2.080 4.101 1.00 0.00 O HETATM 24 CB ABA A 3 1.461 -4.634 2.799 1.00 0.00 C HETATM 25 CG ABA A 3 0.355 -5.255 3.627 1.00 0.00 C HETATM 26 H ABA A 3 3.055 -3.220 1.402 1.00 0.00 H HETATM 27 HA ABA A 3 0.275 -3.141 1.827 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.374 -4.677 3.376 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.579 -5.228 1.905 1.00 0.00 H HETATM 30 HG1 ABA A 3 0.634 -6.259 3.906 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.197 -4.665 4.517 1.00 0.00 H ATOM 32 N SER A 4 2.124 -1.852 4.204 1.00 0.00 N ATOM 33 CA SER A 4 2.102 -1.023 5.396 1.00 0.00 C ATOM 34 C SER A 4 1.989 0.466 5.053 1.00 0.00 C ATOM 35 O SER A 4 2.606 1.306 5.709 1.00 0.00 O ATOM 36 CB SER A 4 3.375 -1.287 6.197 1.00 0.00 C ATOM 37 OG SER A 4 4.356 -1.940 5.395 1.00 0.00 O ATOM 38 H SER A 4 2.986 -2.071 3.807 1.00 0.00 H ATOM 39 HA SER A 4 1.248 -1.312 5.989 1.00 0.00 H ATOM 40 HB2 SER A 4 3.780 -0.349 6.539 1.00 0.00 H ATOM 41 HB3 SER A 4 3.145 -1.914 7.046 1.00 0.00 H ATOM 42 HG SER A 4 4.659 -2.731 5.853 1.00 0.00 H ATOM 43 N ASP A 5 1.208 0.786 4.028 1.00 0.00 N ATOM 44 CA ASP A 5 1.025 2.173 3.610 1.00 0.00 C ATOM 45 C ASP A 5 -0.331 2.353 2.941 1.00 0.00 C ATOM 46 O ASP A 5 -0.682 1.590 2.058 1.00 0.00 O ATOM 47 CB ASP A 5 2.126 2.584 2.635 1.00 0.00 C ATOM 48 CG ASP A 5 2.124 4.073 2.358 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.192 4.545 1.690 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.036 4.783 2.826 1.00 0.00 O ATOM 51 H ASP A 5 0.740 0.077 3.538 1.00 0.00 H ATOM 52 HA ASP A 5 1.074 2.800 4.488 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.086 2.309 3.042 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.965 2.062 1.700 1.00 0.00 H ATOM 55 N PRO A 6 -1.114 3.364 3.340 1.00 0.00 N ATOM 56 CA PRO A 6 -2.439 3.623 2.755 1.00 0.00 C ATOM 57 C PRO A 6 -2.409 3.839 1.234 1.00 0.00 C ATOM 58 O PRO A 6 -3.422 3.668 0.554 1.00 0.00 O ATOM 59 CB PRO A 6 -2.898 4.905 3.459 1.00 0.00 C ATOM 60 CG PRO A 6 -2.099 4.962 4.716 1.00 0.00 C ATOM 61 CD PRO A 6 -0.774 4.336 4.392 1.00 0.00 C ATOM 62 HA PRO A 6 -3.128 2.824 2.984 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.699 5.756 2.825 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.956 4.843 3.668 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.966 5.989 5.020 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.597 4.401 5.494 1.00 0.00 H ATOM 67 HD2 PRO A 6 -0.085 5.082 4.021 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.366 3.840 5.259 1.00 0.00 H ATOM 69 N ARG A 7 -1.250 4.218 0.706 1.00 0.00 N ATOM 70 CA ARG A 7 -1.077 4.467 -0.702 1.00 0.00 C ATOM 71 C ARG A 7 -0.929 3.176 -1.492 1.00 0.00 C ATOM 72 O ARG A 7 -0.883 3.214 -2.714 1.00 0.00 O ATOM 73 CB ARG A 7 0.159 5.324 -0.924 1.00 0.00 C ATOM 74 CG ARG A 7 -0.090 6.828 -0.965 1.00 0.00 C ATOM 75 CD ARG A 7 -0.348 7.420 0.418 1.00 0.00 C ATOM 76 NE ARG A 7 0.684 7.039 1.384 1.00 0.00 N ATOM 77 CZ ARG A 7 0.978 7.711 2.494 1.00 0.00 C ATOM 78 NH1 ARG A 7 0.367 8.861 2.766 1.00 0.00 N ATOM 79 NH2 ARG A 7 1.891 7.227 3.328 1.00 0.00 N ATOM 80 H ARG A 7 -0.470 4.332 1.280 1.00 0.00 H ATOM 81 HA ARG A 7 -1.943 5.002 -1.057 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.856 5.123 -0.127 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.607 5.023 -1.844 1.00 0.00 H ATOM 84 HG2 ARG A 7 0.778 7.312 -1.389 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.948 7.019 -1.593 1.00 0.00 H ATOM 86 HD2 ARG A 7 -0.369 8.497 0.336 1.00 0.00 H ATOM 87 HD3 ARG A 7 -1.307 7.070 0.772 1.00 0.00 H ATOM 88 HE ARG A 7 1.172 6.191 1.211 1.00 0.00 H ATOM 89 HH11 ARG A 7 -0.319 9.227 2.136 1.00 0.00 H ATOM 90 HH12 ARG A 7 0.591 9.367 3.600 1.00 0.00 H ATOM 91 HH21 ARG A 7 2.358 6.345 3.115 1.00 0.00 H ATOM 92 HH22 ARG A 7 2.129 7.717 4.164 1.00 0.00 H ATOM 93 N CYS A 8 -0.803 2.043 -0.805 1.00 0.00 N ATOM 94 CA CYS A 8 -0.618 0.774 -1.508 1.00 0.00 C ATOM 95 C CYS A 8 -1.031 -0.446 -0.671 1.00 0.00 C ATOM 96 O CYS A 8 -0.806 -1.592 -1.061 1.00 0.00 O ATOM 97 CB CYS A 8 0.853 0.671 -1.933 1.00 0.00 C ATOM 98 SG CYS A 8 1.284 -0.780 -2.953 1.00 0.00 S ATOM 99 H CYS A 8 -0.795 2.070 0.172 1.00 0.00 H ATOM 100 HA CYS A 8 -1.239 0.808 -2.380 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.107 1.551 -2.498 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.467 0.638 -1.044 1.00 0.00 H ATOM 103 N ALA A 9 -1.630 -0.194 0.476 1.00 0.00 N ATOM 104 CA ALA A 9 -2.069 -1.260 1.390 1.00 0.00 C ATOM 105 C ALA A 9 -3.037 -2.226 0.724 1.00 0.00 C ATOM 106 O ALA A 9 -3.043 -3.422 0.999 1.00 0.00 O ATOM 107 CB ALA A 9 -2.708 -0.662 2.634 1.00 0.00 C ATOM 108 H ALA A 9 -1.761 0.741 0.732 1.00 0.00 H ATOM 109 HA ALA A 9 -1.200 -1.806 1.692 1.00 0.00 H ATOM 110 HB1 ALA A 9 -3.760 -0.908 2.652 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.588 0.410 2.622 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.230 -1.068 3.515 1.00 0.00 H ATOM 113 N TRP A 10 -3.848 -1.681 -0.148 1.00 0.00 N ATOM 114 CA TRP A 10 -4.854 -2.439 -0.888 1.00 0.00 C ATOM 115 C TRP A 10 -4.230 -3.502 -1.786 1.00 0.00 C ATOM 116 O TRP A 10 -4.904 -4.424 -2.239 1.00 0.00 O ATOM 117 CB TRP A 10 -5.718 -1.470 -1.699 1.00 0.00 C ATOM 118 CG TRP A 10 -4.994 -0.212 -2.040 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.903 0.887 -1.249 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.275 0.090 -3.241 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.129 1.839 -1.854 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.748 1.382 -3.084 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.015 -0.603 -4.427 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -2.978 1.997 -4.056 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.252 0.013 -5.401 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.737 1.303 -5.209 1.00 0.00 C ATOM 127 H TRP A 10 -3.771 -0.724 -0.301 1.00 0.00 H ATOM 128 HA TRP A 10 -5.474 -2.931 -0.166 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.024 -1.945 -2.617 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.589 -1.201 -1.120 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.354 0.964 -0.273 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.897 2.712 -1.476 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.405 -1.597 -4.590 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.567 2.991 -3.907 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.041 -0.504 -6.326 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.147 1.746 -5.997 1.00 0.00 H ATOM 137 N ARG A 11 -2.939 -3.370 -2.029 1.00 0.00 N ATOM 138 CA ARG A 11 -2.213 -4.322 -2.858 1.00 0.00 C ATOM 139 C ARG A 11 -1.966 -5.633 -2.122 1.00 0.00 C ATOM 140 O ARG A 11 -1.805 -6.680 -2.744 1.00 0.00 O ATOM 141 CB ARG A 11 -0.886 -3.734 -3.337 1.00 0.00 C ATOM 142 CG ARG A 11 -1.037 -2.760 -4.494 1.00 0.00 C ATOM 143 CD ARG A 11 -1.720 -3.418 -5.681 1.00 0.00 C ATOM 144 NE ARG A 11 -1.012 -4.621 -6.122 1.00 0.00 N ATOM 145 CZ ARG A 11 -1.465 -5.450 -7.063 1.00 0.00 C ATOM 146 NH1 ARG A 11 -2.630 -5.214 -7.659 1.00 0.00 N ATOM 147 NH2 ARG A 11 -0.753 -6.522 -7.403 1.00 0.00 N ATOM 148 H ARG A 11 -2.462 -2.616 -1.625 1.00 0.00 H ATOM 149 HA ARG A 11 -2.827 -4.531 -3.717 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.418 -3.215 -2.515 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.242 -4.541 -3.656 1.00 0.00 H ATOM 152 HG2 ARG A 11 -1.631 -1.918 -4.168 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.059 -2.418 -4.794 1.00 0.00 H ATOM 154 HD2 ARG A 11 -2.726 -3.687 -5.398 1.00 0.00 H ATOM 155 HD3 ARG A 11 -1.754 -2.712 -6.497 1.00 0.00 H ATOM 156 HE ARG A 11 -0.151 -4.816 -5.691 1.00 0.00 H ATOM 157 HH11 ARG A 11 -3.171 -4.410 -7.401 1.00 0.00 H ATOM 158 HH12 ARG A 11 -2.974 -5.838 -8.364 1.00 0.00 H ATOM 159 HH21 ARG A 11 0.125 -6.708 -6.954 1.00 0.00 H ATOM 160 HH22 ARG A 11 -1.090 -7.151 -8.105 1.00 0.00 H ATOM 161 N CYS A 12 -1.937 -5.572 -0.800 1.00 0.00 N ATOM 162 CA CYS A 12 -1.711 -6.768 0.006 1.00 0.00 C ATOM 163 C CYS A 12 -3.020 -7.253 0.624 1.00 0.00 C ATOM 164 O CYS A 12 -3.030 -8.177 1.436 1.00 0.00 O ATOM 165 CB CYS A 12 -0.672 -6.503 1.101 1.00 0.00 C ATOM 166 SG CYS A 12 -1.187 -5.281 2.352 1.00 0.00 S ATOM 167 H CYS A 12 -2.078 -4.710 -0.355 1.00 0.00 H ATOM 168 HA CYS A 12 -1.337 -7.539 -0.651 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.463 -7.428 1.617 1.00 0.00 H ATOM 170 HB3 CYS A 12 0.235 -6.141 0.643 1.00 0.00 H HETATM 171 N NH2 A 13 -4.124 -6.627 0.237 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.881 -6.603 0.857 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -4.136 -6.215 -0.652 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 12 ATOM 1 N GLY A 1 6.726 0.112 3.825 1.00 0.00 N ATOM 2 CA GLY A 1 6.329 -1.016 2.942 1.00 0.00 C ATOM 3 C GLY A 1 5.034 -0.718 2.220 1.00 0.00 C ATOM 4 O GLY A 1 4.252 0.100 2.691 1.00 0.00 O ATOM 5 H1 GLY A 1 6.014 0.871 3.765 1.00 0.00 H ATOM 6 H2 GLY A 1 7.647 0.491 3.534 1.00 0.00 H ATOM 7 H3 GLY A 1 6.787 -0.213 4.811 1.00 0.00 H ATOM 8 HA2 GLY A 1 7.108 -1.186 2.213 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.204 -1.907 3.541 1.00 0.00 H ATOM 10 N CYS A 2 4.814 -1.367 1.078 1.00 0.00 N ATOM 11 CA CYS A 2 3.600 -1.148 0.292 1.00 0.00 C ATOM 12 C CYS A 2 2.348 -1.465 1.101 1.00 0.00 C ATOM 13 O CYS A 2 1.440 -0.651 1.190 1.00 0.00 O ATOM 14 CB CYS A 2 3.635 -1.992 -0.991 1.00 0.00 C ATOM 15 SG CYS A 2 2.007 -2.245 -1.778 1.00 0.00 S ATOM 16 H CYS A 2 5.485 -2.001 0.750 1.00 0.00 H ATOM 17 HA CYS A 2 3.572 -0.111 0.022 1.00 0.00 H ATOM 18 HB2 CYS A 2 4.273 -1.506 -1.713 1.00 0.00 H ATOM 19 HB3 CYS A 2 4.042 -2.966 -0.758 1.00 0.00 H HETATM 20 N ABA A 3 2.319 -2.647 1.690 1.00 0.00 N HETATM 21 CA ABA A 3 1.177 -3.082 2.496 1.00 0.00 C HETATM 22 C ABA A 3 0.998 -2.197 3.732 1.00 0.00 C HETATM 23 O ABA A 3 -0.113 -2.011 4.216 1.00 0.00 O HETATM 24 CB ABA A 3 1.356 -4.546 2.914 1.00 0.00 C HETATM 25 CG ABA A 3 0.173 -5.114 3.673 1.00 0.00 C HETATM 26 H ABA A 3 3.080 -3.244 1.580 1.00 0.00 H HETATM 27 HA ABA A 3 0.293 -3.001 1.882 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.227 -4.628 3.547 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.501 -5.150 2.031 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.497 -4.312 3.946 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.523 -5.610 4.567 1.00 0.00 H ATOM 32 N SER A 4 2.102 -1.675 4.244 1.00 0.00 N ATOM 33 CA SER A 4 2.090 -0.834 5.422 1.00 0.00 C ATOM 34 C SER A 4 1.479 0.544 5.144 1.00 0.00 C ATOM 35 O SER A 4 0.820 1.124 6.005 1.00 0.00 O ATOM 36 CB SER A 4 3.525 -0.673 5.904 1.00 0.00 C ATOM 37 OG SER A 4 4.312 -1.800 5.537 1.00 0.00 O ATOM 38 H SER A 4 2.959 -1.872 3.830 1.00 0.00 H ATOM 39 HA SER A 4 1.515 -1.331 6.188 1.00 0.00 H ATOM 40 HB2 SER A 4 3.957 0.215 5.465 1.00 0.00 H ATOM 41 HB3 SER A 4 3.528 -0.584 6.971 1.00 0.00 H ATOM 42 HG SER A 4 4.107 -2.533 6.130 1.00 0.00 H ATOM 43 N ASP A 5 1.730 1.074 3.953 1.00 0.00 N ATOM 44 CA ASP A 5 1.234 2.396 3.580 1.00 0.00 C ATOM 45 C ASP A 5 -0.146 2.320 2.943 1.00 0.00 C ATOM 46 O ASP A 5 -0.378 1.501 2.064 1.00 0.00 O ATOM 47 CB ASP A 5 2.182 3.049 2.581 1.00 0.00 C ATOM 48 CG ASP A 5 1.994 4.550 2.515 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.097 5.006 1.781 1.00 0.00 O ATOM 50 OD2 ASP A 5 2.724 5.279 3.213 1.00 0.00 O ATOM 51 H ASP A 5 2.277 0.574 3.314 1.00 0.00 H ATOM 52 HA ASP A 5 1.184 3.003 4.470 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.202 2.840 2.865 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.988 2.635 1.599 1.00 0.00 H ATOM 55 N PRO A 6 -1.077 3.195 3.355 1.00 0.00 N ATOM 56 CA PRO A 6 -2.438 3.230 2.801 1.00 0.00 C ATOM 57 C PRO A 6 -2.459 3.497 1.290 1.00 0.00 C ATOM 58 O PRO A 6 -3.449 3.219 0.617 1.00 0.00 O ATOM 59 CB PRO A 6 -3.106 4.390 3.552 1.00 0.00 C ATOM 60 CG PRO A 6 -2.280 4.589 4.775 1.00 0.00 C ATOM 61 CD PRO A 6 -0.876 4.225 4.387 1.00 0.00 C ATOM 62 HA PRO A 6 -2.970 2.313 3.006 