HEADER DE NOVO PROTEIN 05-DEC-08 SMS20063 TITLE NMR STRUCTURE OF A MODEL PEPTIDE BOUND TO GROEL COMPND MOL_ID: 1; COMPND 2 MOLECULE: SBP W2DP6V; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 OTHER_DETAILS: SYNTHESIZED BY SOLID PHASE SYNTHESIS USING ABI433A KEYWDS GROEL, BOUND, DE NOVO PROTEIN EXPDTA SOLUTION NMR NUMMDL 15 AUTHOR Y.LI,X.GAO,L.CHEN JRNL AUTH Y.LI,X.GAO,L.CHEN JRNL TITL GROEL RECOGNIZES AN AMPHIPATHIC HELIX AND BINDS TO THE JRNL TITL 2 HYDROPHOBIC SIDE JRNL REF J.BIOL.CHEM. V. 284 4324 2009 JRNL REFN ISSN 0021-9258 JRNL PMID 19074438 JRNL DOI 10.1074/JBC.M804818200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROCHECK-NMR, MOLMOL REMARK 3 AUTHORS : LASKOWSKI AND MACARTHUR (PROCHECK-NMR), KORADI, REMARK 3 BILLETER AND WUTHRICH (MOLMOL) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 05-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20063. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.1 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 2.0MM SBP W2DP6V; 50MM POTASSIUM REMARK 210 PHOSPHATE; 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 : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DISCOVER REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O THR A 5 H PHE A 9 1.97 REMARK 500 O SER A 1 H MET A 3 2.01 REMARK 500 O TRP A 7 H HIS A 11 2.10 REMARK 500 O THR A 4 HE1 TRP A 7 2.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 ASP A 2 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 1 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 1 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 2 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 3 ASP A 2 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 3 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 4 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 4 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 5 ASP A 2 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES REMARK 500 5 ASP A 2 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 5 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 6 ASP A 2 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 6 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 6 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 7 ASP A 2 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 7 ASP A 2 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 7 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 8 ASP A 2 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 8 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 9 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 9 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 10 ASP A 2 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES REMARK 500 10 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 11 ASP A 2 CB - CG - OD2 ANGL. DEV. = -5.6 DEGREES REMARK 500 11 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 12 ASP A 2 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 12 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 12 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 13 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 14 ASP A 2 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES REMARK 500 14 ASP A 2 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES REMARK 500 14 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 15 HIS A 11 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES 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 ASP A 2 -80.02 69.45 REMARK 500 1 THR A 4 49.25 -98.52 REMARK 500 1 THR A 5 15.42 -148.82 REMARK 500 2 MET A 3 -70.75 -125.08 REMARK 500 3 THR A 5 26.37 -140.25 REMARK 500 4 ASP A 2 -74.33 75.50 REMARK 500 4 THR A 4 43.26 -97.91 REMARK 500 4 THR A 5 18.15 -146.01 REMARK 500 5 MET A 3 -70.09 -129.46 REMARK 500 6 MET A 3 -73.21 -134.90 REMARK 500 7 MET A 3 -69.62 -133.96 REMARK 500 9 ASP A 2 -77.82 81.82 REMARK 500 9 THR A 4 50.03 -98.75 REMARK 500 9 THR A 5 14.71 -148.33 REMARK 500 10 THR A 4 40.34 -88.90 REMARK 500 10 THR A 5 18.62 -144.57 REMARK 500 11 MET A 3 -72.52 -128.70 REMARK 500 12 ASP A 2 -81.54 64.68 REMARK 500 12 THR A 4 34.74 -93.47 REMARK 500 13 THR A 4 30.12 -89.84 REMARK 500 14 ASP A 2 -87.24 67.97 REMARK 500 15 THR A 4 34.08 -91.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20063 RELATED DB: BMRB DBREF A 1 12 BMRB SMS20063 SMS20063 1 12 SEQADV NH2 A 13 BMRB SMS20063 AMIDATION SEQRES 1 A 13 SER ASP MET THR THR VAL TRP GLY PHE LEU HIS PRO NH2 HET NH2 A 13 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N HELIX 1 1 SER A 1 THR A 4 5 4 HELIX 2 2 THR A 5 HIS A 11 1 7 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 SER A 1 2.369 6.661 4.901 1.00 0.00 N ATOM 2 CA SER A 1 1.035 6.626 5.556 1.00 0.00 C ATOM 3 C SER A 1 -0.104 6.944 4.542 1.00 0.00 C ATOM 4 O SER A 1 -0.124 8.014 3.925 1.00 0.00 O ATOM 5 CB SER A 1 1.015 7.599 6.756 1.00 0.00 C ATOM 6 OG SER A 1 1.926 7.191 7.775 1.00 0.00 O ATOM 7 H1 SER A 1 3.102 6.406 5.572 1.00 0.00 H ATOM 8 H2 SER A 1 2.581 7.624 4.608 1.00 0.00 H ATOM 9 HA SER A 1 0.888 5.605 5.960 1.00 0.00 H ATOM 10 HB2 SER A 1 1.234 8.638 6.436 1.00 0.00 H ATOM 11 HB3 SER A 1 -0.003 7.640 7.194 1.00 0.00 H ATOM 12 HG SER A 1 2.812 7.259 7.406 1.00 0.00 H ATOM 13 N ASP A 2 -1.061 6.011 4.374 1.00 0.00 N ATOM 14 CA ASP A 2 -2.244 6.157 3.457 1.00 0.00 C ATOM 15 C ASP A 2 -1.864 6.128 1.941 1.00 0.00 C ATOM 16 O ASP A 2 -1.977 5.091 1.283 1.00 0.00 O ATOM 17 CB ASP A 2 -3.223 7.291 3.895 1.00 0.00 C ATOM 18 CG ASP A 2 -3.877 7.097 5.257 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.547 7.705 6.269 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.872 6.174 5.225 1.00 0.00 O ATOM 21 H ASP A 2 -0.861 5.137 4.875 1.00 0.00 H ATOM 22 HA ASP A 2 -2.806 5.221 3.558 1.00 0.00 H ATOM 23 HB2 ASP A 2 -2.707 8.269 3.896 1.00 0.00 H ATOM 24 HB3 ASP A 2 -4.032 7.396 3.151 1.00 0.00 H ATOM 25 HD2 ASP A 2 -5.237 6.103 6.108 1.00 0.00 H ATOM 26 N MET A 3 -1.382 7.255 1.407 1.00 0.00 N ATOM 27 CA MET A 3 -0.803 7.325 0.026 1.00 0.00 C ATOM 28 C MET A 3 0.463 6.423 -0.178 1.00 0.00 C ATOM 29 O MET A 3 0.541 5.643 -1.129 1.00 0.00 O ATOM 30 CB MET A 3 -0.647 8.813 -0.395 1.00 0.00 C ATOM 31 CG MET A 3 0.375 9.681 0.379 1.00 0.00 C ATOM 32 SD MET A 3 0.326 11.387 -0.207 1.00 0.00 S ATOM 33 CE MET A 3 -0.970 12.059 0.850 1.00 0.00 C ATOM 34 H MET A 3 -1.103 