1.00 0.00 H ATOM 63 HB2 PRO A 6 -3.107 5.271 2.928 1.00 0.00 H ATOM 64 HB3 PRO A 6 -4.121 4.120 3.802 1.00 0.00 H ATOM 65 HG2 PRO A 6 -2.326 5.623 5.085 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.630 3.942 5.564 1.00 0.00 H ATOM 67 HD2 PRO A 6 -0.361 5.083 3.980 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.340 3.824 5.234 1.00 0.00 H ATOM 69 N ARG A 7 -1.363 4.039 0.765 1.00 0.00 N ATOM 70 CA ARG A 7 -1.232 4.352 -0.634 1.00 0.00 C ATOM 71 C ARG A 7 -0.907 3.117 -1.451 1.00 0.00 C ATOM 72 O ARG A 7 -0.746 3.199 -2.663 1.00 0.00 O ATOM 73 CB ARG A 7 -0.123 5.362 -0.801 1.00 0.00 C ATOM 74 CG ARG A 7 -0.564 6.806 -0.645 1.00 0.00 C ATOM 75 CD ARG A 7 0.629 7.736 -0.489 1.00 0.00 C ATOM 76 NE ARG A 7 1.472 7.354 0.645 1.00 0.00 N ATOM 77 CZ ARG A 7 2.511 8.059 1.084 1.00 0.00 C ATOM 78 NH1 ARG A 7 2.838 9.208 0.498 1.00 0.00 N ATOM 79 NH2 ARG A 7 3.224 7.615 2.113 1.00 0.00 N ATOM 80 H ARG A 7 -0.603 4.235 1.338 1.00 0.00 H ATOM 81 HA ARG A 7 -2.159 4.779 -0.980 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.635 5.161 -0.057 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.303 5.226 -1.764 1.00 0.00 H ATOM 84 HG2 ARG A 7 -1.124 7.097 -1.521 1.00 0.00 H ATOM 85 HG3 ARG A 7 -1.191 6.888 0.230 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.220 7.700 -1.392 1.00 0.00 H ATOM 87 HD3 ARG A 7 0.268 8.741 -0.334 1.00 0.00 H ATOM 88 HE ARG A 7 1.249 6.496 1.107 1.00 0.00 H ATOM 89 HH11 ARG A 7 2.302 9.544 -0.276 1.00 0.00 H ATOM 90 HH12 ARG A 7 3.619 9.737 0.829 1.00 0.00 H ATOM 91 HH21 ARG A 7 2.974 6.733 2.562 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.005 8.134 2.452 1.00 0.00 H ATOM 93 N CYS A 8 -0.775 1.985 -0.785 1.00 0.00 N ATOM 94 CA CYS A 8 -0.438 0.746 -1.479 1.00 0.00 C ATOM 95 C CYS A 8 -0.978 -0.490 -0.753 1.00 0.00 C ATOM 96 O CYS A 8 -0.950 -1.601 -1.281 1.00 0.00 O ATOM 97 CB CYS A 8 1.088 0.665 -1.650 1.00 0.00 C ATOM 98 SG CYS A 8 1.685 -0.559 -2.866 1.00 0.00 S ATOM 99 H CYS A 8 -0.872 1.996 0.186 1.00 0.00 H ATOM 100 HA CYS A 8 -0.904 0.799 -2.436 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.454 1.631 -1.961 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.529 0.417 -0.694 1.00 0.00 H ATOM 103 N ALA A 9 -1.448 -0.273 0.457 1.00 0.00 N ATOM 104 CA ALA A 9 -1.987 -1.338 1.322 1.00 0.00 C ATOM 105 C ALA A 9 -3.037 -2.207 0.640 1.00 0.00 C ATOM 106 O ALA A 9 -3.133 -3.403 0.890 1.00 0.00 O ATOM 107 CB ALA A 9 -2.569 -0.732 2.591 1.00 0.00 C ATOM 108 H ALA A 9 -1.408 0.641 0.799 1.00 0.00 H ATOM 109 HA ALA A 9 -1.168 -1.963 1.606 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.036 0.176 2.833 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.471 -1.436 3.403 1.00 0.00 H ATOM 112 HB3 ALA A 9 -3.613 -0.506 2.434 1.00 0.00 H ATOM 113 N TRP A 10 -3.819 -1.593 -0.211 1.00 0.00 N ATOM 114 CA TRP A 10 -4.887 -2.276 -0.943 1.00 0.00 C ATOM 115 C TRP A 10 -4.354 -3.397 -1.833 1.00 0.00 C ATOM 116 O TRP A 10 -5.094 -4.298 -2.224 1.00 0.00 O ATOM 117 CB TRP A 10 -5.689 -1.257 -1.759 1.00 0.00 C ATOM 118 CG TRP A 10 -4.884 -0.058 -2.119 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.682 1.022 -1.325 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.191 0.206 -3.345 1.00 0.00 C ATOM 121 NE1 TRP A 10 -3.862 1.918 -1.948 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.561 1.451 -3.194 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.028 -0.489 -4.547 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -2.782 2.020 -4.185 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.255 0.084 -5.544 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.637 1.328 -5.355 1.00 0.00 C ATOM 127 H TRP A 10 -3.681 -0.640 -0.351 1.00 0.00 H ATOM 128 HA TRP A 10 -5.535 -2.715 -0.211 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.039 -1.718 -2.669 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.533 -0.921 -1.173 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.090 1.119 -0.331 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.550 2.764 -1.568 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.497 -1.448 -4.708 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.293 2.979 -4.038 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.118 -0.434 -6.480 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.043 1.738 -6.159 1.00 0.00 H ATOM 137 N ARG A 11 -3.073 -3.339 -2.135 1.00 0.00 N ATOM 138 CA ARG A 11 -2.430 -4.350 -2.966 1.00 0.00 C ATOM 139 C ARG A 11 -2.154 -5.628 -2.183 1.00 0.00 C ATOM 140 O ARG A 11 -2.087 -6.712 -2.756 1.00 0.00 O ATOM 141 CB ARG A 11 -1.132 -3.815 -3.567 1.00 0.00 C ATOM 142 CG ARG A 11 -1.351 -2.781 -4.658 1.00 0.00 C ATOM 143 CD ARG A 11 -0.036 -2.198 -5.147 1.00 0.00 C ATOM 144 NE ARG A 11 0.867 -3.226 -5.667 1.00 0.00 N ATOM 145 CZ ARG A 11 2.112 -2.980 -6.075 1.00 0.00 C ATOM 146 NH1 ARG A 11 2.609 -1.749 -5.997 1.00 0.00 N ATOM 147 NH2 ARG A 11 2.865 -3.969 -6.548 1.00 0.00 N ATOM 148 H ARG A 11 -2.541 -2.598 -1.777 1.00 0.00 H ATOM 149 HA ARG A 11 -3.110 -4.587 -3.766 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.545 -3.360 -2.783 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.576 -4.639 -3.990 1.00 0.00 H ATOM 152 HG2 ARG A 11 -1.856 -3.250 -5.490 1.00 0.00 H ATOM 153 HG3 ARG A 11 -1.965 -1.984 -4.265 1.00 0.00 H ATOM 154 HD2 ARG A 11 -0.245 -1.487 -5.931 1.00 0.00 H ATOM 155 HD3 ARG A 11 0.444 -1.694 -4.322 1.00 0.00 H ATOM 156 HE ARG A 11 0.522 -4.144 -5.716 1.00 0.00 H ATOM 157 HH11 ARG A 11 2.047 -1.004 -5.628 1.00 0.00 H ATOM 158 HH12 ARG A 11 3.543 -1.560 -6.303 1.00 0.00 H ATOM 159 HH21 ARG A 11 2.499 -4.902 -6.599 1.00 0.00 H ATOM 160 HH22 ARG A 11 3.801 -3.789 -6.858 1.00 0.00 H ATOM 161 N CYS A 12 -1.990 -5.498 -0.875 1.00 0.00 N ATOM 162 CA CYS A 12 -1.721 -6.656 -0.029 1.00 0.00 C ATOM 163 C CYS A 12 -3.007 -7.175 0.602 1.00 0.00 C ATOM 164 O CYS A 12 -2.985 -8.085 1.430 1.00 0.00 O ATOM 165 CB CYS A 12 -0.694 -6.315 1.061 1.00 0.00 C ATOM 166 SG CYS A 12 -1.276 -5.107 2.296 1.00 0.00 S ATOM 167 H CYS A 12 -2.058 -4.609 -0.470 1.00 0.00 H ATOM 168 HA CYS A 12 -1.311 -7.432 -0.659 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.430 -7.218 1.589 1.00 0.00 H ATOM 170 HB3 CYS A 12 0.190 -5.907 0.594 1.00 0.00 H HETATM 171 N NH2 A 13 -4.134 -6.597 0.209 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.138 -6.126 -0.651 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -4.917 -6.663 0.794 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 13 ATOM 1 N GLY A 1 6.752 0.054 3.734 1.00 0.00 N ATOM 2 CA GLY A 1 6.325 -1.067 2.856 1.00 0.00 C ATOM 3 C GLY A 1 5.018 -0.753 2.164 1.00 0.00 C ATOM 4 O GLY A 1 4.247 0.059 2.664 1.00 0.00 O ATOM 5 H1 GLY A 1 6.042 0.816 3.702 1.00 0.00 H ATOM 6 H2 GLY A 1 7.667 0.432 3.417 1.00 0.00 H ATOM 7 H3 GLY A 1 6.845 -0.276 4.714 1.00 0.00 H ATOM 8 HA2 GLY A 1 7.086 -1.239 2.109 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.205 -1.957 3.453 1.00 0.00 H ATOM 10 N CYS A 2 4.775 -1.380 1.016 1.00 0.00 N ATOM 11 CA CYS A 2 3.547 -1.146 0.256 1.00 0.00 C ATOM 12 C CYS A 2 2.307 -1.454 1.090 1.00 0.00 C ATOM 13 O CYS A 2 1.397 -0.642 1.180 1.00 0.00 O ATOM 14 CB CYS A 2 3.545 -1.979 -1.033 1.00 0.00 C ATOM 15 SG CYS A 2 1.885 -2.334 -1.702 1.00 0.00 S ATOM 16 H CYS A 2 5.437 -2.010 0.663 1.00 0.00 H ATOM 17 HA CYS A 2 3.523 -0.105 -0.006 1.00 0.00 H ATOM 18 HB2 CYS A 2 4.095 -1.448 -1.795 1.00 0.00 H ATOM 19 HB3 CYS A 2 4.031 -2.925 -0.841 1.00 0.00 H HETATM 20 N ABA A 3 2.290 -2.629 1.696 1.00 0.00 N HETATM 21 CA ABA A 3 1.161 -3.056 2.522 1.00 0.00 C HETATM 22 C ABA A 3 0.996 -2.158 3.748 1.00 0.00 C HETATM 23 O ABA A 3 -0.114 -1.932 4.218 1.00 0.00 O HETATM 24 CB ABA A 3 1.344 -4.512 2.957 1.00 0.00 C HETATM 25 CG ABA A 3 0.145 -5.084 3.684 1.00 0.00 C HETATM 26 H ABA A 3 3.050 -3.227 1.581 1.00 0.00 H HETATM 27 HA ABA A 3 0.268 -2.982 1.919 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.197 -4.577 3.617 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.523 -5.122 2.085 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.464 -4.276 4.062 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.482 -5.696 4.507 1.00 0.00 H ATOM 32 N SER A 4 2.113 -1.674 4.270 1.00 0.00 N ATOM 33 CA SER A 4 2.116 -0.825 5.441 1.00 0.00 C ATOM 34 C SER A 4 1.523 0.558 5.153 1.00 0.00 C ATOM 35 O SER A 4 0.896 1.166 6.017 1.00 0.00 O ATOM 36 CB SER A 4 3.556 -0.679 5.919 1.00 0.00 C ATOM 37 OG SER A 4 4.337 -1.800 5.519 1.00 0.00 O ATOM 38 H SER A 4 2.966 -1.901 3.866 1.00 0.00 H ATOM 39 HA SER A 4 1.536 -1.307 6.213 1.00 0.00 H ATOM 40 HB2 SER A 4 3.987 0.217 5.498 1.00 0.00 H ATOM 41 HB3 SER A 4 3.566 -0.618 6.988 1.00 0.00 H ATOM 42 HG SER A 4 4.167 -2.534 6.122 1.00 0.00 H ATOM 43 N ASP A 5 1.755 1.057 3.945 1.00 0.00 N ATOM 44 CA ASP A 5 1.275 2.379 3.555 1.00 0.00 C ATOM 45 C ASP A 5 -0.121 2.314 2.950 1.00 0.00 C ATOM 46 O ASP A 5 -0.392 1.477 2.097 1.00 0.00 O ATOM 47 CB ASP A 5 2.210 2.992 2.522 1.00 0.00 C ATOM 48 CG ASP A 5 2.067 4.497 2.449 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.171 4.976 1.731 1.00 0.00 O ATOM 50 OD2 ASP A 5 2.833 5.209 3.128 1.00 0.00 O ATOM 51 H ASP A 5 2.278 0.533 3.304 1.00 0.00 H ATOM 52 HA ASP A 5 1.255 3.005 4.432 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.232 2.753 2.775 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.970 2.576 1.550 1.00 0.00 H ATOM 55 N PRO A 6 -1.022 3.220 3.356 1.00 0.00 N ATOM 56 CA PRO A 6 -2.392 3.274 2.827 1.00 0.00 C ATOM 57 C PRO A 6 -2.431 3.532 1.316 1.00 0.00 C ATOM 58 O PRO A 6 -3.440 3.281 0.660 1.00 0.00 O ATOM 59 CB PRO A 6 -3.030 4.447 3.583 1.00 0.00 C ATOM 60 CG PRO A 6 -2.165 4.662 4.776 1.00 0.00 C ATOM 61 CD PRO A 6 -0.778 4.275 4.352 1.00 0.00 C ATOM 62 HA PRO A 6 -2.932 2.364 3.047 1.00 0.00 H ATOM 63 HB2 PRO A 6 -3.048 5.319 2.946 1.00 0.00 H ATOM 64 HB3 PRO A 6 -4.038 4.186 3.870 1.00 0.00 H ATOM 65 HG2 PRO A 6 -2.192 5.701 5.068 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.496 4.033 5.589 1.00 0.00 H ATOM 67 HD2 PRO A 6 -0.269 5.117 3.909 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.219 3.890 5.192 1.00 0.00 H ATOM 69 N ARG A 7 -1.327 4.034 0.769 1.00 0.00 N ATOM 70 CA ARG A 7 -1.211 4.332 -0.636 1.00 0.00 C ATOM 71 C ARG A 7 -0.944 3.083 -1.453 1.00 0.00 C ATOM 72 O ARG A 7 -0.839 3.151 -2.671 1.00 0.00 O ATOM 73 CB ARG A 7 -0.077 5.312 -0.833 1.00 0.00 C ATOM 74 CG ARG A 7 -0.488 6.770 -0.716 1.00 0.00 C ATOM 75 CD ARG A 7 0.723 7.680 -0.572 1.00 0.00 C ATOM 76 NE ARG A 7 1.557 7.302 0.569 1.00 0.00 N ATOM 77 CZ ARG A 7 2.597 8.007 1.010 1.00 0.00 C ATOM 78 NH1 ARG A 7 2.926 9.155 0.428 1.00 0.00 N ATOM 79 NH2 ARG A 7 3.305 7.560 2.041 1.00 0.00 N ATOM 80 H ARG A 7 -0.550 4.210 1.328 1.00 0.00 H ATOM 81 HA ARG A 7 -2.132 4.787 -0.965 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.679 5.115 -0.086 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.343 5.142 -1.795 1.00 0.00 H ATOM 84 HG2 ARG A 7 -1.035 7.053 -1.601 1.00 0.00 H ATOM 85 HG3 ARG A 7 -1.118 6.886 0.153 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.314 7.619 -1.474 1.00 0.00 H ATOM 87 HD3 ARG A 7 0.380 8.696 -0.436 1.00 0.00 H ATOM 88 HE ARG A 7 1.330 6.448 1.035 1.00 0.00 H ATOM 89 HH11 ARG A 7 2.393 9.495 -0.348 1.00 0.00 H ATOM 90 HH12 ARG A 7 3.707 9.684 0.761 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.053 6.679 2.489 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.087 8.078 2.382 1.00 0.00 H ATOM 93 N CYS A 8 -0.806 1.952 -0.785 1.00 0.00 N ATOM 94 CA CYS A 8 -0.535 0.702 -1.487 1.00 0.00 C ATOM 95 C CYS A 8 -1.060 -0.518 -0.726 1.00 0.00 C ATOM 96 O CYS A 8 -1.024 -1.641 -1.223 1.00 0.00 O ATOM 97 CB CYS A 8 0.972 0.579 -1.756 1.00 0.00 C ATOM 98 SG CYS A 8 1.458 -0.753 -2.907 1.00 0.00 S ATOM 99 H CYS A 8 -0.865 1.968 0.190 1.00 0.00 H ATOM 100 HA CYS A 8 -1.061 0.758 -2.415 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.326 1.509 -2.171 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.478 