7.881 2.171 1.00 0.00 H ATOM 35 HA MET A 3 -1.543 6.880 -0.653 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.386 8.847 -1.472 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.639 9.301 -0.344 1.00 0.00 H ATOM 38 HG2 MET A 3 0.196 9.656 1.471 1.00 0.00 H ATOM 39 HG3 MET A 3 1.403 9.300 0.232 1.00 0.00 H ATOM 40 HE1 MET A 3 -0.688 11.977 1.915 1.00 0.00 H ATOM 41 HE2 MET A 3 -1.140 13.126 0.622 1.00 0.00 H ATOM 42 HE3 MET A 3 -1.922 11.519 0.701 1.00 0.00 H ATOM 43 N THR A 4 1.395 6.476 0.781 1.00 0.00 N ATOM 44 CA THR A 4 2.539 5.505 0.875 1.00 0.00 C ATOM 45 C THR A 4 2.276 4.357 1.908 1.00 0.00 C ATOM 46 O THR A 4 3.077 3.996 2.773 1.00 0.00 O ATOM 47 CB THR A 4 3.895 6.241 1.065 1.00 0.00 C ATOM 48 OG1 THR A 4 3.901 7.048 2.239 1.00 0.00 O ATOM 49 CG2 THR A 4 4.248 7.138 -0.126 1.00 0.00 C ATOM 50 H THR A 4 1.074 7.073 1.546 1.00 0.00 H ATOM 51 HA THR A 4 2.619 4.920 -0.074 1.00 0.00 H ATOM 52 HB THR A 4 4.697 5.481 1.158 1.00 0.00 H ATOM 53 HG1 THR A 4 3.581 6.494 2.960 1.00 0.00 H ATOM 54 HG21 THR A 4 3.506 7.951 -0.242 1.00 0.00 H ATOM 55 HG22 THR A 4 4.251 6.567 -1.073 1.00 0.00 H ATOM 56 HG23 THR A 4 5.237 7.606 0.002 1.00 0.00 H ATOM 57 N THR A 5 1.093 3.776 1.748 1.00 0.00 N ATOM 58 CA THR A 5 0.678 2.446 2.272 1.00 0.00 C ATOM 59 C THR A 5 -0.367 1.783 1.295 1.00 0.00 C ATOM 60 O THR A 5 -0.948 0.753 1.640 1.00 0.00 O ATOM 61 CB THR A 5 0.283 2.414 3.766 1.00 0.00 C ATOM 62 OG1 THR A 5 0.966 3.387 4.551 1.00 0.00 O ATOM 63 CG2 THR A 5 0.574 1.053 4.427 1.00 0.00 C ATOM 64 H THR A 5 0.423 4.421 1.307 1.00 0.00 H ATOM 65 HA THR A 5 1.521 1.738 2.167 1.00 0.00 H ATOM 66 HB THR A 5 -0.788 2.627 3.767 1.00 0.00 H ATOM 67 HG1 THR A 5 1.833 3.501 4.136 1.00 0.00 H ATOM 68 HG21 THR A 5 1.643 0.769 4.345 1.00 0.00 H ATOM 69 HG22 THR A 5 -0.007 0.235 3.964 1.00 0.00 H ATOM 70 HG23 THR A 5 0.324 1.052 5.503 1.00 0.00 H ATOM 71 N VAL A 6 -0.532 2.257 0.030 1.00 0.00 N ATOM 72 CA VAL A 6 -1.156 1.434 -1.067 1.00 0.00 C ATOM 73 C VAL A 6 -0.353 0.092 -1.292 1.00 0.00 C ATOM 74 O VAL A 6 -0.937 -0.952 -1.581 1.00 0.00 O ATOM 75 CB VAL A 6 -1.387 2.297 -2.358 1.00 0.00 C ATOM 76 CG1 VAL A 6 -2.021 1.505 -3.526 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.296 3.530 -2.128 1.00 0.00 C ATOM 78 H VAL A 6 -0.084 3.169 -0.150 1.00 0.00 H ATOM 79 HA VAL A 6 -2.130 1.081 -0.709 1.00 0.00 H ATOM 80 HB VAL A 6 -0.399 2.666 -2.702 1.00 0.00 H ATOM 81 HG11 VAL A 6 -3.013 1.091 -3.259 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.160 2.128 -4.428 1.00 0.00 H ATOM 83 HG13 VAL A 6 -1.394 0.649 -3.838 1.00 0.00 H ATOM 84 HG21 VAL A 6 -3.310 3.244 -1.786 1.00 0.00 H ATOM 85 HG22 VAL A 6 -2.419 4.135 -3.046 1.00 0.00 H ATOM 86 HG23 VAL A 6 -1.885 4.215 -1.363 1.00 0.00 H ATOM 87 N TRP A 7 0.972 0.123 -1.054 1.00 0.00 N ATOM 88 CA TRP A 7 1.806 -1.103 -0.933 1.00 0.00 C ATOM 89 C TRP A 7 1.448 -2.092 0.236 1.00 0.00 C ATOM 90 O TRP A 7 1.598 -3.302 0.081 1.00 0.00 O ATOM 91 CB TRP A 7 3.283 -0.635 -0.906 1.00 0.00 C ATOM 92 CG TRP A 7 3.853 -0.063 0.414 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.780 1.275 0.850 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.407 -0.763 1.480 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.362 1.442 2.122 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.717 0.165 2.504 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.490 -2.156 1.735 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.152 -0.289 3.770 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.934 -2.586 2.986 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.270 -1.664 3.987 1.00 0.00 C ATOM 101 H TRP A 7 1.226 1.038 -0.642 1.00 0.00 H ATOM 102 HA TRP A 7 1.652 -1.693 -1.849 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.894 -1.507 -1.195 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.451 0.089 -1.727 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.130 2.022 0.410 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.324 2.282 2.716 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.091 -2.862 1.022 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.358 0.414 4.564 1.00 0.00 H ATOM 109 HZ3 TRP A 7 4.976 -3.644 3.200 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.590 -2.025 4.954 1.00 0.00 H ATOM 111 N GLY A 8 1.039 -1.569 1.403 1.00 0.00 N ATOM 112 CA GLY A 8 0.583 -2.398 2.563 1.00 0.00 C ATOM 113 C GLY A 8 -0.889 -2.858 2.557 1.00 0.00 C ATOM 114 O GLY A 8 -1.224 -3.913 3.089 1.00 0.00 O ATOM 115 H GLY A 8 0.737 -0.603 1.243 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.189 -3.305 2.603 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.789 -1.891 3.508 1.00 0.00 H ATOM 118 N PHE A 9 -1.758 -2.060 1.935 1.00 0.00 N ATOM 119 CA PHE A 9 -3.105 -2.520 1.460 1.00 0.00 C ATOM 120 C PHE A 9 -3.029 -3.818 0.560 1.00 0.00 C ATOM 121 O PHE A 9 -3.760 -4.792 0.737 1.00 0.00 O ATOM 122 CB PHE A 9 -3.702 -1.304 0.694 1.00 0.00 C ATOM 123 CG PHE A 9 -5.221 -1.338 0.509 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.061 -0.776 1.475 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.780 -1.922 -0.632 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.444 -0.801 1.303 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.162 -1.949 -0.803 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.992 -1.387 0.164 1.00 0.00 C ATOM 129 H PHE A 9 -1.298 -1.182 1.654 1.00 0.00 H ATOM 130 HA PHE A 9 -3.723 -2.768 2.336 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.416 -0.362 1.189 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.216 -1.205 -0.294 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.646 -0.323 2.363 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.144 -2.372 -1.384 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.091 -0.370 2.054 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.589 -2.410 -1.682 1.00 0.00 H ATOM 137 HZ PHE A 9 -9.064 -1.411 0.034 1.00 0.00 H ATOM 138 N LEU A 10 -2.077 -3.774 -0.379 1.00 0.00 N ATOM 139 CA LEU A 10 -1.629 -4.937 -1.193 1.00 0.00 C ATOM 140 C LEU A 10 -0.896 -6.084 -0.413 1.00 0.00 C ATOM 141 O LEU A 10 -1.167 -7.266 -0.640 1.00 0.00 O ATOM 142 CB LEU A 10 -0.722 -4.387 -2.338 1.00 0.00 C ATOM 143 CG LEU A 10 -1.427 -3.651 -3.508 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.383 -2.950 -4.394 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.261 -4.604 -4.380 1.00 0.00 C ATOM 146 H LEU A 10 -1.598 -2.866 -0.299 1.00 0.00 H ATOM 147 HA LEU A 10 -2.510 -5.426 -1.616 1.00 0.00 H ATOM 148 HB2 LEU A 10 0.048 -3.726 -1.889 1.00 0.00 H ATOM 149 HB3 LEU A 10 -0.113 -5.212 -2.752 1.00 0.00 H ATOM 150 HG LEU A 10 -2.097 -2.871 -3.091 1.00 0.00 H ATOM 151 HD11 LEU A 10 0.197 -2.204 -3.822 1.00 0.00 H ATOM 152 HD12 LEU A 10 -0.856 -2.405 -5.231 1.00 0.00 H ATOM 153 HD13 LEU A 10 0.339 -3.664 -4.833 1.00 0.00 H ATOM 154 HD21 LEU A 10 -1.648 -5.419 -4.811 1.00 0.00 H ATOM 155 HD22 LEU A 10 -3.078 -5.080 -3.809 1.00 0.00 H ATOM 156 HD23 LEU A 10 -2.741 -4.075 -5.224 1.00 0.00 H ATOM 157 N HIS A 11 0.037 -5.729 0.477 1.00 0.00 N ATOM 158 CA HIS A 11 0.868 -6.704 1.242 1.00 0.00 C ATOM 159 C HIS A 11 0.723 -6.460 2.792 1.00 0.00 C ATOM 160 O HIS A 11 1.560 -5.754 3.372 1.00 0.00 O ATOM 161 CB HIS A 11 2.344 -6.626 0.752 1.00 0.00 C ATOM 162 CG HIS A 11 2.600 -6.908 -0.729 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.475 -8.147 -1.316 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.872 -5.939 -1.710 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.654 -7.808 -2.632 1.00 0.00 C ATOM 166 NE2 HIS A 11 2.914 -6.506 -2.976 1.00 0.00 N ATOM 167 H HIS A 11 0.103 -4.705 0.552 1.00 0.00 H ATOM 168 HA HIS A 11 0.529 -7.740 1.049 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.737 -5.629 1.010 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.960 -7.326 1.345 1.00 0.00 H ATOM 171 HD1 HIS A 11 2.133 -9.023 -0.913 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.970 -4.882 -1.512 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.564 -8.557 -3.409 1.00 0.00 H ATOM 174 N PRO A 12 -0.287 -7.031 3.514 1.00 0.00 N ATOM 175 CA PRO A 12 -0.489 -6.761 4.968 1.00 0.00 C ATOM 176 C PRO A 12 0.418 -7.606 5.925 1.00 0.00 C ATOM 177 O PRO A 12 0.035 -8.610 6.520 1.00 0.00 O ATOM 178 CB PRO A 12 -2.006 -7.012 5.097 1.00 0.00 C ATOM 179 CG PRO A 12 -2.324 -8.095 4.062 1.00 0.00 C ATOM 180 CD PRO A 12 -1.404 -7.765 2.888 1.00 0.00 C ATOM 181 HA PRO A 12 -0.308 -5.690 5.195 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.315 -7.297 6.121 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.559 -6.083 4.849 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.077 -9.094 4.471 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.391 -8.114 3.772 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.057 -8.674 2.362 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.912 -7.126 2.139 1.00 0.00 H HETATM 188 N NH2 A 13 1.661 -7.221 6.121 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.208 -7.890 6.669 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.002 -6.530 5.444 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 2 ATOM 1 N SER A 1 -7.582 5.393 4.269 1.00 0.00 N ATOM 2 CA SER A 1 -7.103 6.352 3.239 1.00 0.00 C ATOM 3 C SER A 1 -5.544 6.393 3.128 1.00 0.00 C ATOM 4 O SER A 1 -4.900 7.386 3.480 1.00 0.00 O ATOM 5 CB SER A 1 -7.765 7.716 3.544 1.00 0.00 C ATOM 6 OG SER A 1 -7.351 8.692 2.590 1.00 0.00 O ATOM 7 H1 SER A 1 -7.263 5.684 5.200 1.00 0.00 H ATOM 8 H2 SER A 1 -8.608 5.406 4.316 1.00 0.00 H ATOM 9 HA SER A 1 -7.486 6.022 2.254 1.00 0.00 H ATOM 10 HB2 SER A 1 -8.870 7.635 3.522 1.00 0.00 H ATOM 11 HB3 SER A 1 -7.505 8.067 4.564 1.00 0.00 H ATOM 12 HG SER A 1 -6.385 8.720 2.636 1.00 0.00 H ATOM 13 N ASP A 2 -4.938 5.327 2.585 1.00 0.00 N ATOM 14 CA ASP A 2 -3.458 5.236 2.419 1.00 0.00 C ATOM 15 C ASP A 2 -2.950 5.914 1.096 1.00 0.00 C ATOM 16 O ASP A 2 -3.624 5.975 0.066 1.00 0.00 O ATOM 17 CB ASP A 2 -2.958 3.763 2.472 1.00 0.00 C ATOM 18 CG ASP A 2 -3.508 2.824 3.550 1.00 0.00 C ATOM 19 OD1 ASP A 2 -4.637 2.346 3.498 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.614 2.568 4.551 1.00 0.00 O ATOM 21 H ASP A 2 -5.559 4.520 2.457 1.00 0.00 H ATOM 22 HA ASP A 2 -2.965 5.748 3.271 1.00 0.00 H ATOM 23 HB2 ASP A 2 -3.139 3.294 1.493 1.00 0.00 H ATOM 24 HB3 ASP A 2 -1.859 3.771 2.557 1.00 0.00 H ATOM 25 HD2 ASP A 2 -1.750 2.961 4.398 1.00 0.00 H ATOM 26 N MET A 3 -1.699 6.378 1.148 1.00 0.00 N ATOM 27 CA MET A 3 -0.965 6.955 -0.021 1.00 0.00 C ATOM 28 C MET A 3 0.369 6.166 -0.174 1.00 0.00 C ATOM 29 O MET A 3 0.514 5.302 -1.042 1.00 0.00 O ATOM 30 CB MET A 3 -0.931 8.513 0.029 1.00 0.00 C ATOM 31 CG MET A 3 -0.252 9.217 1.225 1.00 0.00 C ATOM 32 SD MET A 3 -0.521 10.994 1.099 1.00 0.00 S ATOM 33 CE MET A 3 0.343 11.522 2.587 1.00 0.00 C ATOM 34 H MET A 3 -1.225 6.085 2.003 1.00 0.00 H ATOM 35 HA MET A 3 -1.496 6.708 -0.949 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.469 8.884 -0.907 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.978 8.871 -0.028 1.00 0.00 H ATOM 38 HG2 MET A 3 -0.669 8.862 2.187 1.00 0.00 H ATOM 39 HG3 MET A 3 0.838 9.028 1.250 1.00 0.00 H ATOM 40 HE1 MET A 3 1.408 11.227 2.550 1.00 0.00 H ATOM 41 HE2 MET A 3 0.294 12.620 2.692 1.00 0.00 H ATOM 42 HE3 MET A 3 -0.113 11.071 3.487 1.00 0.00 H ATOM 43 N THR A 4 1.294 6.377 0.762 1.00 0.00 N ATOM 44 CA THR A 4 2.535 5.540 0.917 1.00 0.00 C ATOM 45 C THR A 4 2.382 4.294 1.859 1.00 0.00 C ATOM 46 O THR A 4 3.342 3.783 2.432 1.00 0.00 O ATOM 47 CB THR A 4 3.753 6.447 1.265 1.00 0.00 C ATOM 48 OG1 THR A 4 3.525 7.187 2.460 1.00 0.00 O ATOM 49 CG2 THR A 4 4.104 7.451 0.160 1.00 0.00 C ATOM 50 H THR A 4 0.985 7.100 1.414 1.00 0.00 H ATOM 51 HA THR A 4 2.750 5.012 -0.044 1.00 0.00 H ATOM 52 HB THR A 4 4.639 5.796 1.417 1.00 0.00 H ATOM 53 HG1 THR A 4 4.281 7.770 2.561 1.00 0.00 H ATOM 54 HG21 THR A 4 5.016 8.024 0.398 1.00 0.00 H ATOM 55 HG22 THR A 4 3.282 8.175 -0.002 1.00 0.00 H ATOM 56 HG23 THR A 4 4.272 6.937 -0.806 1.00 0.00 H ATOM 57 N THR A 5 1.149 3.792 1.965 1.00 0.00 N ATOM 58 CA THR A 5 0.834 2.381 2.324 1.00 0.00 C ATOM 59 C THR A 5 -0.258 1.818 1.347 1.00 0.00 C ATOM 60 O THR A 5 -0.943 0.854 1.684 1.00 0.00 O ATOM 61 CB THR A 5 0.621 2.080 3.836 1.00 0.00 C ATOM 62 OG1 THR A 5 0.067 3.183 4.544 1.00 0.00 O ATOM 63 CG2 THR A 5 1.909 1.626 4.543 1.00 0.00 C ATOM 64 H THR A 5 0.462 4.397 1.500 1.00 0.00 H ATOM 65 HA THR A 5 1.676 1.733 2.012 1.00 0.00 H ATOM 66 HB THR A 5 -0.062 1.219 3.912 1.00 0.00 H ATOM 67 HG1 THR A 5 0.830 3.708 4.813 1.00 0.00 H ATOM 68 HG21 THR A 5 2.330 0.718 4.061 1.00 0.00 H ATOM 69 HG22 THR A 5 1.731 1.354 5.598 1.00 0.00 H ATOM 70 HG23 THR A 5 2.709 2.388 4.512 1.00 0.00 H ATOM 71 N VAL A 6 -0.371 2.313 0.082 1.00 0.00 N ATOM 