0.400 -0.817 1.00 0.00 H ATOM 103 N ALA A 9 -1.538 -0.282 0.477 1.00 0.00 N ATOM 104 CA ALA A 9 -2.069 -1.342 1.351 1.00 0.00 C ATOM 105 C ALA A 9 -3.115 -2.215 0.658 1.00 0.00 C ATOM 106 O ALA A 9 -3.248 -3.402 0.942 1.00 0.00 O ATOM 107 CB ALA A 9 -2.660 -0.733 2.614 1.00 0.00 C ATOM 108 H ALA A 9 -1.516 0.640 0.802 1.00 0.00 H ATOM 109 HA ALA A 9 -1.248 -1.966 1.638 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.679 -1.476 3.396 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.667 -0.395 2.414 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.054 0.106 2.927 1.00 0.00 H ATOM 113 N TRP A 10 -3.845 -1.610 -0.247 1.00 0.00 N ATOM 114 CA TRP A 10 -4.899 -2.282 -1.006 1.00 0.00 C ATOM 115 C TRP A 10 -4.346 -3.324 -1.977 1.00 0.00 C ATOM 116 O TRP A 10 -5.099 -4.051 -2.625 1.00 0.00 O ATOM 117 CB TRP A 10 -5.734 -1.245 -1.754 1.00 0.00 C ATOM 118 CG TRP A 10 -4.967 -0.013 -2.082 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.721 1.010 -1.229 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.371 0.352 -3.333 1.00 0.00 C ATOM 121 NE1 TRP A 10 -3.958 1.961 -1.842 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.746 1.593 -3.137 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.292 -0.250 -4.592 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.051 2.248 -4.140 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.602 0.405 -5.598 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.988 1.643 -5.365 1.00 0.00 C ATOM 127 H TRP A 10 -3.675 -0.666 -0.410 1.00 0.00 H ATOM 128 HA TRP A 10 -5.530 -2.783 -0.295 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.088 -1.677 -2.675 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.571 -0.957 -1.138 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.056 1.026 -0.204 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.628 2.782 -1.423 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.760 -1.203 -4.789 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.565 3.201 -3.960 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.531 -0.039 -6.580 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.460 2.121 -6.179 1.00 0.00 H ATOM 137 N ARG A 11 -3.035 -3.386 -2.076 1.00 0.00 N ATOM 138 CA ARG A 11 -2.376 -4.342 -2.960 1.00 0.00 C ATOM 139 C ARG A 11 -2.029 -5.626 -2.221 1.00 0.00 C ATOM 140 O ARG A 11 -1.978 -6.697 -2.820 1.00 0.00 O ATOM 141 CB ARG A 11 -1.124 -3.733 -3.597 1.00 0.00 C ATOM 142 CG ARG A 11 -1.416 -2.600 -4.575 1.00 0.00 C ATOM 143 CD ARG A 11 -2.255 -3.067 -5.764 1.00 0.00 C ATOM 144 NE ARG A 11 -3.636 -3.379 -5.383 1.00 0.00 N ATOM 145 CZ ARG A 11 -4.550 -3.882 -6.210 1.00 0.00 C ATOM 146 NH1 ARG A 11 -4.252 -4.106 -7.487 1.00 0.00 N ATOM 147 NH2 ARG A 11 -5.767 -4.165 -5.753 1.00 0.00 N ATOM 148 H ARG A 11 -2.494 -2.772 -1.538 1.00 0.00 H ATOM 149 HA ARG A 11 -3.074 -4.588 -3.739 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.490 -3.346 -2.814 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.593 -4.509 -4.127 1.00 0.00 H ATOM 152 HG2 ARG A 11 -1.953 -1.821 -4.056 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.478 -2.207 -4.942 1.00 0.00 H ATOM 154 HD2 ARG A 11 -2.266 -2.285 -6.508 1.00 0.00 H ATOM 155 HD3 ARG A 11 -1.798 -3.951 -6.183 1.00 0.00 H ATOM 156 HE ARG A 11 -3.891 -3.209 -4.447 1.00 0.00 H ATOM 157 HH11 ARG A 11 -3.336 -3.894 -7.833 1.00 0.00 H ATOM 158 HH12 ARG A 11 -4.939 -4.485 -8.109 1.00 0.00 H ATOM 159 HH21 ARG A 11 -5.992 -3.999 -4.786 1.00 0.00 H ATOM 160 HH22 ARG A 11 -6.463 -4.544 -6.364 1.00 0.00 H ATOM 161 N CYS A 12 -1.803 -5.517 -0.923 1.00 0.00 N ATOM 162 CA CYS A 12 -1.472 -6.684 -0.112 1.00 0.00 C ATOM 163 C CYS A 12 -2.734 -7.335 0.446 1.00 0.00 C ATOM 164 O CYS A 12 -2.667 -8.330 1.164 1.00 0.00 O ATOM 165 CB CYS A 12 -0.526 -6.304 1.031 1.00 0.00 C ATOM 166 SG CYS A 12 -1.240 -5.145 2.243 1.00 0.00 S ATOM 167 H CYS A 12 -1.872 -4.639 -0.498 1.00 0.00 H ATOM 168 HA CYS A 12 -0.973 -7.396 -0.753 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.240 -7.198 1.564 1.00 0.00 H ATOM 170 HB3 CYS A 12 0.359 -5.842 0.616 1.00 0.00 H HETATM 171 N NH2 A 13 -3.887 -6.766 0.115 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.406 -6.327 0.820 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -4.172 -6.811 -0.820 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 14 ATOM 1 N GLY A 1 6.423 0.164 2.831 1.00 0.00 N ATOM 2 CA GLY A 1 5.981 -0.978 1.989 1.00 0.00 C ATOM 3 C GLY A 1 4.547 -0.800 1.561 1.00 0.00 C ATOM 4 O GLY A 1 3.817 -0.073 2.217 1.00 0.00 O ATOM 5 H1 GLY A 1 5.612 0.795 3.017 1.00 0.00 H ATOM 6 H2 GLY A 1 7.164 0.707 2.343 1.00 0.00 H ATOM 7 H3 GLY A 1 6.794 -0.179 3.738 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.606 -1.038 1.111 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.073 -1.893 2.556 1.00 0.00 H ATOM 10 N CYS A 2 4.144 -1.438 0.465 1.00 0.00 N ATOM 11 CA CYS A 2 2.780 -1.311 -0.032 1.00 0.00 C ATOM 12 C CYS A 2 1.756 -1.694 1.025 1.00 0.00 C ATOM 13 O CYS A 2 0.856 -0.924 1.334 1.00 0.00 O ATOM 14 CB CYS A 2 2.596 -2.171 -1.282 1.00 0.00 C ATOM 15 SG CYS A 2 2.789 -1.261 -2.847 1.00 0.00 S ATOM 16 H CYS A 2 4.772 -1.997 -0.032 1.00 0.00 H ATOM 17 HA CYS A 2 2.625 -0.283 -0.295 1.00 0.00 H ATOM 18 HB2 CYS A 2 3.327 -2.964 -1.274 1.00 0.00 H ATOM 19 HB3 CYS A 2 1.613 -2.601 -1.266 1.00 0.00 H HETATM 20 N ABA A 3 1.904 -2.882 1.579 1.00 0.00 N HETATM 21 CA ABA A 3 0.986 -3.371 2.604 1.00 0.00 C HETATM 22 C ABA A 3 0.964 -2.439 3.813 1.00 0.00 C HETATM 23 O ABA A 3 -0.087 -2.185 4.395 1.00 0.00 O HETATM 24 CB ABA A 3 1.381 -4.786 3.036 1.00 0.00 C HETATM 25 CG ABA A 3 0.370 -5.450 3.950 1.00 0.00 C HETATM 26 H ABA A 3 2.644 -3.446 1.291 1.00 0.00 H HETATM 27 HA ABA A 3 -0.004 -3.402 2.172 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.325 -4.744 3.559 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.488 -5.406 2.159 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.612 -5.046 3.754 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.639 -5.262 4.979 1.00 0.00 H ATOM 32 N SER A 4 2.133 -1.942 4.185 1.00 0.00 N ATOM 33 CA SER A 4 2.268 -1.050 5.321 1.00 0.00 C ATOM 34 C SER A 4 2.137 0.428 4.930 1.00 0.00 C ATOM 35 O SER A 4 2.796 1.284 5.522 1.00 0.00 O ATOM 36 CB SER A 4 3.625 -1.305 5.972 1.00 0.00 C ATOM 37 OG SER A 4 4.475 -2.050 5.101 1.00 0.00 O ATOM 38 H SER A 4 2.935 -2.181 3.686 1.00 0.00 H ATOM 39 HA SER A 4 1.493 -1.294 6.030 1.00 0.00 H ATOM 40 HB2 SER A 4 4.097 -0.361 6.191 1.00 0.00 H ATOM 41 HB3 SER A 4 3.487 -1.863 6.885 1.00 0.00 H ATOM 42 HG SER A 4 4.756 -2.853 5.551 1.00 0.00 H ATOM 43 N ASP A 5 1.297 0.730 3.944 1.00 0.00 N ATOM 44 CA ASP A 5 1.108 2.115 3.508 1.00 0.00 C ATOM 45 C ASP A 5 -0.280 2.321 2.926 1.00 0.00 C ATOM 46 O ASP A 5 -0.715 1.546 2.091 1.00 0.00 O ATOM 47 CB ASP A 5 2.126 2.497 2.443 1.00 0.00 C ATOM 48 CG ASP A 5 2.233 3.998 2.281 1.00 0.00 C ATOM 49 OD1 ASP A 5 2.781 4.665 3.179 1.00 0.00 O ATOM 50 OD2 ASP A 5 1.734 4.526 1.274 1.00 0.00 O ATOM 51 H ASP A 5 0.792 0.015 3.501 1.00 0.00 H ATOM 52 HA ASP A 5 1.233 2.760 4.366 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.095 2.104 2.711 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.809 2.071 1.497 1.00 0.00 H ATOM 55 N PRO A 6 -0.994 3.375 3.338 1.00 0.00 N ATOM 56 CA PRO A 6 -2.340 3.665 2.826 1.00 0.00 C ATOM 57 C PRO A 6 -2.372 3.914 1.311 1.00 0.00 C ATOM 58 O PRO A 6 -3.423 3.806 0.679 1.00 0.00 O ATOM 59 CB PRO A 6 -2.746 4.940 3.579 1.00 0.00 C ATOM 60 CG PRO A 6 -1.840 5.004 4.761 1.00 0.00 C ATOM 61 CD PRO A 6 -0.552 4.369 4.325 1.00 0.00 C ATOM 62 HA PRO A 6 -3.030 2.871 3.069 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.615 5.797 2.934 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.781 4.866 3.880 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.675 6.033 5.043 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.270 4.452 5.584 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.097 5.104 3.873 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.062 3.892 5.162 1.00 0.00 H ATOM 69 N ARG A 7 -1.222 4.256 0.735 1.00 0.00 N ATOM 70 CA ARG A 7 -1.108 4.534 -0.675 1.00 0.00 C ATOM 71 C ARG A 7 -1.037 3.264 -1.503 1.00 0.00 C ATOM 72 O ARG A 7 -1.042 3.335 -2.723 1.00 0.00 O ATOM 73 CB ARG A 7 0.141 5.358 -0.933 1.00 0.00 C ATOM 74 CG ARG A 7 -0.066 6.866 -0.910 1.00 0.00 C ATOM 75 CD ARG A 7 -0.367 7.388 0.489 1.00 0.00 C ATOM 76 NE ARG A 7 0.626 6.951 1.474 1.00 0.00 N ATOM 77 CZ ARG A 7 0.816 7.531 2.660 1.00 0.00 C ATOM 78 NH1 ARG A 7 0.135 8.627 2.986 1.00 0.00 N ATOM 79 NH2 ARG A 7 1.693 7.018 3.515 1.00 0.00 N ATOM 80 H ARG A 7 -0.417 4.323 1.271 1.00 0.00 H ATOM 81 HA ARG A 7 -1.973 5.104 -0.976 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.870 5.114 -0.176 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.532 5.076 -1.882 1.00 0.00 H ATOM 84 HG2 ARG A 7 0.831 7.345 -1.272 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.891 7.113 -1.560 1.00 0.00 H ATOM 86 HD2 ARG A 7 -0.376 8.468 0.462 1.00 0.00 H ATOM 87 HD3 ARG A 7 -1.340 7.029 0.791 1.00 0.00 H ATOM 88 HE ARG A 7 1.172 6.145 1.248 1.00 0.00 H ATOM 89 HH11 ARG A 7 -0.524 9.019 2.342 1.00 0.00 H ATOM 90 HH12 ARG A 7 0.280 9.065 3.874 1.00 0.00 H ATOM 91 HH21 ARG A 7 2.216 6.177 3.267 1.00 0.00 H ATOM 92 HH22 ARG A 7 1.849 7.447 4.402 1.00 0.00 H ATOM 93 N CYS A 8 -0.925 2.111 -0.853 1.00 0.00 N ATOM 94 CA CYS A 8 -0.818 0.854 -1.591 1.00 0.00 C ATOM 95 C CYS A 8 -1.193 -0.361 -0.735 1.00 0.00 C ATOM 96 O CYS A 8 -0.921 -1.505 -1.101 1.00 0.00 O ATOM 97 CB CYS A 8 0.613 0.723 -2.122 1.00 0.00 C ATOM 98 SG CYS A 8 0.897 -0.656 -3.284 1.00 0.00 S ATOM 99 H CYS A 8 -0.877 2.112 0.124 1.00 0.00 H ATOM 100 HA CYS A 8 -1.504 0.914 -2.418 1.00 0.00 H ATOM 101 HB2 CYS A 8 0.879 1.636 -2.629 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.277 0.584 -1.282 1.00 0.00 H ATOM 103 N ALA A 9 -1.812 -0.102 0.402 1.00 0.00 N ATOM 104 CA ALA A 9 -2.227 -1.159 1.340 1.00 0.00 C ATOM 105 C ALA A 9 -3.157 -2.171 0.689 1.00 0.00 C ATOM 106 O ALA A 9 -3.192 -3.344 1.061 1.00 0.00 O ATOM 107 CB ALA A 9 -2.897 -0.551 2.565 1.00 0.00 C ATOM 108 H ALA A 9 -1.976 0.834 0.633 1.00 0.00 H ATOM 109 HA ALA A 9 -1.344 -1.669 1.664 1.00 0.00 H ATOM 110 HB1 ALA A 9 -3.964 -0.503 2.405 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.513 0.446 2.727 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.689 -1.163 3.428 1.00 0.00 H ATOM 113 N TRP A 10 -3.900 -1.695 -0.284 1.00 0.00 N ATOM 114 CA TRP A 10 -4.854 -2.509 -1.032 1.00 0.00 C ATOM 115 C TRP A 10 -4.142 -3.602 -1.820 1.00 0.00 C ATOM 116 O TRP A 10 -4.735 -4.615 -2.183 1.00 0.00 O ATOM 117 CB TRP A 10 -5.704 -1.610 -1.939 1.00 0.00 C ATOM 118 CG TRP A 10 -5.060 -0.291 -2.207 1.00 0.00 C ATOM 119 CD1 TRP A 10 -5.092 0.787 -1.382 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.312 0.104 -3.362 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.364 1.812 -1.919 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.891 1.427 -3.140 1.00 0.00 C ATOM 123 CE3 TRP A 10 -3.946 -0.527 -4.553 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.125 2.128 -4.055 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.185 0.176 -5.471 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.779 1.492 -5.215 1.00 0.00 C ATOM 127 H TRP A 10 -3.804 -0.753 -0.512 1.00 0.00 H ATOM 128 HA TRP A 10 -5.493 -2.979 -0.313 1.00 0.00 H ATOM 129 HB2 TRP A 10 -5.875 -2.103 -2.882 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.651 -1.415 -1.455 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.594 0.796 -0.427 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.218 2.688 -1.504 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.251 -1.541 -4.766 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.793 3.142 -3.854 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -2.892 -0.293 -6.399 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.186 2.004 -5.958 1.00 0.00 H ATOM 137 N ARG A 11 -2.855 -3.403 -2.038 1.00 0.00 N ATOM 138 CA ARG A 11 -2.029 -4.380 -2.735 1.00 0.00 C ATOM 139 C ARG A 11 -1.401 -5.334 -1.725 1.00 0.00 C ATOM 140 O ARG A 11 -0.212 -5.643 -1.796 1.00 0.00 O ATOM 141 CB ARG A 11 -0.937 -3.688 -3.554 1.00 0.00 C ATOM 142 CG ARG A 11 -1.466 -2.915 -4.748 1.00 0.00 C ATOM 143 CD ARG A 11 -2.206 -3.828 -5.714 1.00 0.00 C ATOM 144 NE ARG A 11 -1.353 -4.909 -6.208 1.00 0.00 N ATOM 145 CZ ARG A 11 -1.772 -5.880 -7.018 1.00 0.00 C ATOM 146 NH1 ARG A 11 -3.037 -5.911 -7.424 1.00 0.00 N ATOM 147 NH2 ARG A 11 -0.923 -6.822 -7.419 1.00 0.00 N ATOM 148 H ARG A 11 -2.439 -2.591 -1.683 1.00 0.00 H ATOM 149 HA ARG A 11 -2.668 -4.944 -3.399 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.407 -2.998 -2.914 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.244 -4.434 -3.913 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.144 -2.151 -4.400 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.636 -2.456 -5.266 1.00 0.00 H ATOM 154 HD2 ARG A 11 -3.056 -4.257 -5.204 1.00 0.00 H ATOM 155 HD3 ARG A 11 -2.551 -3.241 -6.552 1.00 0.00 H ATOM 156 HE ARG A 11 -0.413 -4.904 -5.917 1.00 0.00 H ATOM 157 HH11 ARG A 11 -3.679 -5.203 -7.122 1.00 0.00 H ATOM 158 HH12 ARG A 11 -3.355 -6.640 -8.033 1.00 0.00 H ATOM 159 HH21 ARG A 11 0.032 -6.804 -7.113 1.00 0.00 H ATOM 160 HH22 ARG A 11 -1.233 -7.556 -8.026 1.00 0.00 H ATOM 161 N CYS A 12 -2.208 -5.777 -0.776 1.00 0.00 N ATOM 162 CA CYS A 12 -1.752 -6.680 0.268 1.00 0.00 C ATOM 163 C CYS A 12 -2.905 -7.561 0.736 1.00 0.00 C ATOM 164 O CYS A 12 -2.697 -8.623 1.317 1.00 0.00 O ATOM 165 CB CYS A 12 -1.190 -5.867 1.439 1.00 0.00 C ATOM 166 SG CYS A 12 -0.422 -6.854 2.765 1.00 0.00 S ATOM 167 H CYS A 12 -3.144 -5.481 -0.771 1.00 0.00 H ATOM 168 HA CYS A 12 -0.972 -7.304 -0.141 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.439 -5.189 1.065 1.00 0.00 H ATOM 170 HB3 CYS A 12 -1.993 -5.293 1.881 1.00 0.00 H HETATM 171 N NH2 A 13 -4.129 -7.119 0.471 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -4.576 -7.453 -0.335 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -4.534 -6.479 1.092 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 15 ATOM 1 N GLY A 1 6.409 0.905 3.239 1.00 0.00 N ATOM 2 CA GLY A 1 6.189 -0.336 2.449 1.00 0.00 C ATOM 3 C GLY A 1 4.783 -0.378 1.901 1.00 0.00 C ATOM 4 O GLY A 1 3.875 0.087 2.565 1.00 0.00 O ATOM 5 H1 GLY A 1 5.501 1.402 3.377 1.00 0.00 H ATOM 6 H2 GLY A 1 7.063 1.539 2.740 1.00 0.00 H ATOM 7 H3 GLY A 1 6.808 0.673 4.171 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.889 -0.365 1.628 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.349 -1.195 3.085 1.00 0.00 H ATOM 10 N CYS A 2 4.615 -0.905 0.688 1.00 0.00 N ATOM 11 CA CYS A 2 3.297 -0.970 0.037 1.00 0.00 C ATOM 12 C CYS A 2 2.195 -1.488 0.960 1.00 0.00 C ATOM 13 O CYS A 2 1.175 -0.832 1.135 1.00 0.00 O ATOM 14 CB CYS A 2 3.374 -1.830 -1.234 1.00 0.00 C ATOM 15 SG CYS A 2 1.756 -2.385 -1.868 1.00 0.00 S ATOM 16 H CYS A 2 5.396 -1.242 0.202 1.00 0.00 H ATOM 17 HA CYS A 2 3.040 0.030 -0.250 1.00 0.00 H ATOM 18 HB2 CYS A 2 3.852 -1.259 -2.016 1.00 0.00 H ATOM 19 HB3 CYS A 2 3.965 -2.711 -1.026 1.00 0.00 H HETATM 20 N ABA A 3 2.400 -2.658 1.541 1.00 0.00 N HETATM 21 CA ABA A 3 1.402 -3.252 2.429 1.00 0.00 C HETATM 22 C ABA A 3 1.129 -2.364 3.642 1.00 0.00 C HETATM 23 O ABA A 3 -0.020 -2.134 4.009 1.00 0.00 O HETATM 24 CB ABA A 3 1.852 -4.642 2.885 1.00 0.00 C HETATM 25 CG ABA A 3 0.830 -5.365 3.741 1.00 0.00 C HETATM 26 H ABA A 3 3.227 -3.132 1.361 1.00 0.00 H HETATM 27 HA ABA A 3 0.485 -3.353 1.867 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.761 -4.547 3.462 1.00 0.00 H HETATM 29 HB2 ABA A 3 2.046 -5.253 2.016 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.164 -5.116 3.402 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.946 -5.062 4.772 1.00 0.00 H ATOM 32 N SER A 4 2.190 -1.868 4.255 1.00 0.00 N ATOM 33 CA SER A 4 2.067 -1.006 5.425 1.00 0.00 C ATOM 34 C SER A 4 1.997 0.470 5.017 1.00 0.00 C ATOM 35 O SER A 4 2.675 1.318 5.602 1.00 0.00 O ATOM 36 CB SER A 4 3.252 -1.250 6.371 1.00 0.00 C ATOM 37 OG SER A 4 3.105 -0.541 7.588 1.00 0.00 O ATOM 38 H SER A 4 3.078 -2.082 3.912 1.00 0.00 H ATOM 39 HA SER A 4 1.153 -1.269 5.935 1.00 0.00 H ATOM 40 HB2 SER A 4 3.317 -2.305 6.593 1.00 0.00 H ATOM 41 HB3 SER A 4 4.164 -0.928 5.890 1.00 0.00 H ATOM 42 HG SER A 4 2.847 0.369 7.397 1.00 0.00 H ATOM 43 N ASP A 5 1.191 0.769 4.007 1.00 0.00 N ATOM 44 CA ASP A 5 1.045 2.140 3.522 1.00 0.00 C ATOM 45 C ASP A 5 -0.334 2.329 2.915 1.00 0.00 C ATOM 46 O ASP A 5 -0.742 1.542 2.076 1.00 0.00 O ATOM 47 CB ASP A 5 2.099 2.433 2.455 1.00 0.00 C ATOM 48 CG ASP A 5 2.354 3.913 2.256 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.420 4.643 1.866 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.504 4.349 2.478 1.00 0.00 O ATOM 51 H ASP A 5 0.680 0.053 3.570 1.00 0.00 H ATOM 52 HA ASP A 5 1.171 2.816 4.353 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.028 1.962 2.738 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.762 2.015 1.514 1.00 0.00 H ATOM 55 N PRO A 6 -1.070 3.377 3.302 1.00 0.00 N ATOM 56 CA PRO A 6 -2.406 3.643 2.753 1.00 0.00 C ATOM 57 C PRO A 6 -2.379 3.836 1.232 1.00 0.00 C ATOM 58 O PRO A 6 -3.396 3.693 0.554 1.00 0.00 O ATOM 59 CB PRO A 6 -2.838 4.939 3.452 1.00 0.00 C ATOM 60 CG PRO A 6 -1.577 5.542 3.978 1.00 0.00 C ATOM 61 CD PRO A 6 -0.664 4.391 4.287 1.00 0.00 C ATOM 62 HA PRO A 6 -3.097 2.850 2.999 1.00 0.00 H ATOM 63 HB2 PRO A 6 -3.318 5.592 2.739 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.524 4.706 4.252 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.135 6.180 3.228 1.00 0.00 H ATOM 66 HG3 PRO A 6 -1.787 6.106 4.876 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.369 4.678 4.145 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.826 4.037 5.294 1.00 0.00 H ATOM 69 N ARG A 7 -1.203 4.162 0.715 1.00 0.00 N ATOM 70 CA ARG A 7 -0.992 4.389 -0.687 1.00 0.00 C ATOM 71 C ARG A 7 -0.888 3.096 -1.472 1.00 0.00 C ATOM 72 O ARG A 7 -0.823 3.125 -2.695 1.00 0.00 O ATOM 73 CB ARG A 7 0.286 5.181 -0.851 1.00 0.00 C ATOM 74 CG ARG A 7 0.114 6.675 -0.645 1.00 0.00 C ATOM 75 CD ARG A 7 1.456 7.383 -0.579 1.00 0.00 C ATOM 76 NE ARG A 7 2.316 6.829 0.466 1.00 0.00 N ATOM 77 CZ ARG A 7 3.504 7.330 0.802 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.958 8.430 0.209 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.235 6.729 1.730 1.00 0.00 N ATOM 80 H ARG A 7 -0.433 4.255 1.300 1.00 0.00 H ATOM 81 HA ARG A 7 -1.817 4.972 -1.065 1.00 0.00 H ATOM 82 HB2 ARG A 7 1.005 4.822 -0.129 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.664 5.003 -1.826 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.455 7.080 -1.467 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.417 6.842 0.281 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.951 7.279 -1.533 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.286 8.431 -0.375 1.00 0.00 H ATOM 88 HE ARG A 7 1.991 6.014 0.941 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.407 8.885 -0.490 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.849 8.806 0.462 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.888 5.882 2.179 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.123 7.097 1.995 1.00 0.00 H ATOM 93 N CYS A 8 -0.830 1.965 -0.782 1.00 0.00 N ATOM 94 CA CYS A 8 -0.700 0.685 -1.476 1.00 0.00 C ATOM 95 C CYS A 8 -1.171 -0.503 -0.625 1.00 0.00 C ATOM 96 O CYS A 8 -0.970 -1.659 -0.986 1.00 0.00 O ATOM 97 CB CYS A 8 0.768 0.502 -1.896 1.00 0.00 C ATOM 98 SG CYS A 8 1.103 -0.867 -3.057 1.00 0.00 S ATOM 99 H CYS A 8 -0.839 2.000 0.195 1.00 0.00 H ATOM 100 HA CYS A 8 -1.319 0.739 -2.349 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.105 1.411 -2.367 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.360 0.330 -1.009 1.00 0.00 H ATOM 103 N ALA A 9 -1.800 -0.211 0.496 1.00 0.00 N ATOM 104 CA ALA A 9 -2.298 -1.249 1.412 1.00 0.00 C ATOM 105 C ALA A 9 -3.269 -2.192 0.720 1.00 0.00 C ATOM 106 O ALA A 9 -3.366 -3.373 1.047 1.00 0.00 O ATOM 107 CB ALA A 9 -2.956 -0.616 2.628 1.00 0.00 C ATOM 108 H ALA A 9 -1.924 0.731 0.728 1.00 0.00 H ATOM 109 HA ALA A 9 -1.453 -1.817 1.746 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.763 0.447 2.631 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.552 -1.058 3.527 1.00 0.00 H ATOM 112 HB3 ALA A 9 -4.022 -0.788 2.590 1.00 0.00 H ATOM 113 N TRP A 10 -3.973 -1.641 -0.241 1.00 0.00 N ATOM 114 CA TRP A 10 -4.958 -2.365 -1.032 1.00 0.00 C ATOM 115 C TRP A 10 -4.305 -3.416 -1.926 1.00 0.00 C ATOM 116 O TRP A 10 -4.980 -4.268 -2.507 1.00 0.00 O ATOM 117 CB TRP A 10 -5.778 -1.375 -1.857 1.00 0.00 C ATOM 118 CG TRP A 10 -5.039 -0.111 -2.143 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.921 0.946 -1.300 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.343 0.245 -3.340 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.148 1.917 -1.868 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.796 1.522 -3.128 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.117 -0.388 -4.564 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.040 2.178 -4.082 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.366 0.270 -5.521 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.832 1.542 -5.275 1.00 0.00 C ATOM 127 H TRP A 10 -3.820 -0.699 -0.432 1.00 0.00 H ATOM 128 HA TRP A 10 -5.611 -2.867 -0.343 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.045 -1.828 -2.796 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.671 -1.113 -1.308 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.353 0.972 -0.310 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.897 2.766 -1.448 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.517 -1.372 -4.766 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.614 3.160 -3.892 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.181 -0.201 -6.476 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.253 2.019 -6.052 1.00 0.00 H ATOM 137 N ARG A 11 -2.990 -3.361 -2.012 1.00 0.00 N ATOM 138 CA ARG A 11 -2.225 -4.318 -2.800 1.00 0.00 C ATOM 139 C ARG A 11 -1.506 -5.288 -1.869 1.00 0.00 C ATOM 140 O ARG A 11 -0.388 -5.719 -2.139 1.00 0.00 O ATOM 141 CB ARG A 11 -1.207 -3.614 -3.705 1.00 0.00 C ATOM 142 CG ARG A 11 -1.822 -2.780 -4.819 1.00 0.00 C ATOM 143 CD ARG A 11 -2.640 -3.622 -5.793 1.00 0.00 C ATOM 144 NE ARG A 11 -3.896 -4.094 -5.204 1.00 0.00 N ATOM 145 CZ ARG A 11 -4.792 -4.844 -5.842 1.00 0.00 C ATOM 146 NH1 ARG A 11 -4.596 -5.192 -7.111 1.00 0.00 N ATOM 147 NH2 ARG A 11 -5.885 -5.245 -5.204 1.00 0.00 N ATOM 148 H ARG A 11 -2.516 -2.665 -1.508 1.00 0.00 H ATOM 149 HA ARG A 11 -2.919 -4.871 -3.413 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.597 -2.963 -3.096 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.572 -4.363 -4.155 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.469 -2.035 -4.378 1.00 0.00 H ATOM 153 HG3 ARG A 11 -1.029 -2.288 -5.363 1.00 0.00 H ATOM 154 HD2 ARG A 11 -2.865 -3.025 -6.663 1.00 0.00 H ATOM 155 HD3 ARG A 11 -2.050 -4.477 -6.089 1.00 0.00 H ATOM 156 HE ARG A 11 -4.074 -3.841 -4.268 1.00 0.00 H ATOM 157 HH11 ARG A 11 -3.771 -4.889 -7.592 1.00 0.00 H ATOM 158 HH12 ARG A 11 -5.269 -5.757 -7.590 1.00 0.00 H ATOM 159 HH21 ARG A 11 -6.033 -4.982 -4.242 1.00 0.00 H ATOM 160 HH22 ARG A 11 -6.568 -5.809 -5.671 1.00 0.00 H ATOM 161 N CYS A 12 -2.157 -5.614 -0.763 1.00 0.00 N ATOM 162 CA CYS A 12 -1.592 -6.517 0.222 1.00 0.00 C ATOM 163 C CYS A 12 -2.705 -7.271 0.937 1.00 0.00 C ATOM 164 O CYS A 12 -3.810 -6.754 1.100 1.00 0.00 O ATOM 165 CB CYS A 12 -0.751 -5.724 1.228 1.00 0.00 C ATOM 166 SG CYS A 12 0.096 -6.738 2.484 1.00 0.00 S ATOM 167 H CYS A 12 -3.045 -5.228 -0.598 1.00 0.00 H ATOM 168 HA CYS A 12 -0.959 -7.224 -0.293 1.00 0.00 H ATOM 169 HB2 CYS A 12 0.006 -5.171 0.693 1.00 0.00 H ATOM 170 HB3 CYS A 12 -1.394 -5.027 1.747 1.00 0.00 H HETATM 171 N