72 CA VAL A 6 -1.026 1.531 -1.027 1.00 0.00 C ATOM 73 C VAL A 6 -0.249 0.180 -1.270 1.00 0.00 C ATOM 74 O VAL A 6 -0.864 -0.855 -1.527 1.00 0.00 O ATOM 75 CB VAL A 6 -1.270 2.418 -2.295 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.825 1.639 -3.511 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.269 3.571 -2.037 1.00 0.00 C ATOM 78 H VAL A 6 0.177 3.166 -0.110 1.00 0.00 H ATOM 79 HA VAL A 6 -1.996 1.179 -0.666 1.00 0.00 H ATOM 80 HB VAL A 6 -0.301 2.864 -2.599 1.00 0.00 H ATOM 81 HG11 VAL A 6 -1.134 0.841 -3.846 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.792 1.148 -3.289 1.00 0.00 H ATOM 83 HG13 VAL A 6 -1.986 2.292 -4.391 1.00 0.00 H ATOM 84 HG21 VAL A 6 -2.393 4.224 -2.921 1.00 0.00 H ATOM 85 HG22 VAL A 6 -3.277 3.204 -1.760 1.00 0.00 H ATOM 86 HG23 VAL A 6 -1.938 4.230 -1.216 1.00 0.00 H ATOM 87 N TRP A 7 1.083 0.185 -1.073 1.00 0.00 N ATOM 88 CA TRP A 7 1.880 -1.071 -0.952 1.00 0.00 C ATOM 89 C TRP A 7 1.488 -2.049 0.219 1.00 0.00 C ATOM 90 O TRP A 7 1.593 -3.262 0.063 1.00 0.00 O ATOM 91 CB TRP A 7 3.379 -0.677 -0.948 1.00 0.00 C ATOM 92 CG TRP A 7 4.016 -0.179 0.370 1.00 0.00 C ATOM 93 CD1 TRP A 7 4.084 1.157 0.797 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.539 -0.922 1.424 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.708 1.278 2.051 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.959 -0.022 2.434 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.533 -2.317 1.675 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.398 -0.509 3.686 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.982 -2.781 2.912 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.417 -1.889 3.901 1.00 0.00 C ATOM 101 H TRP A 7 1.390 1.122 -0.757 1.00 0.00 H ATOM 102 HA TRP A 7 1.692 -1.656 -1.865 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.940 -1.565 -1.280 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.559 0.069 -1.747 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.536 1.962 0.332 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.718 2.119 2.645 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.076 -2.989 0.969 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.687 0.176 4.469 1.00 0.00 H ATOM 109 HZ3 TRP A 7 4.955 -3.840 3.123 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.741 -2.275 4.858 1.00 0.00 H ATOM 111 N GLY A 8 1.092 -1.514 1.385 1.00 0.00 N ATOM 112 CA GLY A 8 0.616 -2.331 2.550 1.00 0.00 C ATOM 113 C GLY A 8 -0.864 -2.765 2.552 1.00 0.00 C ATOM 114 O GLY A 8 -1.213 -3.821 3.073 1.00 0.00 O ATOM 115 H GLY A 8 0.816 -0.542 1.225 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.200 -3.253 2.596 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.825 -1.816 3.491 1.00 0.00 H ATOM 118 N PHE A 9 -1.723 -1.943 1.951 1.00 0.00 N ATOM 119 CA PHE A 9 -3.092 -2.357 1.499 1.00 0.00 C ATOM 120 C PHE A 9 -3.071 -3.652 0.590 1.00 0.00 C ATOM 121 O PHE A 9 -3.834 -4.602 0.766 1.00 0.00 O ATOM 122 CB PHE A 9 -3.656 -1.113 0.751 1.00 0.00 C ATOM 123 CG PHE A 9 -5.179 -1.072 0.612 1.00 0.00 C ATOM 124 CD1 PHE A 9 -5.806 -1.667 -0.487 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.954 -0.417 1.576 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.191 -1.612 -0.619 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.338 -0.359 1.440 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.955 -0.957 0.343 1.00 0.00 C ATOM 129 H PHE A 9 -1.250 -1.074 1.667 1.00 0.00 H ATOM 130 HA PHE A 9 -3.704 -2.588 2.385 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.319 -0.185 1.238 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.196 -1.034 -0.252 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.222 -2.185 -1.235 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.487 0.048 2.432 1.00 0.00 H ATOM 135 HE1 PHE A 9 -7.673 -2.081 -1.465 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.933 0.145 2.189 1.00 0.00 H ATOM 137 HZ PHE A 9 -9.030 -0.917 0.242 1.00 0.00 H ATOM 138 N LEU A 10 -2.128 -3.632 -0.358 1.00 0.00 N ATOM 139 CA LEU A 10 -1.725 -4.801 -1.186 1.00 0.00 C ATOM 140 C LEU A 10 -1.005 -5.968 -0.425 1.00 0.00 C ATOM 141 O LEU A 10 -1.303 -7.143 -0.657 1.00 0.00 O ATOM 142 CB LEU A 10 -0.824 -4.259 -2.339 1.00 0.00 C ATOM 143 CG LEU A 10 -1.528 -3.502 -3.495 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.482 -2.819 -4.390 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.394 -4.433 -4.361 1.00 0.00 C ATOM 146 H LEU A 10 -1.612 -2.747 -0.271 1.00 0.00 H ATOM 147 HA LEU A 10 -2.624 -5.267 -1.598 1.00 0.00 H ATOM 148 HB2 LEU A 10 -0.039 -3.613 -1.893 1.00 0.00 H ATOM 149 HB3 LEU A 10 -0.232 -5.091 -2.764 1.00 0.00 H ATOM 150 HG LEU A 10 -2.176 -2.711 -3.064 1.00 0.00 H ATOM 151 HD11 LEU A 10 0.124 -2.091 -3.822 1.00 0.00 H ATOM 152 HD12 LEU A 10 0.218 -3.546 -4.844 1.00 0.00 H ATOM 153 HD13 LEU A 10 -0.954 -2.256 -5.218 1.00 0.00 H ATOM 154 HD21 LEU A 10 -2.873 -3.889 -5.197 1.00 0.00 H ATOM 155 HD22 LEU A 10 -1.803 -5.258 -4.805 1.00 0.00 H ATOM 156 HD23 LEU A 10 -3.212 -4.895 -3.781 1.00 0.00 H ATOM 157 N HIS A 11 -0.050 -5.641 0.453 1.00 0.00 N ATOM 158 CA HIS A 11 0.776 -6.639 1.193 1.00 0.00 C ATOM 159 C HIS A 11 0.672 -6.403 2.748 1.00 0.00 C ATOM 160 O HIS A 11 1.539 -5.724 3.314 1.00 0.00 O ATOM 161 CB HIS A 11 2.242 -6.596 0.671 1.00 0.00 C ATOM 162 CG HIS A 11 2.459 -6.864 -0.819 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.267 -8.086 -1.424 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.756 -5.892 -1.788 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.435 -7.732 -2.737 1.00 0.00 C ATOM 166 NE2 HIS A 11 2.748 -6.438 -3.065 1.00 0.00 N ATOM 167 H HIS A 11 0.034 -4.619 0.542 1.00 0.00 H ATOM 168 HA HIS A 11 0.407 -7.665 1.003 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.668 -5.613 0.935 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.851 -7.320 1.242 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.884 -8.949 -1.029 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.906 -4.844 -1.575 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.292 -8.462 -3.524 1.00 0.00 H ATOM 174 N PRO A 12 -0.337 -6.954 3.489 1.00 0.00 N ATOM 175 CA PRO A 12 -0.499 -6.688 4.948 1.00 0.00 C ATOM 176 C PRO A 12 0.406 -7.563 5.880 1.00 0.00 C ATOM 177 O PRO A 12 0.010 -8.561 6.478 1.00 0.00 O ATOM 178 CB PRO A 12 -2.020 -6.901 5.108 1.00 0.00 C ATOM 179 CG PRO A 12 -2.388 -7.969 4.075 1.00 0.00 C ATOM 180 CD PRO A 12 -1.486 -7.655 2.882 1.00 0.00 C ATOM 181 HA PRO A 12 -0.287 -5.625 5.177 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.313 -7.186 6.137 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.554 -5.958 4.879 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.159 -8.978 4.471 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.462 -7.959 3.809 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.174 -8.570 2.344 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.995 -6.999 2.148 1.00 0.00 H HETATM 188 N NH2 A 13 1.663 -7.212 6.050 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.204 -7.899 6.581 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.006 -6.525 5.370 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 3 ATOM 1 N SER A 1 0.742 6.925 6.968 1.00 0.00 N ATOM 2 CA SER A 1 0.627 7.533 5.620 1.00 0.00 C ATOM 3 C SER A 1 -0.297 6.699 4.688 1.00 0.00 C ATOM 4 O SER A 1 0.072 5.611 4.239 1.00 0.00 O ATOM 5 CB SER A 1 2.046 7.704 5.037 1.00 0.00 C ATOM 6 OG SER A 1 1.989 8.331 3.754 1.00 0.00 O ATOM 7 H1 SER A 1 1.162 5.991 6.894 1.00 0.00 H ATOM 8 H2 SER A 1 -0.187 6.771 7.377 1.00 0.00 H ATOM 9 HA SER A 1 0.206 8.551 5.743 1.00 0.00 H ATOM 10 HB2 SER A 1 2.680 8.309 5.716 1.00 0.00 H ATOM 11 HB3 SER A 1 2.550 6.719 4.949 1.00 0.00 H ATOM 12 HG SER A 1 2.607 7.847 3.181 1.00 0.00 H ATOM 13 N ASP A 2 -1.485 7.229 4.360 1.00 0.00 N ATOM 14 CA ASP A 2 -2.458 6.547 3.441 1.00 0.00 C ATOM 15 C ASP A 2 -1.967 6.320 1.972 1.00 0.00 C ATOM 16 O ASP A 2 -2.027 5.210 1.441 1.00 0.00 O ATOM 17 CB ASP A 2 -3.803 7.319 3.490 1.00 0.00 C ATOM 18 CG ASP A 2 -4.589 7.165 4.787 1.00 0.00 C ATOM 19 OD1 ASP A 2 -4.524 7.958 5.719 1.00 0.00 O ATOM 20 OD2 ASP A 2 -5.361 6.047 4.795 1.00 0.00 O ATOM 21 H ASP A 2 -1.736 8.055 4.910 1.00 0.00 H ATOM 22 HA ASP A 2 -2.622 5.526 3.815 1.00 0.00 H ATOM 23 HB2 ASP A 2 -3.647 8.398 3.300 1.00 0.00 H ATOM 24 HB3 ASP A 2 -4.447 6.989 2.657 1.00 0.00 H ATOM 25 HD2 ASP A 2 -5.814 5.999 5.639 1.00 0.00 H ATOM 26 N MET A 3 -1.474 7.385 1.333 1.00 0.00 N ATOM 27 CA MET A 3 -0.848 7.318 -0.024 1.00 0.00 C ATOM 28 C MET A 3 0.424 6.410 -0.146 1.00 0.00 C ATOM 29 O MET A 3 0.571 5.670 -1.122 1.00 0.00 O ATOM 30 CB MET A 3 -0.674 8.760 -0.576 1.00 0.00 C ATOM 31 CG MET A 3 0.326 9.690 0.150 1.00 0.00 C ATOM 32 SD MET A 3 0.348 11.303 -0.653 1.00 0.00 S ATOM 33 CE MET A 3 1.593 12.109 0.365 1.00 0.00 C ATOM 34 H MET A 3 -1.364 8.156 1.994 1.00 0.00 H ATOM 35 HA MET A 3 -1.575 6.811 -0.677 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.376 8.691 -1.640 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.665 9.256 -0.605 1.00 0.00 H ATOM 38 HG2 MET A 3 0.059 9.820 1.215 1.00 0.00 H ATOM 39 HG3 MET A 3 1.347 9.267 0.130 1.00 0.00 H ATOM 40 HE1 MET A 3 2.558 11.574 0.304 1.00 0.00 H ATOM 41 HE2 MET A 3 1.754 13.149 0.028 1.00 0.00 H ATOM 42 HE3 MET A 3 1.278 12.137 1.425 1.00 0.00 H ATOM 43 N THR A 4 1.305 6.437 0.862 1.00 0.00 N ATOM 44 CA THR A 4 2.483 5.505 0.948 1.00 0.00 C ATOM 45 C THR A 4 2.296 4.282 1.913 1.00 0.00 C ATOM 46 O THR A 4 3.226 3.821 2.570 1.00 0.00 O ATOM 47 CB THR A 4 3.815 6.295 1.144 1.00 0.00 C ATOM 48 OG1 THR A 4 3.829 7.046 2.352 1.00 0.00 O ATOM 49 CG2 THR A 4 4.131 7.270 0.002 1.00 0.00 C ATOM 50 H THR A 4 0.926 6.969 1.650 1.00 0.00 H ATOM 51 HA THR A 4 2.588 4.951 -0.017 1.00 0.00 H ATOM 52 HB THR A 4 4.639 5.553 1.185 1.00 0.00 H ATOM 53 HG1 THR A 4 4.728 7.378 2.437 1.00 0.00 H ATOM 54 HG21 THR A 4 3.378 8.078 -0.052 1.00 0.00 H ATOM 55 HG22 THR A 4 4.114 6.756 -0.978 1.00 0.00 H ATOM 56 HG23 THR A 4 5.120 7.742 0.120 1.00 0.00 H ATOM 57 N THR A 5 1.077 3.734 1.902 1.00 0.00 N ATOM 58 CA THR A 5 0.750 2.327 2.277 1.00 0.00 C ATOM 59 C THR A 5 -0.339 1.749 1.295 1.00 0.00 C ATOM 60 O THR A 5 -0.980 0.744 1.601 1.00 0.00 O ATOM 61 CB THR A 5 0.531 1.997 3.780 1.00 0.00 C ATOM 62 OG1 THR A 5 -0.243 2.979 4.454 1.00 0.00 O ATOM 63 CG2 THR A 5 1.830 1.730 4.554 1.00 0.00 C ATOM 64 H THR A 5 0.379 4.331 1.446 1.00 0.00 H ATOM 65 HA THR A 5 1.600 1.684 1.975 1.00 0.00 H ATOM 66 HB THR A 5 -0.009 1.035 3.819 1.00 0.00 H ATOM 67 HG1 THR A 5 0.159 3.841 4.266 1.00 0.00 H ATOM 68 HG21 THR A 5 2.474 2.622 4.626 1.00 0.00 H ATOM 69 HG22 THR A 5 2.433 0.936 4.066 1.00 0.00 H ATOM 70 HG23 THR A 5 1.625 1.375 5.578 1.00 0.00 H ATOM 71 N VAL A 6 -0.444 2.249 0.035 1.00 0.00 N ATOM 72 CA VAL A 6 -1.080 1.479 -1.092 1.00 0.00 C ATOM 73 C VAL A 6 -0.289 0.138 -1.364 1.00 0.00 C ATOM 74 O VAL A 6 -0.885 -0.890 -1.689 1.00 0.00 O ATOM 75 CB VAL A 6 -1.316 2.397 -2.342 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.937 1.655 -3.549 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.243 3.604 -2.054 1.00 0.00 C ATOM 78 H VAL A 6 0.005 3.164 -0.106 1.00 0.00 H ATOM 79 HA VAL A 6 -2.049 1.106 -0.744 1.00 0.00 H ATOM 80 HB VAL A 6 -0.332 2.795 -2.664 1.00 0.00 H ATOM 81 HG11 VAL A 6 -2.923 1.214 -3.305 1.00 0.00 H ATOM 82 HG12 VAL A 6 -1.295 0.825 -3.901 1.00 0.00 H ATOM 83 HG13 VAL A 6 -2.083 2.320 -4.421 1.00 0.00 H ATOM 84 HG21 VAL A 6 -2.363 4.259 -2.937 1.00 0.00 H ATOM 85 HG22 VAL A 6 -3.255 3.286 -1.739 1.00 0.00 H ATOM 86 HG23 VAL A 6 -1.849 4.247 -1.246 1.00 0.00 H ATOM 87 N TRP A 7 1.037 0.145 -1.132 1.00 0.00 N ATOM 88 CA TRP A 7 1.845 -1.100 -1.017 1.00 0.00 C ATOM 89 C TRP A 7 1.460 -2.087 0.148 1.00 0.00 C ATOM 90 O TRP A 7 1.563 -3.299 -0.019 1.00 0.00 O ATOM 91 CB TRP A 7 3.338 -0.679 -0.996 1.00 0.00 C ATOM 92 CG TRP A 7 3.944 -0.118 0.312 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.999 1.239 0.670 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.468 -0.803 1.404 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.618 1.429 1.918 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.877 0.152 2.366 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.471 -2.182 1.729 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.314 -0.264 3.645 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.918 -2.576 2.990 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.343 -1.631 3.932 1.00 0.00 C ATOM 101 H TRP A 7 1.329 1.073 -0.783 1.00 0.00 H ATOM 102 HA TRP A 7 1.672 -1.683 -1.934 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.927 -1.565 -1.286 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.519 0.043 -1.817 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.447 