NH2 A 13 -2.426 -8.499 1.352 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -3.121 -8.993 1.833 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -1.536 -8.860 1.160 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 16 ATOM 1 N GLY A 1 6.853 -0.259 2.282 1.00 0.00 N ATOM 2 CA GLY A 1 6.117 -1.433 1.743 1.00 0.00 C ATOM 3 C GLY A 1 4.677 -1.083 1.452 1.00 0.00 C ATOM 4 O GLY A 1 4.088 -0.302 2.186 1.00 0.00 O ATOM 5 H1 GLY A 1 7.398 -0.532 3.123 1.00 0.00 H ATOM 6 H2 GLY A 1 6.176 0.487 2.548 1.00 0.00 H ATOM 7 H3 GLY A 1 7.502 0.119 1.564 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.591 -1.760 0.829 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.149 -2.235 2.466 1.00 0.00 H ATOM 10 N CYS A 2 4.122 -1.639 0.379 1.00 0.00 N ATOM 11 CA CYS A 2 2.749 -1.357 -0.014 1.00 0.00 C ATOM 12 C CYS A 2 1.739 -1.700 1.076 1.00 0.00 C ATOM 13 O CYS A 2 0.860 -0.907 1.377 1.00 0.00 O ATOM 14 CB CYS A 2 2.414 -2.120 -1.293 1.00 0.00 C ATOM 15 SG CYS A 2 2.752 -1.195 -2.826 1.00 0.00 S ATOM 16 H CYS A 2 4.647 -2.244 -0.179 1.00 0.00 H ATOM 17 HA CYS A 2 2.682 -0.307 -0.216 1.00 0.00 H ATOM 18 HB2 CYS A 2 2.999 -3.028 -1.324 1.00 0.00 H ATOM 19 HB3 CYS A 2 1.373 -2.376 -1.283 1.00 0.00 H HETATM 20 N ABA A 3 1.866 -2.883 1.650 1.00 0.00 N HETATM 21 CA ABA A 3 0.943 -3.328 2.692 1.00 0.00 C HETATM 22 C ABA A 3 0.930 -2.364 3.877 1.00 0.00 C HETATM 23 O ABA A 3 -0.124 -2.041 4.414 1.00 0.00 O HETATM 24 CB ABA A 3 1.311 -4.737 3.161 1.00 0.00 C HETATM 25 CG ABA A 3 0.257 -5.376 4.042 1.00 0.00 C HETATM 26 H ABA A 3 2.583 -3.471 1.361 1.00 0.00 H HETATM 27 HA ABA A 3 -0.048 -3.354 2.261 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.232 -4.692 3.723 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.450 -5.371 2.300 1.00 0.00 H HETATM 30 HG1 ABA A 3 0.715 -6.141 4.653 1.00 0.00 H HETATM 31 HG2 ABA A 3 -0.185 -4.625 4.679 1.00 0.00 H ATOM 32 N SER A 4 2.108 -1.904 4.266 1.00 0.00 N ATOM 33 CA SER A 4 2.236 -0.971 5.380 1.00 0.00 C ATOM 34 C SER A 4 2.184 0.480 4.889 1.00 0.00 C ATOM 35 O SER A 4 2.917 1.338 5.384 1.00 0.00 O ATOM 36 CB SER A 4 3.548 -1.242 6.129 1.00 0.00 C ATOM 37 OG SER A 4 3.655 -0.456 7.302 1.00 0.00 O ATOM 38 H SER A 4 2.910 -2.189 3.791 1.00 0.00 H ATOM 39 HA SER A 4 1.408 -1.141 6.052 1.00 0.00 H ATOM 40 HB2 SER A 4 3.589 -2.285 6.409 1.00 0.00 H ATOM 41 HB3 SER A 4 4.381 -1.013 5.481 1.00 0.00 H ATOM 42 HG SER A 4 3.411 0.456 7.097 1.00 0.00 H ATOM 43 N ASP A 5 1.327 0.747 3.913 1.00 0.00 N ATOM 44 CA ASP A 5 1.192 2.091 3.355 1.00 0.00 C ATOM 45 C ASP A 5 -0.215 2.293 2.819 1.00 0.00 C ATOM 46 O ASP A 5 -0.631 1.585 1.918 1.00 0.00 O ATOM 47 CB ASP A 5 2.200 2.282 2.219 1.00 0.00 C ATOM 48 CG ASP A 5 2.347 3.724 1.761 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.428 4.539 1.983 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.386 4.041 1.145 1.00 0.00 O ATOM 51 H ASP A 5 0.771 0.025 3.550 1.00 0.00 H ATOM 52 HA ASP A 5 1.388 2.810 4.136 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.166 1.927 2.541 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.871 1.690 1.371 1.00 0.00 H ATOM 55 N PRO A 6 -0.969 3.266 3.346 1.00 0.00 N ATOM 56 CA PRO A 6 -2.338 3.544 2.886 1.00 0.00 C ATOM 57 C PRO A 6 -2.396 3.862 1.388 1.00 0.00 C ATOM 58 O PRO A 6 -3.448 3.759 0.755 1.00 0.00 O ATOM 59 CB PRO A 6 -2.754 4.769 3.708 1.00 0.00 C ATOM 60 CG PRO A 6 -1.854 4.762 4.895 1.00 0.00 C ATOM 61 CD PRO A 6 -0.553 4.178 4.423 1.00 0.00 C ATOM 62 HA PRO A 6 -3.001 2.719 3.102 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.620 5.664 3.116 1.00 0.00 H ATOM 64 HB3 PRO A 6 -3.789 4.677 3.998 1.00 0.00 H ATOM 65 HG2 PRO A 6 -1.706 5.771 5.250 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.278 4.147 5.675 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.096 4.954 4.043 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.068 3.636 5.222 1.00 0.00 H ATOM 69 N ARG A 7 -1.255 4.250 0.836 1.00 0.00 N ATOM 70 CA ARG A 7 -1.120 4.595 -0.549 1.00 0.00 C ATOM 71 C ARG A 7 -1.049 3.369 -1.441 1.00 0.00 C ATOM 72 O ARG A 7 -1.069 3.499 -2.657 1.00 0.00 O ATOM 73 CB ARG A 7 0.145 5.402 -0.709 1.00 0.00 C ATOM 74 CG ARG A 7 0.030 6.838 -0.231 1.00 0.00 C ATOM 75 CD ARG A 7 1.371 7.549 -0.286 1.00 0.00 C ATOM 76 NE ARG A 7 2.420 6.784 0.384 1.00 0.00 N ATOM 77 CZ ARG A 7 3.675 7.194 0.529 1.00 0.00 C ATOM 78 NH1 ARG A 7 4.039 8.408 0.123 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.566 6.385 1.082 1.00 0.00 N ATOM 80 H ARG A 7 -0.455 4.305 1.384 1.00 0.00 H ATOM 81 HA ARG A 7 -1.964 5.200 -0.836 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.931 4.922 -0.144 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.413 5.396 -1.734 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.672 7.363 -0.862 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.327 6.840 0.788 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.647 7.691 -1.321 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.275 8.510 0.196 1.00 0.00 H ATOM 88 HE ARG A 7 2.174 5.883 0.731 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.365 9.019 -0.292 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.985 8.714 0.233 1.00 0.00 H ATOM 91 HH21 ARG A 7 4.278 5.457 1.382 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.512 6.675 1.206 1.00 0.00 H ATOM 93 N CYS A 8 -0.912 2.194 -0.842 1.00 0.00 N ATOM 94 CA CYS A 8 -0.798 0.963 -1.625 1.00 0.00 C ATOM 95 C CYS A 8 -1.147 -0.288 -0.806 1.00 0.00 C ATOM 96 O CYS A 8 -0.831 -1.416 -1.192 1.00 0.00 O ATOM 97 CB CYS A 8 0.630 0.868 -2.164 1.00 0.00 C ATOM 98 SG CYS A 8 0.928 -0.477 -3.357 1.00 0.00 S ATOM 99 H CYS A 8 -0.849 2.161 0.132 1.00 0.00 H ATOM 100 HA CYS A 8 -1.487 1.039 -2.447 1.00 0.00 H ATOM 101 HB2 CYS A 8 0.880 1.796 -2.651 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.300 0.719 -1.330 1.00 0.00 H ATOM 103 N ALA A 9 -1.786 -0.073 0.329 1.00 0.00 N ATOM 104 CA ALA A 9 -2.173 -1.157 1.248 1.00 0.00 C ATOM 105 C ALA A 9 -3.116 -2.164 0.607 1.00 0.00 C ATOM 106 O ALA A 9 -3.150 -3.332 0.986 1.00 0.00 O ATOM 107 CB ALA A 9 -2.805 -0.583 2.507 1.00 0.00 C ATOM 108 H ALA A 9 -1.980 0.851 0.579 1.00 0.00 H ATOM 109 HA ALA A 9 -1.278 -1.672 1.533 1.00 0.00 H ATOM 110 HB1 ALA A 9 -2.439 -1.120 3.370 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.878 -0.683 2.449 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.544 0.461 2.596 1.00 0.00 H ATOM 113 N TRP A 10 -3.876 -1.688 -0.354 1.00 0.00 N ATOM 114 CA TRP A 10 -4.848 -2.505 -1.075 1.00 0.00 C ATOM 115 C TRP A 10 -4.178 -3.668 -1.797 1.00 0.00 C ATOM 116 O TRP A 10 -4.796 -4.703 -2.041 1.00 0.00 O ATOM 117 CB TRP A 10 -5.657 -1.627 -2.038 1.00 0.00 C ATOM 118 CG TRP A 10 -5.010 -0.308 -2.291 1.00 0.00 C ATOM 119 CD1 TRP A 10 -5.125 0.794 -1.504 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.170 0.063 -3.388 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.368 1.814 -2.010 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.787 1.396 -3.173 1.00 0.00 C ATOM 123 CE3 TRP A 10 -3.696 -0.600 -4.523 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -2.952 2.080 -4.041 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -2.867 0.085 -5.393 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.500 1.413 -5.145 1.00 0.00 C ATOM 127 H TRP A 10 -3.784 -0.746 -0.585 1.00 0.00 H ATOM 128 HA TRP A 10 -5.513 -2.913 -0.342 1.00 0.00 H ATOM 129 HB2 TRP A 10 -5.772 -2.136 -2.982 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.630 -1.436 -1.609 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.707 0.823 -0.596 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.269 2.703 -1.613 1.00 0.00 H ATOM 133 HE3 TRP A 10 -3.970 -1.625 -4.728 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.649 3.105 -3.844 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -2.490 -0.410 -6.277 1.00 0.00 H ATOM 136 HH2 TRP A 10 -1.851 1.911 -5.852 1.00 0.00 H ATOM 137 N ARG A 11 -2.904 -3.508 -2.095 1.00 0.00 N ATOM 138 CA ARG A 11 -2.136 -4.563 -2.745 1.00 0.00 C ATOM 139 C ARG A 11 -1.440 -5.424 -1.695 1.00 0.00 C ATOM 140 O ARG A 11 -0.224 -5.617 -1.735 1.00 0.00 O ATOM 141 CB ARG A 11 -1.112 -3.991 -3.729 1.00 0.00 C ATOM 142 CG ARG A 11 -1.740 -3.400 -4.981 1.00 0.00 C ATOM 143 CD ARG A 11 -0.715 -3.219 -6.092 1.00 0.00 C ATOM 144 NE ARG A 11 0.393 -2.353 -5.693 1.00 0.00 N ATOM 145 CZ ARG A 11 1.427 -2.050 -6.479 1.00 0.00 C ATOM 146 NH1 ARG A 11 1.497 -2.544 -7.712 1.00 0.00 N ATOM 147 NH2 ARG A 11 2.392 -1.255 -6.029 1.00 0.00 N ATOM 148 H ARG A 11 -2.462 -2.676 -1.836 1.00 0.00 H ATOM 149 HA ARG A 11 -2.834 -5.185 -3.286 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.547 -3.216 -3.235 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.439 -4.781 -4.029 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.519 -4.061 -5.328 1.00 0.00 H ATOM 153 HG3 ARG A 11 -2.165 -2.437 -4.737 1.00 0.00 H ATOM 154 HD2 ARG A 11 -0.322 -4.188 -6.360 1.00 0.00 H ATOM 155 HD3 ARG A 11 -1.208 -2.784 -6.948 1.00 0.00 H ATOM 156 HE ARG A 11 0.364 -1.975 -4.782 1.00 0.00 H ATOM 157 HH11 ARG A 11 0.771 -3.144 -8.053 1.00 0.00 H ATOM 158 HH12 ARG A 11 2.272 -2.317 -8.303 1.00 0.00 H ATOM 159 HH21 ARG A 11 2.343 -0.882 -5.095 1.00 0.00 H ATOM 160 HH22 ARG A 11 3.171 -1.022 -6.613 1.00 0.00 H ATOM 161 N CYS A 12 -2.220 -5.927 -0.751 1.00 0.00 N ATOM 162 CA CYS A 12 -1.696 -6.761 0.321 1.00 0.00 C ATOM 163 C CYS A 12 -2.759 -7.752 0.781 1.00 0.00 C ATOM 164 O CYS A 12 -3.588 -7.439 1.632 1.00 0.00 O ATOM 165 CB CYS A 12 -1.235 -5.893 1.495 1.00 0.00 C ATOM 166 SG CYS A 12 -0.467 -6.824 2.865 1.00 0.00 S ATOM 167 H CYS A 12 -3.181 -5.727 -0.771 1.00 0.00 H ATOM 168 HA CYS A 12 -0.850 -7.309 -0.068 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.509 -5.177 1.141 1.00 0.00 H ATOM 170 HB3 CYS A 12 -2.086 -5.363 1.896 1.00 0.00 H HETATM 171 N NH2 A 13 -2.740 -8.946 0.209 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -3.277 -9.660 0.611 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -2.192 -9.067 -0.594 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 17 ATOM 1 N GLY A 1 6.216 -0.112 4.169 1.00 0.00 N ATOM 2 CA GLY A 1 6.285 -0.644 2.783 1.00 0.00 C ATOM 3 C GLY A 1 4.958 -0.486 2.079 1.00 0.00 C ATOM 4 O GLY A 1 4.134 0.290 2.534 1.00 0.00 O ATOM 5 H1 GLY A 1 5.713 0.802 4.170 1.00 0.00 H ATOM 6 H2 GLY A 1 7.169 0.027 4.552 1.00 0.00 H ATOM 7 H3 GLY A 1 5.695 -0.776 4.782 1.00 0.00 H ATOM 8 HA2 GLY A 1 7.041 -0.106 2.232 1.00 0.00 H ATOM 9 HA3 GLY A 1 6.547 -1.691 2.817 1.00 0.00 H ATOM 10 N CYS A 2 4.744 -1.219 0.991 1.00 0.00 N ATOM 11 CA CYS A 2 3.484 -1.130 0.252 1.00 0.00 C ATOM 12 C CYS A 2 2.306 -1.550 1.125 1.00 0.00 C ATOM 13 O CYS A 2 1.304 -0.850 1.208 1.00 0.00 O ATOM 14 CB CYS A 2 3.538 -1.984 -1.022 1.00 0.00 C ATOM 15 SG CYS A 2 1.907 -2.373 -1.743 1.00 0.00 S ATOM 16 H CYS A 2 5.441 -1.830 0.676 1.00 0.00 H ATOM 17 HA CYS A 2 3.346 -0.103 -0.026 1.00 0.00 H ATOM 18 HB2 CYS A 2 4.110 -1.459 -1.773 1.00 0.00 H ATOM 19 HB3 CYS A 2 4.029 -2.920 -0.797 1.00 0.00 H HETATM 20 N ABA A 3 2.441 -2.690 1.777 1.00 0.00 N HETATM 21 CA ABA A 3 1.387 -3.203 2.646 1.00 0.00 C HETATM 22 C ABA A 3 1.164 -2.269 3.835 1.00 0.00 C HETATM 23 O ABA A 3 0.033 -2.038 4.250 1.00 0.00 O HETATM 24 CB ABA A 3 1.738 -4.613 3.133 1.00 0.00 C HETATM 25 CG ABA A 3 0.616 -5.302 3.883 1.00 0.00 C HETATM 26 H ABA A 3 3.266 -3.198 1.670 1.00 0.00 H HETATM 27 HA ABA A 3 0.477 -3.250 2.068 1.00 0.00 H HETATM 28 HB3 ABA A 3 2.592 -4.554 3.793 1.00 0.00 H HETATM 29 HB2 ABA A 3 1.991 -5.228 2.282 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.324 -5.097 3.392 1.00 0.00 H HETATM 31 HG2 ABA A 3 0.580 -4.932 4.897 1.00 0.00 H ATOM 32 N SER A 4 2.254 -1.738 4.374 1.00 0.00 N ATOM 33 CA SER A 4 2.195 -0.831 5.509 1.00 0.00 C ATOM 34 C SER A 4 2.074 0.630 5.063 1.00 0.00 C ATOM 35 O SER A 4 2.706 1.515 5.640 1.00 0.00 O ATOM 36 CB SER A 4 3.449 -1.027 6.356 1.00 0.00 C ATOM 37 OG SER A 