2.015 0.162 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.565 2.282 2.493 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.018 -2.894 1.061 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.594 0.463 4.392 1.00 0.00 H ATOM 109 HZ3 TRP A 7 4.899 -3.624 3.256 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.666 -1.963 4.909 1.00 0.00 H ATOM 111 N GLY A 8 1.070 -1.562 1.321 1.00 0.00 N ATOM 112 CA GLY A 8 0.619 -2.384 2.493 1.00 0.00 C ATOM 113 C GLY A 8 -0.859 -2.823 2.539 1.00 0.00 C ATOM 114 O GLY A 8 -1.196 -3.851 3.122 1.00 0.00 O ATOM 115 H GLY A 8 0.815 -0.581 1.176 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.204 -3.308 2.517 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.859 -1.876 3.429 1.00 0.00 H ATOM 118 N PHE A 9 -1.734 -2.038 1.913 1.00 0.00 N ATOM 119 CA PHE A 9 -3.092 -2.500 1.471 1.00 0.00 C ATOM 120 C PHE A 9 -3.035 -3.834 0.626 1.00 0.00 C ATOM 121 O PHE A 9 -3.745 -4.811 0.863 1.00 0.00 O ATOM 122 CB PHE A 9 -3.639 -1.298 0.647 1.00 0.00 C ATOM 123 CG PHE A 9 -5.092 -1.415 0.180 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.143 -1.057 1.029 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.377 -1.890 -1.105 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.462 -1.179 0.600 1.00 0.00 C ATOM 127 CE2 PHE A 9 -6.696 -2.013 -1.533 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.737 -1.658 -0.679 1.00 0.00 C ATOM 129 H PHE A 9 -1.272 -1.180 1.584 1.00 0.00 H ATOM 130 HA PHE A 9 -3.725 -2.689 2.352 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.504 -0.369 1.217 1.00 0.00 H ATOM 132 HB3 PHE A 9 -2.997 -1.127 -0.237 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.940 -0.694 2.027 1.00 0.00 H ATOM 134 HD2 PHE A 9 -4.576 -2.184 -1.771 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.274 -0.909 1.261 1.00 0.00 H ATOM 136 HE2 PHE A 9 -6.911 -2.392 -2.521 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.761 -1.760 -1.009 1.00 0.00 H ATOM 138 N LEU A 10 -2.117 -3.803 -0.345 1.00 0.00 N ATOM 139 CA LEU A 10 -1.685 -4.976 -1.152 1.00 0.00 C ATOM 140 C LEU A 10 -0.951 -6.108 -0.349 1.00 0.00 C ATOM 141 O LEU A 10 -1.265 -7.293 -0.487 1.00 0.00 O ATOM 142 CB LEU A 10 -0.799 -4.407 -2.310 1.00 0.00 C ATOM 143 CG LEU A 10 -0.860 -5.082 -3.705 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.481 -6.570 -3.692 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.227 -4.893 -4.383 1.00 0.00 C ATOM 146 H LEU A 10 -1.666 -2.878 -0.308 1.00 0.00 H ATOM 147 HA LEU A 10 -2.583 -5.447 -1.565 1.00 0.00 H ATOM 148 HB2 LEU A 10 -1.006 -3.335 -2.463 1.00 0.00 H ATOM 149 HB3 LEU A 10 0.253 -4.369 -1.967 1.00 0.00 H ATOM 150 HG LEU A 10 -0.108 -4.567 -4.338 1.00 0.00 H ATOM 151 HD11 LEU A 10 -0.394 -6.983 -4.713 1.00 0.00 H ATOM 152 HD12 LEU A 10 0.493 -6.735 -3.194 1.00 0.00 H ATOM 153 HD13 LEU A 10 -1.223 -7.188 -3.153 1.00 0.00 H ATOM 154 HD21 LEU A 10 -2.511 -3.825 -4.439 1.00 0.00 H ATOM 155 HD22 LEU A 10 -3.039 -5.419 -3.848 1.00 0.00 H ATOM 156 HD23 LEU A 10 -2.224 -5.277 -5.420 1.00 0.00 H ATOM 157 N HIS A 11 0.028 -5.719 0.478 1.00 0.00 N ATOM 158 CA HIS A 11 0.854 -6.660 1.290 1.00 0.00 C ATOM 159 C HIS A 11 0.641 -6.418 2.835 1.00 0.00 C ATOM 160 O HIS A 11 1.430 -5.682 3.443 1.00 0.00 O ATOM 161 CB HIS A 11 2.347 -6.531 0.876 1.00 0.00 C ATOM 162 CG HIS A 11 2.711 -6.881 -0.565 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.759 -8.166 -1.061 1.00 0.00 N ATOM 164 CD2 HIS A 11 3.069 -5.968 -1.569 1.00 0.00 C ATOM 165 CE1 HIS A 11 3.137 -7.910 -2.352 1.00 0.00 C ATOM 166 NE2 HIS A 11 3.358 -6.620 -2.759 1.00 0.00 N ATOM 167 H HIS A 11 0.106 -4.690 0.471 1.00 0.00 H ATOM 168 HA HIS A 11 0.562 -7.708 1.087 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.675 -5.502 1.103 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.963 -7.164 1.541 1.00 0.00 H ATOM 171 HD1 HIS A 11 2.505 -9.050 -0.612 1.00 0.00 H ATOM 172 HD2 HIS A 11 3.107 -4.896 -1.434 1.00 0.00 H ATOM 173 HE1 HIS A 11 3.251 -8.720 -3.062 1.00 0.00 H ATOM 174 N PRO A 12 -0.367 -7.030 3.525 1.00 0.00 N ATOM 175 CA PRO A 12 -0.630 -6.763 4.969 1.00 0.00 C ATOM 176 C PRO A 12 0.283 -7.561 5.962 1.00 0.00 C ATOM 177 O PRO A 12 -0.068 -8.585 6.544 1.00 0.00 O ATOM 178 CB PRO A 12 -2.137 -7.087 5.051 1.00 0.00 C ATOM 179 CG PRO A 12 -2.369 -8.187 4.012 1.00 0.00 C ATOM 180 CD PRO A 12 -1.429 -7.815 2.866 1.00 0.00 C ATOM 181 HA PRO A 12 -0.508 -5.684 5.196 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.465 -7.383 6.065 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.726 -6.187 4.782 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.087 -9.173 4.431 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.424 -8.257 3.687 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.024 -8.706 2.350 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.941 -7.198 2.102 1.00 0.00 H HETATM 188 N NH2 A 13 1.496 -7.112 6.204 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.057 -7.752 6.771 1.00 0.00 H HETATM 190 HN2 NH2 A 13 1.825 -6.404 5.537 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 4 ATOM 1 N SER A 1 0.033 7.603 6.949 1.00 0.00 N ATOM 2 CA SER A 1 0.554 7.690 5.557 1.00 0.00 C ATOM 3 C SER A 1 -0.583 7.690 4.492 1.00 0.00 C ATOM 4 O SER A 1 -0.794 8.708 3.830 1.00 0.00 O ATOM 5 CB SER A 1 1.639 6.610 5.334 1.00 0.00 C ATOM 6 OG SER A 1 2.781 6.843 6.158 1.00 0.00 O ATOM 7 H1 SER A 1 -0.659 8.340 7.124 1.00 0.00 H ATOM 8 H2 SER A 1 0.787 7.777 7.624 1.00 0.00 H ATOM 9 HA SER A 1 1.060 8.670 5.453 1.00 0.00 H ATOM 10 HB2 SER A 1 1.239 5.594 5.522 1.00 0.00 H ATOM 11 HB3 SER A 1 1.964 6.606 4.276 1.00 0.00 H ATOM 12 HG SER A 1 2.510 6.668 7.064 1.00 0.00 H ATOM 13 N ASP A 2 -1.332 6.581 4.321 1.00 0.00 N ATOM 14 CA ASP A 2 -2.447 6.442 3.321 1.00 0.00 C ATOM 15 C ASP A 2 -1.937 6.256 1.856 1.00 0.00 C ATOM 16 O ASP A 2 -1.965 5.151 1.311 1.00 0.00 O ATOM 17 CB ASP A 2 -3.599 7.484 3.477 1.00 0.00 C ATOM 18 CG ASP A 2 -4.274 7.528 4.842 1.00 0.00 C ATOM 19 OD1 ASP A 2 -5.292 6.903 5.115 1.00 0.00 O ATOM 20 OD2 ASP A 2 -3.610 8.344 5.710 1.00 0.00 O ATOM 21 H ASP A 2 -1.060 5.820 4.954 1.00 0.00 H ATOM 22 HA ASP A 2 -2.892 5.463 3.530 1.00 0.00 H ATOM 23 HB2 ASP A 2 -3.256 8.498 3.212 1.00 0.00 H ATOM 24 HB3 ASP A 2 -4.389 7.260 2.737 1.00 0.00 H ATOM 25 HD2 ASP A 2 -2.819 8.685 5.292 1.00 0.00 H ATOM 26 N MET A 3 -1.444 7.336 1.242 1.00 0.00 N ATOM 27 