4 4.450 -1.743 5.633 1.00 0.00 O ATOM 38 H SER A 4 3.125 -1.956 4.001 1.00 0.00 H ATOM 39 HA SER A 4 1.328 -1.090 6.099 1.00 0.00 H ATOM 40 HB2 SER A 4 3.846 -0.065 6.632 1.00 0.00 H ATOM 41 HB3 SER A 4 3.198 -1.584 7.245 1.00 0.00 H ATOM 42 HG SER A 4 4.614 -2.585 6.077 1.00 0.00 H ATOM 43 N ASP A 5 1.271 0.871 4.035 1.00 0.00 N ATOM 44 CA ASP A 5 1.065 2.219 3.504 1.00 0.00 C ATOM 45 C ASP A 5 -0.309 2.303 2.857 1.00 0.00 C ATOM 46 O ASP A 5 -0.593 1.547 1.944 1.00 0.00 O ATOM 47 CB ASP A 5 2.151 2.536 2.461 1.00 0.00 C ATOM 48 CG ASP A 5 2.092 3.951 1.901 1.00 0.00 C ATOM 49 OD1 ASP A 5 1.140 4.693 2.211 1.00 0.00 O ATOM 50 OD2 ASP A 5 3.002 4.319 1.117 1.00 0.00 O ATOM 51 H ASP A 5 0.798 0.122 3.613 1.00 0.00 H ATOM 52 HA ASP A 5 1.126 2.924 4.318 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.121 2.394 2.912 1.00 0.00 H ATOM 54 HB3 ASP A 5 2.042 1.843 1.636 1.00 0.00 H ATOM 55 N PRO A 6 -1.182 3.224 3.300 1.00 0.00 N ATOM 56 CA PRO A 6 -2.528 3.386 2.720 1.00 0.00 C ATOM 57 C PRO A 6 -2.477 3.634 1.207 1.00 0.00 C ATOM 58 O PRO A 6 -3.457 3.436 0.489 1.00 0.00 O ATOM 59 CB PRO A 6 -3.088 4.614 3.444 1.00 0.00 C ATOM 60 CG PRO A 6 -2.304 4.703 4.711 1.00 0.00 C ATOM 61 CD PRO A 6 -0.931 4.186 4.384 1.00 0.00 C ATOM 62 HA PRO A 6 -3.152 2.527 2.922 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.945 5.491 2.830 1.00 0.00 H ATOM 64 HB3 PRO A 6 -4.139 4.472 3.642 1.00 0.00 H ATOM 65 HG2 PRO A 6 -2.251 5.731 5.038 1.00 0.00 H ATOM 66 HG3 PRO A 6 -2.764 4.089 5.470 1.00 0.00 H ATOM 67 HD2 PRO A 6 -0.293 4.992 4.047 1.00 0.00 H ATOM 68 HD3 PRO A 6 -0.497 3.695 5.243 1.00 0.00 H ATOM 69 N ARG A 7 -1.314 4.064 0.752 1.00 0.00 N ATOM 70 CA ARG A 7 -1.042 4.359 -0.640 1.00 0.00 C ATOM 71 C ARG A 7 -0.872 3.085 -1.455 1.00 0.00 C ATOM 72 O ARG A 7 -0.828 3.127 -2.680 1.00 0.00 O ATOM 73 CB ARG A 7 0.241 5.160 -0.686 1.00 0.00 C ATOM 74 CG ARG A 7 0.569 5.806 -2.019 1.00 0.00 C ATOM 75 CD ARG A 7 1.757 6.750 -1.885 1.00 0.00 C ATOM 76 NE ARG A 7 2.728 6.274 -0.895 1.00 0.00 N ATOM 77 CZ ARG A 7 3.875 6.876 -0.606 1.00 0.00 C ATOM 78 NH1 ARG A 7 4.257 7.962 -1.273 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.635 6.380 0.359 1.00 0.00 N ATOM 80 H ARG A 7 -0.585 4.188 1.391 1.00 0.00 H ATOM 81 HA ARG A 7 -1.851 4.947 -1.041 1.00 0.00 H ATOM 82 HB2 ARG A 7 0.180 5.922 0.061 1.00 0.00 H ATOM 83 HB3 ARG A 7 1.053 4.495 -0.430 1.00 0.00 H ATOM 84 HG2 ARG A 7 0.811 5.035 -2.736 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.289 6.365 -2.362 1.00 0.00 H ATOM 86 HD2 ARG A 7 2.247 6.831 -2.845 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.396 7.722 -1.583 1.00 0.00 H ATOM 88 HE ARG A 7 2.493 5.457 -0.386 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.677 8.332 -2.000 1.00 0.00 H ATOM 90 HH12 ARG A 7 5.121 8.413 -1.048 1.00 0.00 H ATOM 91 HH21 ARG A 7 4.329 5.552 0.859 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.502 6.812 0.599 1.00 0.00 H ATOM 93 N CYS A 8 -0.724 1.961 -0.774 1.00 0.00 N ATOM 94 CA CYS A 8 -0.513 0.694 -1.475 1.00 0.00 C ATOM 95 C CYS A 8 -1.042 -0.521 -0.700 1.00 0.00 C ATOM 96 O CYS A 8 -0.937 -1.659 -1.154 1.00 0.00 O ATOM 97 CB CYS A 8 0.992 0.545 -1.763 1.00 0.00 C ATOM 98 SG CYS A 8 1.459 -0.782 -2.929 1.00 0.00 S ATOM 99 H CYS A 8 -0.716 1.998 0.209 1.00 0.00 H ATOM 100 HA CYS A 8 -1.048 0.760 -2.397 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.359 1.472 -2.173 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.503 0.352 -0.830 1.00 0.00 H ATOM 103 N ALA A 9 -1.597 -0.269 0.465 1.00 0.00 N ATOM 104 CA ALA A 9 -2.129 -1.321 1.345 1.00 0.00 C ATOM 105 C ALA A 9 -3.160 -2.204 0.658 1.00 0.00 C ATOM 106 O ALA A 9 -3.267 -3.395 0.943 1.00 0.00 O ATOM 107 CB ALA A 9 -2.725 -0.705 2.601 1.00 0.00 C ATOM 108 H ALA A 9 -1.630 0.663 0.762 1.00 0.00 H ATOM 109 HA ALA A 9 -1.304 -1.937 1.640 1.00 0.00 H ATOM 110 HB1 ALA A 9 -3.781 -0.928 2.645 1.00 0.00 H ATOM 111 HB2 ALA A 9 -2.584 0.365 2.580 1.00 0.00 H ATOM 112 HB3 ALA A 9 -2.234 -1.116 3.472 1.00 0.00 H ATOM 113 N TRP A 10 -3.909 -1.603 -0.233 1.00 0.00 N ATOM 114 CA TRP A 10 -4.959 -2.287 -0.986 1.00 0.00 C ATOM 115 C TRP A 10 -4.394 -3.388 -1.877 1.00 0.00 C ATOM 116 O TRP A 10 -5.085 -4.345 -2.213 1.00 0.00 O ATOM 117 CB TRP A 10 -5.770 -1.264 -1.794 1.00 0.00 C ATOM 118 CG TRP A 10 -4.994 -0.032 -2.107 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.747 0.979 -1.240 1.00 0.00 C ATOM 120 CD2 TRP A 10 -4.393 0.345 -3.352 1.00 0.00 C ATOM 121 NE1 TRP A 10 -3.974 1.934 -1.836 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.760 1.581 -3.136 1.00 0.00 C ATOM 123 CE3 TRP A 10 -4.311 -0.239 -4.617 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -3.056 2.244 -4.124 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -3.615 0.427 -5.611 1.00 0.00 C ATOM 126 CH2 TRP A 10 -2.991 1.657 -5.358 1.00 0.00 C ATOM 127 H TRP A 10 -3.756 -0.656 -0.392 1.00 0.00 H ATOM 128 HA TRP A 10 -5.604 -2.745 -0.268 1.00 0.00 H ATOM 129 HB2 TRP A 10 -6.094 -1.708 -2.721 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.631 -0.964 -1.213 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.085 0.984 -0.217 1.00 0.00 H ATOM 132 HE1 TRP A 10 -3.639 2.748 -1.404 1.00 0.00 H ATOM 133 HE3 TRP A 10 -4.785 -1.187 -4.829 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.564 3.192 -3.930 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -3.542 -0.005 -6.598 1.00 0.00 H ATOM 136 HH2 TRP A 10 -2.458 2.143 -6.162 1.00 0.00 H ATOM 137 N ARG A 11 -3.127 -3.258 -2.223 1.00 0.00 N ATOM 138 CA ARG A 11 -2.448 -4.257 -3.045 1.00 0.00 C ATOM 139 C ARG A 11 -1.996 -5.423 -2.177 1.00 0.00 C ATOM 140 O ARG A 11 -1.710 -6.511 -2.669 1.00 0.00 O ATOM 141 CB ARG A 11 -1.242 -3.651 -3.762 1.00 0.00 C ATOM 142 CG ARG A 11 -1.599 -2.564 -4.759 1.00 0.00 C ATOM 143 CD ARG A 11 -0.352 -1.974 -5.394 1.00 0.00 C ATOM 144 NE ARG A 11 -0.658 -0.858 -6.288 1.00 0.00 N ATOM 145 CZ ARG A 11 0.269 -0.081 -6.848 1.00 0.00 C ATOM 146 NH1 ARG A 11 1.555 -0.280 -6.576 1.00 0.00 N ATOM 147 NH2 ARG A 11 -0.090 0.903 -7.668 1.00 0.00 N ATOM 148 H ARG A 11 -2.628 -2.484 -1.894 1.00 0.00 H ATOM 149 HA ARG A 11 -3.153 -4.620 -3.778 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.578 -3.225 -3.024 1.00 0.00 H ATOM 151 HB3 ARG A 11 -0.720 -4.436 -4.289 1.00 0.00 H ATOM 152 HG2 ARG A 11 -2.221 -2.987 -5.533 1.00 0.00 H ATOM 153 HG3 ARG A 11 -2.138 -1.780 -4.247 1.00 0.00 H ATOM 154 HD2 ARG A 11 0.303 -1.625 -4.610 1.00 0.00 H ATOM 155 HD3 ARG A 11 0.147 -2.749 -5.958 1.00 0.00 H ATOM 156 HE ARG A 11 -1.605 -0.687 -6.483 1.00 0.00 H ATOM 157 HH11 ARG A 11 1.829 -1.012 -5.947 1.00 0.00 H ATOM 158 HH12 ARG A 11 2.258 0.300 -6.993 1.00 0.00 H ATOM 159 HH21 ARG A 11 -1.060 1.063 -7.867 1.00 0.00 H ATOM 160 HH22 ARG A 11 0.604 1.489 -8.087 1.00 0.00 H ATOM 161 N CYS A 12 -1.929 -5.171 -0.880 1.00 0.00 N ATOM 162 CA CYS A 12 -1.509 -6.170 0.091 1.00 0.00 C ATOM 163 C CYS A 12 -2.713 -6.973 0.581 1.00 0.00 C ATOM 164 O CYS A 12 -2.564 -8.003 1.238 1.00 0.00 O ATOM 165 CB CYS A 12 -0.812 -5.472 1.264 1.00 0.00 C ATOM 166 SG CYS A 12 -0.099 -6.584 2.521 1.00 0.00 S ATOM 167 H CYS A 12 -2.172 -4.276 -0.560 1.00 0.00 H ATOM 168 HA CYS A 12 -0.811 -6.838 -0.391 1.00 0.00 H ATOM 169 HB2 CYS A 12 -0.008 -4.864 0.879 1.00 0.00 H ATOM 170 HB3 CYS A 12 -1.527 -4.832 1.761 1.00 0.00 H HETATM 171 N NH2 A 13 -3.910 -6.502 0.255 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -3.996 -5.998 -0.581 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -4.657 -6.678 0.862 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 18 ATOM 1 N GLY A 1 6.121 -3.025 3.058 1.00 0.00 N ATOM 2 CA GLY A 1 5.634 -3.224 1.666 1.00 0.00 C ATOM 3 C GLY A 1 4.427 -2.362 1.374 1.00 0.00 C ATOM 4 O GLY A 1 4.222 -1.360 2.047 1.00 0.00 O ATOM 5 H1 GLY A 1 6.748 -2.197 3.099 1.00 0.00 H ATOM 6 H2 GLY A 1 6.644 -3.861 3.380 1.00 0.00 H ATOM 7 H3 GLY A 1 5.312 -2.863 3.701 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.423 -2.968 0.975 1.00 0.00 H ATOM 9 HA3 GLY A 1 5.369 -4.262 1.530 1.00 0.00 H ATOM 10 N CYS A 2 3.626 -2.754 0.387 1.00 0.00 N ATOM 11 CA CYS A 2 2.436 -1.999 0.022 1.00 0.00 C ATOM 12 C CYS A 2 1.392 -2.029 1.129 1.00 0.00 C ATOM 13 O CYS A 2 0.710 -1.042 1.370 1.00 0.00 O ATOM 14 CB CYS A 2 1.854 -2.536 -1.278 1.00 0.00 C ATOM 15 SG CYS A 2 2.394 -1.633 -2.763 1.00 0.00 S ATOM 16 H CYS A 2 3.836 -3.565 -0.115 1.00 0.00 H ATOM 17 HA CYS A 2 2.736 -0.979 -0.129 1.00 0.00 H ATOM 18 HB2 CYS A 2 2.153 -3.568 -1.397 1.00 0.00 H ATOM 19 HB3 CYS A 2 0.783 -2.485 -1.228 1.00 0.00 H HETATM 20 N ABA A 3 1.282 -3.161 1.811 1.00 0.00 N HETATM 21 CA ABA A 3 0.325 -3.293 2.906 1.00 0.00 C HETATM 22 C ABA A 3 0.668 -2.294 4.006 1.00 0.00 C HETATM 23 O ABA A 3 -0.209 -1.724 4.646 1.00 0.00 O HETATM 24 CB ABA A 3 0.319 -4.717 3.463 1.00 0.00 C HETATM 25 CG ABA A 3 -0.738 -4.948 4.523 1.00 0.00 C HETATM 26 H ABA A 3 1.859 -3.910 1.580 1.00 0.00 H HETATM 27 HA ABA A 3 -0.658 -3.058 2.518 1.00 0.00 H HETATM 28 HB3 ABA A 3 1.281 -4.932 3.902 1.00 0.00 H HETATM 29 HB2 ABA A 3 0.134 -5.411 2.657 1.00 0.00 H HETATM 30 HG1 ABA A 3 -0.437 -5.767 5.160 1.00 0.00 H HETATM 31 HG2 ABA A 3 -0.852 -4.054 5.117 1.00 0.00 H ATOM 32 N SER A 4 1.965 -2.078 4.193 1.00 0.00 N ATOM 33 CA SER A 4 2.469 -1.141 5.174 1.00 0.00 C ATOM 34 C SER A 4 2.519 0.267 4.574 1.00 0.00 C ATOM 35 O SER A 4 3.459 1.023 4.811 1.00 0.00 O ATOM 36 CB SER A 4 3.864 -1.590 5.592 1.00 0.00 C ATOM 37 OG SER A 4 4.158 -2.888 5.077 1.00 0.00 O ATOM 38 H SER A 4 2.609 -2.549 3.641 1.00 0.00 H ATOM 39 HA SER A 4 1.812 -1.149 6.030 1.00 0.00 H ATOM 40 HB2 SER A 4 4.598 -0.890 5.217 1.00 0.00 H ATOM 41 HB3 SER A 4 3.915 -1.626 6.662 1.00 0.00 H ATOM 42 HG SER A 4 3.880 -3.550 5.724 1.00 0.00 H ATOM 43 N ASP A 5 1.506 0.585 3.781 1.00 0.00 N ATOM 44 CA ASP A 5 1.407 1.872 3.111 1.00 0.00 C ATOM 45 C ASP A 5 -0.062 2.220 2.920 1.00 0.00 C ATOM 46 O ASP A 5 -0.829 1.407 2.417 1.00 0.00 O ATOM 47 CB ASP A 5 2.097 1.797 1.746 1.00 0.00 C ATOM 48 CG ASP A 5 2.119 3.123 1.015 1.00 0.00 C ATOM 49 OD1 ASP A 5 2.829 4.049 1.452 1.00 0.00 O ATOM 50 OD2 ASP A 5 1.427 3.242 -0.013 1.00 0.00 O ATOM 51 H ASP A 5 0.798 -0.076 3.627 1.00 0.00 H ATOM 52 HA ASP A 5 1.884 2.624 3.722 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.115 1.467 1.880 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.568 1.080 1.129 1.00 0.00 H ATOM 55 N PRO A 6 -0.491 3.418 3.331 1.00 0.00 N ATOM 56 CA PRO A 6 -1.890 3.835 3.208 1.00 0.00 C ATOM 57 C PRO A 6 -2.312 4.078 1.758 1.00 0.00 C ATOM 58 O PRO A 6 -3.500 4.083 1.439 1.00 0.00 O ATOM 59 CB PRO A 6 -1.955 5.147 4.005 1.00 0.00 C ATOM 60 CG PRO A 6 -0.668 5.229 4.761 1.00 0.00 C ATOM 61 CD PRO A 6 0.337 4.449 3.965 1.00 0.00 C ATOM 62 HA PRO A 6 -2.555 3.110 3.656 1.00 0.00 H ATOM 63 HB2 PRO A 6 -2.060 5.977 3.322 1.00 0.00 H ATOM 64 HB3 PRO A 6 -2.801 5.119 4.674 1.00 0.00 H ATOM 65 HG2 PRO A 6 -0.358 6.260 4.847 1.00 0.00 H ATOM 66 HG3 PRO A 6 -0.790 4.791 5.742 1.00 0.00 H ATOM 67 HD2 PRO A 6 0.808 5.079 3.227 1.00 0.00 H ATOM 68 HD3 PRO A 6 1.076 4.006 4.618 1.00 0.00 H ATOM 69 N ARG A 7 -1.332 4.296 0.894 1.00 0.00 N ATOM 70 CA ARG A 7 -1.574 4.563 -0.496 1.00 0.00 C ATOM 71 C ARG A 7 -1.779 3.269 -1.249 1.00 0.00 C ATOM 72 O ARG A 7 -2.724 3.151 -1.998 1.00 0.00 O ATOM 73 CB ARG A 7 -0.390 5.353 -1.056 1.00 0.00 C ATOM 74 CG ARG A 7 0.007 5.019 -2.486 1.00 0.00 C ATOM 75 CD ARG A 7 1.423 5.499 -2.765 1.00 0.00 C ATOM 76 NE ARG A 7 2.341 5.088 -1.700 1.00 0.00 N ATOM 77 CZ ARG A 7 3.604 5.489 -1.588 1.00 0.00 C ATOM 78 NH1 ARG A 7 4.157 6.248 -2.530 1.00 0.00 N ATOM 79 NH2 ARG A 7 4.312 5.124 -0.525 1.00 0.00 N ATOM 80 H ARG A 7 -0.415 4.277 1.197 1.00 0.00 H ATOM 81 HA ARG A 7 -2.468 5.162 -0.573 1.00 0.00 H ATOM 82 HB2 ARG A 7 -0.633 6.395 -1.016 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.465 5.178 -0.421 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.040 3.948 -2.626 1.00 0.00 