CA MET A 3 -0.790 7.292 -0.107 1.00 0.00 C ATOM 28 C MET A 3 0.476 6.371 -0.200 1.00 0.00 C ATOM 29 O MET A 3 0.613 5.570 -1.128 1.00 0.00 O ATOM 30 CB MET A 3 -0.586 8.743 -0.628 1.00 0.00 C ATOM 31 CG MET A 3 0.375 9.668 0.158 1.00 0.00 C ATOM 32 SD MET A 3 0.488 11.282 -0.638 1.00 0.00 S ATOM 33 CE MET A 3 1.820 10.975 -1.813 1.00 0.00 C ATOM 34 H MET A 3 -1.285 8.074 1.935 1.00 0.00 H ATOM 35 HA MET A 3 -1.506 6.811 -0.787 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.237 8.685 -1.678 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.573 9.239 -0.700 1.00 0.00 H ATOM 38 HG2 MET A 3 0.015 9.820 1.193 1.00 0.00 H ATOM 39 HG3 MET A 3 1.386 9.230 0.250 1.00 0.00 H ATOM 40 HE1 MET A 3 2.750 10.693 -1.287 1.00 0.00 H ATOM 41 HE2 MET A 3 1.554 10.158 -2.508 1.00 0.00 H ATOM 42 HE3 MET A 3 2.024 11.880 -2.411 1.00 0.00 H ATOM 43 N THR A 4 1.346 6.446 0.810 1.00 0.00 N ATOM 44 CA THR A 4 2.510 5.511 0.981 1.00 0.00 C ATOM 45 C THR A 4 2.248 4.334 1.983 1.00 0.00 C ATOM 46 O THR A 4 3.073 3.915 2.797 1.00 0.00 O ATOM 47 CB THR A 4 3.816 6.312 1.254 1.00 0.00 C ATOM 48 OG1 THR A 4 3.688 7.147 2.400 1.00 0.00 O ATOM 49 CG2 THR A 4 4.227 7.200 0.073 1.00 0.00 C ATOM 50 H THR A 4 0.994 7.070 1.539 1.00 0.00 H ATOM 51 HA THR A 4 2.666 4.933 0.038 1.00 0.00 H ATOM 52 HB THR A 4 4.638 5.588 1.435 1.00 0.00 H ATOM 53 HG1 THR A 4 4.509 7.639 2.471 1.00 0.00 H ATOM 54 HG21 THR A 4 3.466 7.980 -0.119 1.00 0.00 H ATOM 55 HG22 THR A 4 5.191 7.704 0.250 1.00 0.00 H ATOM 56 HG23 THR A 4 4.313 6.607 -0.857 1.00 0.00 H ATOM 57 N THR A 5 1.054 3.767 1.843 1.00 0.00 N ATOM 58 CA THR A 5 0.672 2.405 2.313 1.00 0.00 C ATOM 59 C THR A 5 -0.364 1.761 1.316 1.00 0.00 C ATOM 60 O THR A 5 -0.957 0.729 1.631 1.00 0.00 O ATOM 61 CB THR A 5 0.305 2.308 3.811 1.00 0.00 C ATOM 62 OG1 THR A 5 1.040 3.218 4.623 1.00 0.00 O ATOM 63 CG2 THR A 5 0.569 0.911 4.406 1.00 0.00 C ATOM 64 H THR A 5 0.370 4.410 1.420 1.00 0.00 H ATOM 65 HA THR A 5 1.529 1.720 2.178 1.00 0.00 H ATOM 66 HB THR A 5 -0.758 2.552 3.847 1.00 0.00 H ATOM 67 HG1 THR A 5 1.883 3.358 4.170 1.00 0.00 H ATOM 68 HG21 THR A 5 0.348 0.874 5.487 1.00 0.00 H ATOM 69 HG22 THR A 5 -0.051 0.131 3.928 1.00 0.00 H ATOM 70 HG23 THR A 5 1.626 0.599 4.285 1.00 0.00 H ATOM 71 N VAL A 6 -0.503 2.256 0.056 1.00 0.00 N ATOM 72 CA VAL A 6 -1.111 1.458 -1.067 1.00 0.00 C ATOM 73 C VAL A 6 -0.291 0.130 -1.323 1.00 0.00 C ATOM 74 O VAL A 6 -0.859 -0.906 -1.672 1.00 0.00 O ATOM 75 CB VAL A 6 -1.341 2.357 -2.333 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.947 1.594 -3.535 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.277 3.565 -2.074 1.00 0.00 C ATOM 78 H VAL A 6 -0.025 3.157 -0.103 1.00 0.00 H ATOM 79 HA VAL A 6 -2.085 1.085 -0.728 1.00 0.00 H ATOM 80 HB VAL A 6 -0.357 2.755 -2.652 1.00 0.00 H ATOM 81 HG11 VAL A 6 -2.089 2.246 -4.417 1.00 0.00 H ATOM 82 HG12 VAL A 6 -1.299 0.762 -3.869 1.00 0.00 H ATOM 83 HG13 VAL A 6 -2.933 1.152 -3.294 1.00 0.00 H ATOM 84 HG21 VAL A 6 -1.889 4.228 -1.279 1.00 0.00 H ATOM 85 HG22 VAL A 6 -2.397 4.200 -2.973 1.00 0.00 H ATOM 86 HG23 VAL A 6 -3.289 3.249 -1.758 1.00 0.00 H ATOM 87 N TRP A 7 1.027 0.161 -1.050 1.00 0.00 N ATOM 88 CA TRP A 7 1.867 -1.063 -0.952 1.00 0.00 C ATOM 89 C TRP A 7 1.492 -2.085 0.184 1.00 0.00 C ATOM 90 O TRP A 7 1.637 -3.291 -0.002 1.00 0.00 O ATOM 91 CB TRP A 7 3.344 -0.590 -0.889 1.00 0.00 C ATOM 92 CG TRP A 7 3.898 -0.074 0.460 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.821 1.248 0.946 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.438 -0.813 1.507 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.379 1.366 2.231 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.730 0.075 2.571 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.531 -2.216 1.707 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.148 -0.426 3.824 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.958 -2.691 2.947 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.272 -1.808 3.988 1.00 0.00 C ATOM 101 H TRP A 7 1.266 1.062 -0.597 1.00 0.00 H ATOM 102 HA TRP A 7 1.729 -1.629 -1.887 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.966 -1.442 -1.208 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.518 0.174 -1.672 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.187 2.017 0.519 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.334 2.187 2.853 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.159 -2.898 0.959 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.340 0.246 4.648 1.00 0.00 H ATOM 109 HZ3 TRP A 7 5.007 -3.756 3.119 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.580 -2.205 4.945 1.00 0.00 H ATOM 111 N GLY A 8 1.072 -1.588 1.358 1.00 0.00 N ATOM 112 CA GLY A 8 0.632 -2.438 2.509 1.00 0.00 C ATOM 113 C GLY A 8 -0.846 -2.875 2.556 1.00 0.00 C ATOM 114 O GLY A 8 -1.180 -3.919 3.111 1.00 0.00 O ATOM 115 H GLY A 8 0.795 -0.611 1.229 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.226 -3.353 2.506 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.885 -1.963 3.456 1.00 0.00 H ATOM 118 N PHE A 9 -1.726 -2.070 1.961 1.00 0.00 N ATOM 119 CA PHE A 9 -3.092 -2.514 1.527 1.00 0.00 C ATOM 120 C PHE A 9 -3.056 -3.828 0.647 1.00 0.00 C ATOM 121 O PHE A 9 -3.777 -4.802 0.866 1.00 0.00 O ATOM 122 CB PHE A 9 -3.655 -1.291 0.745 1.00 0.00 C ATOM 123 CG PHE A 9 -5.144 -1.361 0.396 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.106 -0.931 1.314 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.551 -1.854 -0.849 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.460 -0.998 0.993 1.00 0.00 C ATOM 127 CE2 PHE A 9 -6.904 -1.922 -1.167 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.857 -1.494 -0.246 1.00 0.00 C ATOM 129 H PHE A 9 -1.268 -1.197 1.662 1.00 0.00 H ATOM 130 HA PHE A 9 -3.707 -2.725 2.416 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.449 -0.365 1.300 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.073 -1.141 -0.186 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.807 -0.550 2.281 1.00 0.00 H ATOM 134 HD2 PHE A 9 -4.820 -2.202 -1.565 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.202 -0.671 1.707 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.215 -2.315 -2.125 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.908 -1.552 -0.492 1.00 0.00 H ATOM 138 N LEU A 10 -2.144 -3.787 -0.328 1.00 0.00 N ATOM 139 CA LEU A 10 -1.725 -4.947 -1.160 