H ATOM 85 HG3 ARG A 7 -0.675 5.508 -3.166 1.00 0.00 H ATOM 86 HD2 ARG A 7 1.756 5.078 -3.703 1.00 0.00 H ATOM 87 HD3 ARG A 7 1.420 6.576 -2.834 1.00 0.00 H ATOM 88 HE ARG A 7 1.975 4.482 -0.998 1.00 0.00 H ATOM 89 HH11 ARG A 7 3.623 6.521 -3.331 1.00 0.00 H ATOM 90 HH12 ARG A 7 5.107 6.550 -2.442 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.881 4.549 0.197 1.00 0.00 H ATOM 92 HH22 ARG A 7 5.263 5.409 -0.423 1.00 0.00 H ATOM 93 N CYS A 8 -0.851 2.335 -1.059 1.00 0.00 N ATOM 94 CA CYS A 8 -0.865 1.038 -1.751 1.00 0.00 C ATOM 95 C CYS A 8 -1.351 -0.118 -0.862 1.00 0.00 C ATOM 96 O CYS A 8 -1.029 -1.283 -1.102 1.00 0.00 O ATOM 97 CB CYS A 8 0.552 0.741 -2.244 1.00 0.00 C ATOM 98 SG CYS A 8 0.708 -0.680 -3.383 1.00 0.00 S ATOM 99 H CYS A 8 -0.095 2.546 -0.458 1.00 0.00 H ATOM 100 HA CYS A 8 -1.524 1.124 -2.600 1.00 0.00 H ATOM 101 HB2 CYS A 8 0.936 1.610 -2.756 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.167 0.539 -1.379 1.00 0.00 H ATOM 103 N ALA A 9 -2.112 0.215 0.160 1.00 0.00 N ATOM 104 CA ALA A 9 -2.644 -0.773 1.119 1.00 0.00 C ATOM 105 C ALA A 9 -3.340 -1.967 0.456 1.00 0.00 C ATOM 106 O ALA A 9 -3.328 -3.080 0.987 1.00 0.00 O ATOM 107 CB ALA A 9 -3.595 -0.093 2.092 1.00 0.00 C ATOM 108 H ALA A 9 -2.304 1.161 0.295 1.00 0.00 H ATOM 109 HA ALA A 9 -1.812 -1.145 1.682 1.00 0.00 H ATOM 110 HB1 ALA A 9 -3.349 -0.387 3.101 1.00 0.00 H ATOM 111 HB2 ALA A 9 -4.609 -0.387 1.868 1.00 0.00 H ATOM 112 HB3 ALA A 9 -3.502 0.979 1.997 1.00 0.00 H ATOM 113 N TRP A 10 -3.948 -1.718 -0.686 1.00 0.00 N ATOM 114 CA TRP A 10 -4.680 -2.742 -1.450 1.00 0.00 C ATOM 115 C TRP A 10 -3.784 -3.901 -1.869 1.00 0.00 C ATOM 116 O TRP A 10 -4.248 -5.026 -2.051 1.00 0.00 O ATOM 117 CB TRP A 10 -5.355 -2.101 -2.673 1.00 0.00 C ATOM 118 CG TRP A 10 -4.820 -0.743 -2.948 1.00 0.00 C ATOM 119 CD1 TRP A 10 -5.259 0.405 -2.376 1.00 0.00 C ATOM 120 CD2 TRP A 10 -3.757 -0.376 -3.836 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.501 1.454 -2.800 1.00 0.00 N ATOM 122 CE2 TRP A 10 -3.579 1.008 -3.702 1.00 0.00 C ATOM 123 CE3 TRP A 10 -2.927 -1.076 -4.715 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -2.605 1.713 -4.398 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -1.964 -0.375 -5.421 1.00 0.00 C ATOM 126 CH2 TRP A 10 -1.804 1.009 -5.252 1.00 0.00 C ATOM 127 H TRP A 10 -3.912 -0.808 -1.029 1.00 0.00 H ATOM 128 HA TRP A 10 -5.436 -3.128 -0.804 1.00 0.00 H ATOM 129 HB2 TRP A 10 -5.193 -2.717 -3.544 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.416 -2.007 -2.485 1.00 0.00 H ATOM 131 HD1 TRP A 10 -6.068 0.451 -1.665 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.599 2.387 -2.508 1.00 0.00 H ATOM 133 HE3 TRP A 10 -3.036 -2.140 -4.857 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -2.455 2.782 -4.242 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -1.314 -0.898 -6.105 1.00 0.00 H ATOM 136 HH2 TRP A 10 -1.042 1.516 -5.825 1.00 0.00 H ATOM 137 N ARG A 11 -2.502 -3.635 -2.001 1.00 0.00 N ATOM 138 CA ARG A 11 -1.548 -4.671 -2.377 1.00 0.00 C ATOM 139 C ARG A 11 -0.950 -5.332 -1.139 1.00 0.00 C ATOM 140 O ARG A 11 0.266 -5.506 -1.036 1.00 0.00 O ATOM 141 CB ARG A 11 -0.437 -4.105 -3.266 1.00 0.00 C ATOM 142 CG ARG A 11 -0.903 -3.719 -4.659 1.00 0.00 C ATOM 143 CD ARG A 11 -1.534 -4.898 -5.382 1.00 0.00 C ATOM 144 NE ARG A 11 -0.581 -5.992 -5.586 1.00 0.00 N ATOM 145 CZ ARG A 11 -0.910 -7.181 -6.096 1.00 0.00 C ATOM 146 NH1 ARG A 11 -2.171 -7.440 -6.423 1.00 0.00 N ATOM 147 NH2 ARG A 11 0.025 -8.112 -6.270 1.00 0.00 N ATOM 148 H ARG A 11 -2.189 -2.724 -1.820 1.00 0.00 H ATOM 149 HA ARG A 11 -2.088 -5.421 -2.936 1.00 0.00 H ATOM 150 HB2 ARG A 11 -0.026 -3.226 -2.792 1.00 0.00 H ATOM 151 HB3 ARG A 11 0.342 -4.846 -3.363 1.00 0.00 H ATOM 152 HG2 ARG A 11 -1.633 -2.928 -4.578 1.00 0.00 H ATOM 153 HG3 ARG A 11 -0.054 -3.371 -5.229 1.00 0.00 H ATOM 154 HD2 ARG A 11 -2.363 -5.262 -4.794 1.00 0.00 H ATOM 155 HD3 ARG A 11 -1.896 -4.564 -6.343 1.00 0.00 H ATOM 156 HE ARG A 11 0.355 -5.822 -5.337 1.00 0.00 H ATOM 157 HH11 ARG A 11 -2.880 -6.744 -6.287 1.00 0.00 H ATOM 158 HH12 ARG A 11 -2.422 -8.332 -6.804 1.00 0.00 H ATOM 159 HH21 ARG A 11 0.978 -7.923 -6.021 1.00 0.00 H ATOM 160 HH22 ARG A 11 -0.218 -9.005 -6.651 1.00 0.00 H ATOM 161 N CYS A 12 -1.810 -5.700 -0.204 1.00 0.00 N ATOM 162 CA CYS A 12 -1.369 -6.345 1.023 1.00 0.00 C ATOM 163 C CYS A 12 -1.329 -7.859 0.842 1.00 0.00 C ATOM 164 O CYS A 12 -2.303 -8.555 1.118 1.00 0.00 O ATOM 165 CB CYS A 12 -2.291 -5.972 2.188 1.00 0.00 C ATOM 166 SG CYS A 12 -1.707 -6.548 3.816 1.00 0.00 S ATOM 167 H CYS A 12 -2.769 -5.537 -0.343 1.00 0.00 H ATOM 168 HA CYS A 12 -0.372 -5.995 1.239 1.00 0.00 H ATOM 169 HB2 CYS A 12 -2.384 -4.898 2.234 1.00 0.00 H ATOM 170 HB3 CYS A 12 -3.265 -6.404 2.019 1.00 0.00 H HETATM 171 N NH2 A 13 -0.202 -8.363 0.363 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -0.002 -9.304 0.551 1.00 0.00 H HETATM 173 HN2 NH2 A 13 0.383 -7.776 -0.160 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 19 ATOM 1 N GLY A 1 5.905 -5.844 2.945 1.00 0.00 N ATOM 2 CA GLY A 1 4.600 -5.842 2.237 1.00 0.00 C ATOM 3 C GLY A 1 4.168 -4.436 1.886 1.00 0.00 C ATOM 4 O GLY A 1 4.512 -3.497 2.594 1.00 0.00 O ATOM 5 H1 GLY A 1 5.889 -6.529 3.727 1.00 0.00 H ATOM 6 H2 GLY A 1 6.095 -4.895 3.334 1.00 0.00 H ATOM 7 H3 GLY A 1 6.669 -6.096 2.288 1.00 0.00 H ATOM 8 HA2 GLY A 1 4.688 -6.419 1.330 1.00 0.00 H ATOM 9 HA3 GLY A 1 3.852 -6.292 2.874 1.00 0.00 H ATOM 10 N CYS A 2 3.427 -4.287 0.794 1.00 0.00 N ATOM 11 CA CYS A 2 2.961 -2.971 0.356 1.00 0.00 C ATOM 12 C CYS A 2 1.852 -2.462 1.275 1.00 0.00 C ATOM 13 O CYS A 2 1.521 -1.283 1.266 1.00 0.00 O ATOM 14 CB CYS A 2 2.462 -3.036 -1.089 1.00 0.00 C ATOM 15 SG CYS A 2 2.867 -1.569 -2.094 1.00 0.00 S ATOM 16 H CYS A 2 3.188 -5.075 0.262 1.00 0.00 H ATOM 17 HA CYS A 2 3.797 -2.288 0.410 1.00 0.00 H ATOM 18 HB2 CYS A 2 2.902 -3.894 -1.574 1.00 0.00 H ATOM 19 HB3 CYS A 2 1.387 -3.146 -1.085 1.00 0.00 H HETATM 20 N ABA A 3 1.288 -3.374 2.069 1.00 0.00 N HETATM 21 CA ABA A 3 0.211 -3.042 3.004 1.00 0.00 C HETATM 22 C ABA A 3 0.654 -1.980 4.011 1.00 0.00 C HETATM 23 O ABA A 3 -0.174 -1.272 4.578 1.00 0.00 O HETATM 24 CB ABA A 3 -0.246 -4.300 3.744 1.00 0.00 C HETATM 25 CG ABA A 3 -1.568 -4.128 4.458 1.00 0.00 C HETATM 26 H ABA A 3 1.602 -4.295 2.020 1.00 0.00 H HETATM 27 HA ABA A 3 -0.615 -2.654 2.429 1.00 0.00 H HETATM 28 HB3 ABA A 3 0.496 -4.569 4.479 1.00 0.00 H HETATM 29 HB2 ABA A 3 -0.355 -5.108 3.037 1.00 0.00 H HETATM 30 HG1 ABA A 3 -1.714 -4.947 5.147 1.00 0.00 H HETATM 31 HG2 ABA A 3 -1.564 -3.194 5.001 1.00 0.00 H ATOM 32 N SER A 4 1.962 -1.879 4.222 1.00 0.00 N ATOM 33 CA SER A 4 2.528 -0.916 5.138 1.00 0.00 C ATOM 34 C SER A 4 2.280 0.511 4.645 1.00 0.00 C ATOM 35 O SER A 4 2.308 1.466 5.422 1.00 0.00 O ATOM 36 CB SER A 4 4.020 -1.191 5.259 1.00 0.00 C ATOM 37 OG SER A 4 4.256 -2.555 5.581 1.00 0.00 O ATOM 38 H SER A 4 2.574 -2.465 3.744 1.00 0.00 H ATOM 39 HA SER A 4 2.061 -1.047 6.102 1.00 0.00 H ATOM 40 HB2 SER A 4 4.505 -0.965 4.322 1.00 0.00 H ATOM 41 HB3 SER A 4 4.429 -0.578 6.033 1.00 0.00 H ATOM 42 HG SER A 4 4.143 -2.679 6.530 1.00 0.00 H ATOM 43 N ASP A 5 2.022 0.636 3.350 1.00 0.00 N ATOM 44 CA ASP A 5 1.749 1.922 2.732 1.00 0.00 C ATOM 45 C ASP A 5 0.261 2.213 2.812 1.00 0.00 C ATOM 46 O ASP A 5 -0.554 1.385 2.404 1.00 0.00 O ATOM 47 CB ASP A 5 2.156 1.891 1.262 1.00 0.00 C ATOM 48 CG ASP A 5 2.178 3.264 0.620 1.00 0.00 C ATOM 49 OD1 ASP A 5 3.085 4.065 0.915 1.00 0.00 O ATOM 50 OD2 ASP A 5 1.281 3.545 -0.196 1.00 0.00 O ATOM 51 H ASP A 5 1.998 -0.169 2.791 1.00 0.00 H ATOM 52 HA ASP A 5 2.304 2.688 3.252 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.136 1.452 1.169 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.434 1.284 0.725 1.00 0.00 H ATOM 55 N PRO A 6 -0.127 3.385 3.330 1.00 0.00 N ATOM 56 CA PRO A 6 -1.537 3.751 3.442 1.00 0.00 C ATOM 57 C PRO A 6 -2.214 3.815 2.075 1.00 0.00 C ATOM 58 O PRO A 6 -3.405 3.538 1.942 1.00 0.00 O ATOM 59 CB PRO A 6 -1.504 5.143 4.089 1.00 0.00 C ATOM 60 CG PRO A 6 -0.149 5.259 4.701 1.00 0.00 C ATOM 61 CD PRO A 6 0.765 4.434 3.843 1.00 0.00 C ATOM 62 HA PRO A 6 -2.077 3.066 4.080 1.00 0.00 H ATOM 63 HB2 PRO A 6 -1.659 5.896 3.331 1.00 0.00 H ATOM 64 HB3 PRO A 6 -2.280 5.213 4.837 1.00 0.00 H ATOM 65 HG2 PRO A 6 0.167 6.292 4.701 1.00 0.00 H ATOM 66 HG3 PRO A 6 -0.166 4.873 5.710 1.00 0.00 H ATOM 67 HD2 PRO A 6 1.167 5.029 3.037 1.00 0.00 H ATOM 68 HD3 PRO A 6 1.560 4.007 4.436 1.00 0.00 H ATOM 69 N ARG A 7 -1.437 4.190 1.065 1.00 0.00 N ATOM 70 CA ARG A 7 -1.927 4.302 -0.275 1.00 0.00 C ATOM 71 C ARG A 7 -2.022 2.920 -0.892 1.00 0.00 C ATOM 72 O ARG A 7 -3.080 2.515 -1.330 1.00 0.00 O ATOM 73 CB ARG A 7 -0.995 5.227 -1.067 1.00 0.00 C ATOM 74 CG ARG A 7 -0.804 4.875 -2.534 1.00 0.00 C ATOM 75 CD ARG A 7 0.483 5.495 -3.061 1.00 0.00 C ATOM 76 NE ARG A 7 1.609 5.213 -2.167 1.00 0.00 N ATOM 77 CZ ARG A 7 2.833 5.719 -2.293 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.134 6.503 -3.324 1.00 0.00 N ATOM 79 NH2 ARG A 7 3.756 5.434 -1.379 1.00 0.00 N ATOM 80 H ARG A 7 -0.498 4.386 1.225 1.00 0.00 H ATOM 81 HA ARG A 7 -2.914 4.741 -0.237 1.00 0.00 H ATOM 82 HB2 ARG A 7 -1.388 6.224 -1.017 1.00 0.00 H ATOM 83 HB3 ARG A 7 -0.026 5.217 -0.592 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.748 3.801 -2.638 1.00 0.00 H ATOM 85 HG3 ARG A 7 -1.639 5.255 -3.104 1.00 0.00 H ATOM 86 HD2 ARG A 7 0.696 5.086 -4.038 1.00 0.00 H ATOM 87 HD3 ARG A 7 0.351 6.564 -3.137 1.00 0.00 H ATOM 88 HE ARG A 7 1.431 4.605 -1.396 1.00 0.00 H ATOM 89 HH11 ARG A 7 2.441 6.717 -4.011 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.056 6.882 -3.415 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.521 4.838 -0.587 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.680 5.802 -1.459 1.00 0.00 H ATOM 93 N CYS A 8 -0.888 2.222 -0.918 1.00 0.00 N ATOM 94 CA CYS A 8 -0.769 0.878 -1.507 1.00 0.00 C ATOM 95 C CYS A 8 -1.446 -0.223 -0.685 1.00 0.00 C ATOM 96 O CYS A 8 -1.103 -1.403 -0.800 1.00 0.00 O ATOM 97 CB CYS A 8 0.710 0.537 -1.680 1.00 0.00 C ATOM 98 SG CYS A 8 1.062 -0.902 -2.747 1.00 0.00 S ATOM 99 H CYS A 8 -0.076 2.646 -0.541 1.00 0.00 H ATOM 100 HA CYS A 8 -1.240 0.914 -2.481 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.221 1.388 -2.100 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.115 0.327 -0.705 1.00 0.00 H ATOM 103 N ALA A 9 -2.409 0.160 0.118 1.00 0.00 N ATOM 104 CA ALA A 9 -3.161 -0.779 0.956 1.00 0.00 C ATOM 105 C ALA A 9 -3.799 -1.906 0.131 1.00 0.00 C ATOM 106 O ALA A 9 -4.082 -2.986 0.645 1.00 0.00 O ATOM 107 CB ALA A 9 -4.223 -0.038 1.754 1.00 0.00 C ATOM 108 H ALA A 9 -2.617 1.112 0.155 1.00 0.00 H ATOM 109 HA ALA A 9 -2.470 -1.218 1.646 1.00 0.00 H ATOM 110 HB1 ALA A 9 -4.988 0.326 1.084 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.770 0.795 2.269 1.00 0.00 H ATOM 112 HB3 ALA A 9 -4.665 -0.709 2.474 1.00 0.00 H ATOM 113 N TRP A 10 -4.013 -1.645 -1.146 1.00 0.00 N ATOM 114 CA TRP A 10 -4.608 -2.625 -2.062 1.00 0.00 C ATOM 115 C TRP A 10 -3.682 -3.818 -2.285 1.00 0.00 C ATOM 116 O TRP A 10 -4.112 -4.880 -2.731 1.00 0.00 O ATOM 117 CB TRP A 10 -4.970 -1.967 -3.405 1.00 0.00 C ATOM 118 CG TRP A 10 -4.345 -0.623 -3.572 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.895 0.550 -3.185 1.00 0.00 C ATOM 120 CD2 TRP A 10 -3.077 -0.301 -4.163 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.037 1.578 -3.448 1.00 0.00 N ATOM 122 CE2 TRP A 10 -2.918 1.089 -4.045 1.00 0.00 C ATOM 123 CE3 TRP A 10 -2.057 -1.043 -4.756 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -1.783 1.759 -4.487 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -0.930 -0.379 -5.210 1.00 0.00 C ATOM 126 CH2 TRP A 10 -0.798 1.010 -5.066 1.00 0.00 C ATOM 127 H TRP A 10 -3.761 -0.769 -1.487 1.00 0.00 H ATOM 128 HA TRP A 10 -5.503 -2.980 -1.599 1.00 0.00 H ATOM 129 HB2 TRP A 10 -4.638 -2.596 -4.216 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.041 -1.840 -3.460 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.863 0.636 -2.717 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.192 2.517 -3.231 1.00 0.00 H ATOM 133 HE3 TRP A 10 -2.140 -2.117 -4.871 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -1.663 2.833 -4.351 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -0.129 -0.936 -5.674 1.00 0.00 H ATOM 136 HH2 TRP A 10 0.098 1.487 -5.437 1.00 0.00 H ATOM 137 N ARG A 11 -2.415 -3.639 -1.966 1.00 0.00 N ATOM 138 CA ARG A 11 -1.434 -4.700 -2.127 1.00 0.00 C ATOM 139 C ARG A 11 -0.940 -5.214 -0.776 1.00 0.00 C ATOM 140 O ARG A 11 0.262 -5.211 -0.497 1.00 0.00 O ATOM 141 CB ARG A 11 -0.254 -4.230 -2.981 1.00 0.00 C ATOM 142 CG ARG A 11 -0.606 -4.038 -4.446 1.00 0.00 C ATOM 143 CD ARG A 11 0.598 -3.585 -5.262 1.00 0.00 C ATOM 144 NE ARG A 11 1.653 -4.605 -5.327 1.00 0.00 N ATOM 145 CZ ARG A 11 1.543 -5.765 -5.986 1.00 0.00 C ATOM 146 NH1 ARG A 11 0.431 -6.056 -6.658 1.00 0.00 N ATOM 147 NH2 ARG A 11 2.553 -6.629 -5.979 1.00 0.00 N ATOM 148 H ARG A 11 -2.136 -2.770 -1.603 1.00 0.00 H ATOM 149 HA ARG A 11 -1.924 -5.512 -2.642 1.00 0.00 H ATOM 150 HB2 ARG A 11 0.105 -3.288 -2.593 1.00 0.00 H ATOM 151 HB3 ARG A 11 0.538 -4.962 -2.916 1.00 0.00 H ATOM 152 HG2 ARG A 11 -0.965 -4.975 -4.845 1.00 0.00 H ATOM 153 HG3 ARG A 11 -1.383 -3.292 -4.523 1.00 0.00 H ATOM 154 HD2 ARG A 11 0.269 -3.360 -6.265 1.00 0.00 H ATOM 155 HD3 ARG A 11 1.004 -2.692 -4.810 1.00 0.00 H ATOM 156 HE ARG A 11 2.488 -4.407 -4.850 1.00 0.00 H ATOM 157 HH11 ARG A 11 -0.330 -5.405 -6.677 1.00 0.00 H ATOM 158 HH12 ARG A 11 0.350 -6.924 -7.150 1.00 0.00 H ATOM 159 HH21 ARG A 11 3.397 -6.414 -5.485 1.00 0.00 H ATOM 160 HH22 ARG A 11 2.477 -7.501 -6.468 1.00 0.00 H ATOM 161 N CYS A 12 -1.865 -5.671 0.058 1.00 0.00 N ATOM 162 CA CYS A 12 -1.503 -6.199 1.370 1.00 0.00 C ATOM 163 C CYS A 12 -1.159 -7.679 1.271 1.00 0.00 C ATOM 164 O CYS A 12 -0.312 -8.180 2.009 1.00 0.00 O ATOM 165 CB CYS A 12 -2.637 -6.006 2.384 1.00 0.00 C ATOM 166 SG CYS A 12 -2.875 -4.293 2.954 1.00 0.00 S ATOM 167 H CYS A 12 -2.807 -5.657 -0.214 1.00 0.00 H ATOM 168 HA CYS A 12 -0.631 -5.662 1.713 1.00 0.00 H ATOM 169 HB2 CYS A 12 -3.563 -6.330 1.938 1.00 0.00 H ATOM 170 HB3 CYS A 12 -2.435 -6.615 3.255 1.00 0.00 H HETATM 171 N NH2 A 13 -1.805 -8.378 0.348 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -2.291 -7.889 -0.347 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -1.767 -9.355 0.398 1.00 0.00 H TER 174 NH2 A 13 ENDMDL MODEL 20 ATOM 1 N GLY A 1 6.787 -4.121 2.977 1.00 0.00 N ATOM 2 CA GLY A 1 5.589 -4.583 2.230 1.00 0.00 C ATOM 3 C GLY A 1 4.685 -3.427 1.872 1.00 0.00 C ATOM 4 O GLY A 1 4.674 -2.424 2.575 1.00 0.00 O ATOM 5 H1 GLY A 1 6.599 -3.187 3.399 1.00 0.00 H ATOM 6 H2 GLY A 1 7.602 -4.042 2.337 1.00 0.00 H ATOM 7 H3 GLY A 1 7.019 -4.792 3.737 1.00 0.00 H ATOM 8 HA2 GLY A 1 5.905 -5.077 1.324 1.00 0.00 H ATOM 9 HA3 GLY A 1 5.040 -5.286 2.843 1.00 0.00 H ATOM 10 N CYS A 2 3.941 -3.554 0.777 1.00 0.00 N ATOM 11 CA CYS A 2 3.042 -2.486 0.332 1.00 0.00 C ATOM 12 C CYS A 2 1.894 -2.275 1.312 1.00 0.00 C ATOM 13 O CYS A 2 1.306 -1.204 1.361 1.00 0.00 O ATOM 14 CB CYS A 2 2.492 -2.783 -1.062 1.00 0.00 C ATOM 15 SG CYS A 2 2.875 -1.498 -2.294 1.00 0.00 S ATOM 16 H CYS A 2 4.001 -4.375 0.248 1.00 0.00 H ATOM 17 HA CYS A 2 3.619 -1.578 0.288 1.00 0.00 H ATOM 18 HB2 CYS A 2 2.910 -3.714 -1.417 1.00 0.00 H ATOM 19 HB3 CYS A 2 1.418 -2.877 -1.006 1.00 0.00 H HETATM 20 N ABA A 3 1.585 -3.303 2.097 1.00 0.00 N HETATM 21 CA ABA A 3 0.509 -3.223 3.085 1.00 0.00 C HETATM 22 C ABA A 3 0.797 -2.123 4.109 1.00 0.00 C HETATM 23 O ABA A 3 -0.118 -1.536 4.678 1.00 0.00 O HETATM 24 CB ABA A 3 0.335 -4.569 3.795 1.00 0.00 C HETATM 25 CG ABA A 3 -0.853 -4.611 4.736 1.00 0.00 C HETATM 26 H ABA A 3 2.093 -4.131 2.012 1.00 0.00 H HETATM 27 HA ABA A 3 -0.404 -2.981 2.562 1.00 0.00 H HETATM 28 HB3 ABA A 3 1.223 -4.781 4.371 1.00 0.00 H HETATM 29 HB2 ABA A 3 0.197 -5.343 3.054 1.00 0.00 H HETATM 30 HG1 ABA A 3 -1.639 -3.978 4.351 1.00 0.00 H HETATM 31 HG2 ABA A 3 -0.552 -4.258 5.712 1.00 0.00 H ATOM 32 N SER A 4 2.080 -1.861 4.330 1.00 0.00 N ATOM 33 CA SER A 4 2.520 -0.849 5.262 1.00 0.00 C ATOM 34 C SER A 4 2.230 0.556 4.726 1.00 0.00 C ATOM 35 O SER A 4 2.223 1.531 5.478 1.00 0.00 O ATOM 36 CB SER A 4 4.014 -1.032 5.487 1.00 0.00 C ATOM 37 OG SER A 4 4.329 -2.404 5.693 1.00 0.00 O ATOM 38 H SER A 4 2.762 -2.360 3.848 1.00 0.00 H ATOM 39 HA SER A 4 1.998 -0.992 6.195 1.00 0.00 H ATOM 40 HB2 SER A 4 4.556 -0.676 4.624 1.00 0.00 H ATOM 41 HB3 SER A 4 4.309 -0.477 6.351 1.00 0.00 H ATOM 42 HG SER A 4 4.059 -2.659 6.583 1.00 0.00 H ATOM 43 N ASP A 5 1.991 0.643 3.423 1.00 0.00 N ATOM 44 CA ASP A 5 1.696 1.912 2.775 1.00 0.00 C ATOM 45 C ASP A 5 0.202 2.180 2.819 1.00 0.00 C ATOM 46 O ASP A 5 -0.593 1.344 2.389 1.00 0.00 O ATOM 47 CB ASP A 5 2.143 1.874 1.313 1.00 0.00 C ATOM 48 CG ASP A 5 2.170 3.244 0.665 1.00 0.00 C ATOM 49 OD1 ASP A 5 3.056 4.058 0.988 1.00 0.00 O ATOM 50 OD2 ASP A 5 1.299 3.512 -0.183 1.00 0.00 O ATOM 51 H ASP A 5 2.002 -0.172 2.881 1.00 0.00 H ATOM 52 HA ASP A 5 2.223 2.697 3.295 1.00 0.00 H ATOM 53 HB2 ASP A 5 3.129 1.444 1.251 1.00 0.00 H ATOM 54 HB3 ASP A 5 1.444 1.253 0.757 1.00 0.00 H ATOM 55 N PRO A 6 -0.210 3.345 3.334 1.00 0.00 N ATOM 56 CA PRO A 6 -1.625 3.699 3.418 1.00 0.00 C ATOM 57 C PRO A 6 -2.262 3.806 2.036 1.00 0.00 C ATOM 58 O PRO A 6 -3.452 3.550 1.862 1.00 0.00 O ATOM 59 CB PRO A 6 -1.622 5.067 4.114 1.00 0.00 C ATOM 60 CG PRO A 6 -0.274 5.187 4.742 1.00 0.00 C ATOM 61 CD PRO A 6 0.660 4.399 3.871 1.00 0.00 C ATOM 62 HA PRO A 6 -2.177 2.987 4.015 1.00 0.00 H ATOM 63 HB2 PRO A 6 -1.784 5.844 3.381 1.00 0.00 H ATOM 64 HB3 PRO A 6 -2.406 5.097 4.855 1.00 0.00 H ATOM 65 HG2 PRO A 6 0.027 6.225 4.773 1.00 0.00 H ATOM 66 HG3 PRO A 6 -0.297 4.773 5.740 1.00 0.00 H ATOM 67 HD2 PRO A 6 1.054 5.018 3.080 1.00 0.00 H ATOM 68 HD3 PRO A 6 1.460 3.976 4.460 1.00 0.00 H ATOM 69 N ARG A 7 -1.453 4.192 1.055 1.00 0.00 N ATOM 70 CA ARG A 7 -1.905 4.343 -0.294 1.00 0.00 C ATOM 71 C ARG A 7 -2.000 2.977 -0.942 1.00 0.00 C ATOM 72 O ARG A 7 -3.053 2.592 -1.402 1.00 0.00 O ATOM 73 CB ARG A 7 -0.938 5.270 -1.040 1.00 0.00 C ATOM 74 CG ARG A 7 -0.721 4.952 -2.512 1.00 0.00 C ATOM 75 CD ARG A 7 0.583 5.565 -2.998 1.00 0.00 C ATOM 76 NE ARG A 7 1.690 5.244 -2.091 1.00 0.00 N ATOM 77 CZ ARG A 7 2.924 5.729 -2.188 1.00 0.00 C ATOM 78 NH1 ARG A 7 3.258 6.526 -3.199 1.00 0.00 N ATOM 79 NH2 ARG A 7 3.825 5.411 -1.264 1.00 0.00 N ATOM 80 H ARG A 7 -0.516 4.368 1.243 1.00 0.00 H ATOM 81 HA ARG A 7 -2.885 4.794 -0.273 1.00 0.00 H ATOM 82 HB2 ARG A 7 -1.312 6.274 -0.973 1.00 0.00 H ATOM 83 HB3 ARG A 7 0.021 5.229 -0.545 1.00 0.00 H ATOM 84 HG2 ARG A 7 -0.680 3.881 -2.642 1.00 0.00 H ATOM 85 HG3 ARG A 7 -1.540 5.360 -3.087 1.00 0.00 H ATOM 86 HD2 ARG A 7 0.808 5.178 -3.982 1.00 0.00 H ATOM 87 HD3 ARG A 7 0.470 6.638 -3.050 1.00 0.00 H ATOM 88 HE ARG A 7 1.486 4.625 -1.336 1.00 0.00 H ATOM 89 HH11 ARG A 7 2.580 6.765 -3.895 1.00 0.00 H ATOM 90 HH12 ARG A 7 4.188 6.891 -3.266 1.00 0.00 H ATOM 91 HH21 ARG A 7 3.566 4.805 -0.487 1.00 0.00 H ATOM 92 HH22 ARG A 7 4.757 5.764 -1.320 1.00 0.00 H ATOM 93 N CYS A 8 -0.873 2.270 -0.966 1.00 0.00 N ATOM 94 CA CYS A 8 -0.761 0.938 -1.581 1.00 0.00 C ATOM 95 C CYS A 8 -1.421 -0.176 -0.764 1.00 0.00 C ATOM 96 O CYS A 8 -1.081 -1.354 -0.902 1.00 0.00 O ATOM 97 CB CYS A 8 0.719 0.606 -1.785 1.00 0.00 C ATOM 98 SG CYS A 8 1.051 -0.821 -2.876 1.00 0.00 S ATOM 99 H CYS A 8 -0.062 2.675 -0.568 1.00 0.00 H ATOM 100 HA CYS A 8 -1.248 0.989 -2.545 1.00 0.00 H ATOM 101 HB2 CYS A 8 1.217 1.465 -2.208 1.00 0.00 H ATOM 102 HB3 CYS A 8 1.147 0.390 -0.819 1.00 0.00 H ATOM 103 N ALA A 9 -2.362 0.199 0.069 1.00 0.00 N ATOM 104 CA ALA A 9 -3.094 -0.749 0.913 1.00 0.00 C ATOM 105 C ALA A 9 -3.747 -1.875 0.101 1.00 0.00 C ATOM 106 O ALA A 9 -3.990 -2.966 0.618 1.00 0.00 O ATOM 107 CB ALA A 9 -4.139 -0.018 1.742 1.00 0.00 C ATOM 108 H ALA A 9 -2.568 1.150 0.125 1.00 0.00 H ATOM 109 HA ALA A 9 -2.387 -1.190 1.585 1.00 0.00 H ATOM 110 HB1 ALA A 9 -4.108 1.037 1.510 1.00 0.00 H ATOM 111 HB2 ALA A 9 -3.933 -0.162 2.791 1.00 0.00 H ATOM 112 HB3 ALA A 9 -5.120 -0.407 1.509 1.00 0.00 H ATOM 113 N TRP A 10 -4.023 -1.599 -1.168 1.00 0.00 N ATOM 114 CA TRP A 10 -4.646 -2.571 -2.078 1.00 0.00 C ATOM 115 C TRP A 10 -3.764 -3.797 -2.277 1.00 0.00 C ATOM 116 O TRP A 10 -4.244 -4.876 -2.623 1.00 0.00 O ATOM 117 CB TRP A 10 -4.982 -1.926 -3.436 1.00 0.00 C ATOM 118 CG TRP A 10 -4.373 -0.578 -3.599 1.00 0.00 C ATOM 119 CD1 TRP A 10 -4.928 0.587 -3.196 1.00 0.00 C ATOM 120 CD2 TRP A 10 -3.118 -0.239 -4.208 1.00 0.00 C ATOM 121 NE1 TRP A 10 -4.083 1.624 -3.458 1.00 0.00 N ATOM 122 CE2 TRP A 10 -2.967 1.151 -4.075 1.00 0.00 C ATOM 123 CE3 TRP A 10 -2.099 -0.965 -4.827 1.00 0.00 C ATOM 124 CZ2 TRP A 10 -1.846 1.838 -4.525 1.00 0.00 C ATOM 125 CZ3 TRP A 10 -0.984 -0.284 -5.290 1.00 0.00 C ATOM 126 CH2 TRP A 10 -0.863 1.104 -5.130 1.00 0.00 C ATOM 127 H TRP A 10 -3.796 -0.713 -1.501 1.00 0.00 H ATOM 128 HA TRP A 10 -5.555 -2.890 -1.613 1.00 0.00 H ATOM 129 HB2 TRP A 10 -4.625 -2.558 -4.233 1.00 0.00 H ATOM 130 HB3 TRP A 10 -6.055 -1.813 -3.517 1.00 0.00 H ATOM 131 HD1 TRP A 10 -5.892 0.659 -2.715 1.00 0.00 H ATOM 132 HE1 TRP A 10 -4.241 2.558 -3.226 1.00 0.00 H ATOM 133 HE3 TRP A 10 -2.175 -2.035 -4.960 1.00 0.00 H ATOM 134 HZ2 TRP A 10 -1.730 2.909 -4.373 1.00 0.00 H ATOM 135 HZ3 TRP A 10 -0.187 -0.829 -5.773 1.00 0.00 H ATOM 136 HH2 TRP A 10 0.024 1.593 -5.506 1.00 0.00 H ATOM 137 N ARG A 11 -2.481 -3.632 -2.037 1.00 0.00 N ATOM 138 CA ARG A 11 -1.537 -4.730 -2.168 1.00 0.00 C ATOM 139 C ARG A 11 -1.317 -5.403 -0.818 1.00 0.00 C ATOM 140 O ARG A 11 -0.180 -5.595 -0.380 1.00 0.00 O ATOM 141 CB ARG A 11 -0.206 -4.247 -2.749 1.00 0.00 C ATOM 142 CG ARG A 11 -0.310 -3.767 -4.187 1.00 0.00 C ATOM 143 CD ARG A 11 -0.947 -4.819 -5.082 1.00 0.00 C ATOM 144 NE ARG A 11 -0.168 -6.057 -5.120 1.00 0.00 N ATOM 145 CZ ARG A 11 -0.570 -7.172 -5.728 1.00 0.00 C ATOM 146 NH1 ARG A 11 -1.756 -7.213 -6.328 1.00 0.00 N ATOM 147 NH2 ARG A 11 0.211 -8.248 -5.731 1.00 0.00 N ATOM 148 H ARG A 11 -2.167 -2.750 -1.742 1.00 0.00 H ATOM 149 HA ARG A 11 -1.970 -5.451 -2.845 1.00 0.00 H ATOM 150 HB2 ARG A 11 0.162 -3.430 -2.145 1.00 0.00 H ATOM 151 HB3 ARG A 11 0.504 -5.058 -2.714 1.00 0.00 H ATOM 152 HG2 ARG A 11 -0.914 -2.872 -4.215 1.00 0.00 H ATOM 153 HG3 ARG A 11 0.681 -3.547 -4.556 1.00 0.00 H ATOM 154 HD2 ARG A 11 -1.936 -5.039 -4.708 1.00 0.00 H ATOM 155 HD3 ARG A 11 -1.023 -4.422 -6.084 1.00 0.00 H ATOM 156 HE ARG A 11 0.707 -6.048 -4.671 1.00 0.00 H ATOM 157 HH11 ARG A 11 -2.351 -6.407 -6.322 1.00 0.00 H ATOM 158 HH12 ARG A 11 -2.063 -8.050 -6.788 1.00 0.00 H ATOM 159 HH21 ARG A 11 1.105 -8.224 -5.277 1.00 0.00 H ATOM 160 HH22 ARG A 11 -0.088 -9.088 -6.188 1.00 0.00 H ATOM 161 N CYS A 12 -2.415 -5.752 -0.164 1.00 0.00 N ATOM 162 CA CYS A 12 -2.362 -6.398 1.137 1.00 0.00 C ATOM 163 C CYS A 12 -3.570 -7.308 1.316 1.00 0.00 C ATOM 164 O CYS A 12 -4.694 -6.933 0.987 1.00 0.00 O ATOM 165 CB CYS A 12 -2.329 -5.344 2.246 1.00 0.00 C ATOM 166 SG CYS A 12 -2.008 -6.018 3.909 1.00 0.00 S ATOM 167 H CYS A 12 -3.293 -5.565 -0.567 1.00 0.00 H ATOM 168 HA CYS A 12 -1.462 -6.992 1.180 1.00 0.00 H ATOM 169 HB2 CYS A 12 -1.550 -4.628 2.028 1.00 0.00 H ATOM 170 HB3 CYS A 12 -3.280 -4.834 2.276 1.00 0.00 H HETATM 171 N NH2 A 13 -3.339 -8.510 1.827 1.00 0.00 N HETATM 172 HN1 NH2 A 13 -3.874 -8.794 2.596 1.00 0.00 H HETATM 173 HN2 NH2 A 13 -2.645 -9.062 1.413 1.00 0.00 H TER 174 NH2 A 13 ENDMDL CONECT 12 20 CONECT 15 98 CONECT 20 12 21 26 CONECT 21 20 22 24 27 CONECT 22 21 23 32 CONECT 23 22 CONECT 24 21 25 28 29 CONECT 25 24 30 31 166 CONECT 26 20 CONECT 27 21 CONECT 28 24 CONECT 29 24 CONECT 30 25 CONECT 31 25 CONECT 32 22 CONECT 98 15 CONECT 163 171 CONECT 166 25 CONECT 171 163 172 173 CONECT 172 171 CONECT 173 171 MASTER 139 0 2 1 0 0 0 6 91 1 21 1 END