1.00 0.00 C ATOM 140 C LEU A 10 -0.972 -6.090 -0.397 1.00 0.00 C ATOM 141 O LEU A 10 -1.271 -7.275 -0.566 1.00 0.00 O ATOM 142 CB LEU A 10 -0.834 -4.348 -2.288 1.00 0.00 C ATOM 143 CG LEU A 10 -0.625 -5.208 -3.560 1.00 0.00 C ATOM 144 CD1 LEU A 10 -1.923 -5.411 -4.361 1.00 0.00 C ATOM 145 CD2 LEU A 10 0.418 -4.542 -4.473 1.00 0.00 C ATOM 146 H LEU A 10 -1.672 -2.874 -0.271 1.00 0.00 H ATOM 147 HA LEU A 10 -2.624 -5.405 -1.584 1.00 0.00 H ATOM 148 HB2 LEU A 10 -1.206 -3.355 -2.572 1.00 0.00 H ATOM 149 HB3 LEU A 10 0.157 -4.105 -1.856 1.00 0.00 H ATOM 150 HG LEU A 10 -0.231 -6.201 -3.259 1.00 0.00 H ATOM 151 HD11 LEU A 10 -2.681 -5.972 -3.785 1.00 0.00 H ATOM 152 HD12 LEU A 10 -2.383 -4.450 -4.661 1.00 0.00 H ATOM 153 HD13 LEU A 10 -1.747 -5.992 -5.286 1.00 0.00 H ATOM 154 HD21 LEU A 10 0.630 -5.156 -5.368 1.00 0.00 H ATOM 155 HD22 LEU A 10 0.094 -3.545 -4.825 1.00 0.00 H ATOM 156 HD23 LEU A 10 1.385 -4.408 -3.954 1.00 0.00 H ATOM 157 N HIS A 11 0.012 -5.704 0.423 1.00 0.00 N ATOM 158 CA HIS A 11 0.872 -6.654 1.190 1.00 0.00 C ATOM 159 C HIS A 11 0.728 -6.437 2.745 1.00 0.00 C ATOM 160 O HIS A 11 1.553 -5.725 3.333 1.00 0.00 O ATOM 161 CB HIS A 11 2.346 -6.540 0.706 1.00 0.00 C ATOM 162 CG HIS A 11 2.630 -6.813 -0.770 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.409 -8.020 -1.395 1.00 0.00 N ATOM 164 CD2 HIS A 11 3.114 -5.877 -1.697 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.763 -7.696 -2.678 1.00 0.00 C ATOM 166 NE2 HIS A 11 3.218 -6.435 -2.965 1.00 0.00 N ATOM 167 H HIS A 11 0.102 -4.673 0.387 1.00 0.00 H ATOM 168 HA HIS A 11 0.564 -7.698 0.991 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.711 -5.533 0.973 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.975 -7.225 1.301 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.937 -8.857 -1.042 1.00 0.00 H ATOM 172 HD2 HIS A 11 3.343 -4.848 -1.461 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.661 -8.420 -3.476 1.00 0.00 H ATOM 174 N PRO A 12 -0.262 -7.046 3.466 1.00 0.00 N ATOM 175 CA PRO A 12 -0.460 -6.802 4.925 1.00 0.00 C ATOM 176 C PRO A 12 0.477 -7.635 5.864 1.00 0.00 C ATOM 177 O PRO A 12 0.128 -8.660 6.445 1.00 0.00 O ATOM 178 CB PRO A 12 -1.968 -7.098 5.061 1.00 0.00 C ATOM 179 CG PRO A 12 -2.263 -8.176 4.014 1.00 0.00 C ATOM 180 CD PRO A 12 -1.362 -7.803 2.839 1.00 0.00 C ATOM 181 HA PRO A 12 -0.308 -5.730 5.166 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.261 -7.405 6.083 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.550 -6.182 4.830 1.00 0.00 H ATOM 184 HG2 PRO A 12 -1.985 -9.174 4.407 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.332 -8.221 3.731 1.00 0.00 H ATOM 186 HD2 PRO A 12 -0.994 -8.694 2.296 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.894 -7.168 2.103 1.00 0.00 H HETATM 188 N NH2 A 13 1.709 -7.216 6.059 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.025 -6.506 5.389 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.279 -7.878 6.592 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 5 ATOM 1 N SER A 1 -7.679 7.292 3.108 1.00 0.00 N ATOM 2 CA SER A 1 -7.216 5.987 3.647 1.00 0.00 C ATOM 3 C SER A 1 -5.671 5.793 3.578 1.00 0.00 C ATOM 4 O SER A 1 -5.025 5.653 4.618 1.00 0.00 O ATOM 5 CB SER A 1 -8.032 4.857 2.972 1.00 0.00 C ATOM 6 OG SER A 1 -7.664 3.579 3.495 1.00 0.00 O ATOM 7 H1 SER A 1 -7.237 8.067 3.616 1.00 0.00 H ATOM 8 H2 SER A 1 -8.688 7.404 3.259 1.00 0.00 H ATOM 9 HA SER A 1 -7.474 5.964 4.724 1.00 0.00 H ATOM 10 HB2 SER A 1 -9.118 5.010 3.131 1.00 0.00 H ATOM 11 HB3 SER A 1 -7.889 4.863 1.872 1.00 0.00 H ATOM 12 HG SER A 1 -6.708 3.485 3.381 1.00 0.00 H ATOM 13 N ASP A 2 -5.078 5.738 2.374 1.00 0.00 N ATOM 14 CA ASP A 2 -3.620 5.478 2.192 1.00 0.00 C ATOM 15 C ASP A 2 -3.044 6.072 0.868 1.00 0.00 C ATOM 16 O ASP A 2 -3.697 6.179 -0.171 1.00 0.00 O ATOM 17 CB ASP A 2 -3.266 3.972 2.368 1.00 0.00 C ATOM 18 CG ASP A 2 -4.110 2.919 1.646 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.825 2.450 0.554 1.00 0.00 O ATOM 20 OD2 ASP A 2 -5.208 2.546 2.357 1.00 0.00 O ATOM 21 H ASP A 2 -5.707 5.941 1.589 1.00 0.00 H ATOM 22 HA ASP A 2 -3.078 5.997 3.012 1.00 0.00 H ATOM 23 HB2 ASP A 2 -2.217 3.796 2.076 1.00 0.00 H ATOM 24 HB3 ASP A 2 -3.254 3.765 3.447 1.00 0.00 H ATOM 25 HD2 ASP A 2 -5.663 1.868 1.848 1.00 0.00 H ATOM 26 N MET A 3 -1.762 6.441 0.961 1.00 0.00 N ATOM 27 CA MET A 3 -0.952 6.964 -0.181 1.00 0.00 C ATOM 28 C MET A 3 0.383 6.163 -0.247 1.00 0.00 C ATOM 29 O MET A 3 0.572 5.296 -1.103 1.00 0.00 O ATOM 30 CB MET A 3 -0.892 8.521 -0.186 1.00 0.00 C ATOM 31 CG MET A 3 -0.284 9.261 1.030 1.00 0.00 C ATOM 32 SD MET A 3 -0.467 11.044 0.826 1.00 0.00 S ATOM 33 CE MET A 3 1.021 11.423 -0.118 1.00 0.00 C ATOM 34 H MET A 3 -1.358 6.168 1.864 1.00 0.00 H ATOM 35 HA MET A 3 -1.439 6.690 -1.125 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.361 8.845 -1.101 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.926 8.894 -0.331 1.00 0.00 H ATOM 38 HG2 MET A 3 -0.803 8.971 1.963 1.00 0.00 H ATOM 39 HG3 MET A 3 0.785 9.021 1.178 1.00 0.00 H ATOM 40 HE1 MET A 3 1.928 11.143 0.449 1.00 0.00 H ATOM 41 HE2 MET A 3 1.073 12.505 -0.336 1.00 0.00 H ATOM 42 HE3 MET A 3 1.029 10.879 -1.078 1.00 0.00 H ATOM 43 N THR A 4 1.260 6.383 0.732 1.00 0.00 N ATOM 44 CA THR A 4 2.508 5.563 0.938 1.00 0.00 C ATOM 45 C THR A 4 2.353 4.331 1.897 1.00 0.00 C ATOM 46 O THR A 4 3.295 3.831 2.513 1.00 0.00 O ATOM 47 CB THR A 4 3.706 6.492 1.293 1.00 0.00 C ATOM 48 OG1 THR A 4 3.448 7.245 2.473 1.00 0.00 O ATOM 49 CG2 THR A 4 4.056 7.486 0.178 1.00 0.00 C ATOM 50 H THR A 4 0.930 7.124 1.351 1.00 0.00 H ATOM 51 HA THR A 4 2.750 5.020 -0.008 1.00 0.00 H ATOM 52 HB THR A 4 4.599 5.856 1.468 1.00 0.00 H ATOM 53 HG1 THR A 4 4.201 7.831 2.588 1.00 0.00 H ATOM 54 HG21 THR A 4 4.957 8.075 0.419 1.00 0.00 H ATOM 55 HG22 THR A 4 3.226 8.196 0.000 1.00 0.00 H ATOM 56 HG23 THR A 4 4.238 6.961 -0.779 1.00 0.00 H ATOM 57 N THR A 5 1.130 3.811 1.965 1.00 0.00 N ATOM 58 CA THR A 5 0.822 2.415 2.378 1.00 0.00 C ATOM 59 C THR A 5 -0.252 1.809 1.399 1.00 0.00 C ATOM 60 O THR A 5 -0.886 0.811 1.734 1.00 0.00 O ATOM 61 CB THR A 5 0.559 2.258 3.891 1.00 0.00 C ATOM 62 OG1 THR A 5 1.394 3.100 4.681 1.00 0.00 O ATOM 63 CG2 THR A 5 0.795 0.830 4.413 1.00 0.00 C ATOM 64 H THR A 5 0.418 4.439 1.570 1.00 0.00 H ATOM 65 HA THR A 5 1.680 1.747 2.169 1.00 0.00 H ATOM 66 HB THR A 5 -0.487 2.544 4.019 1.00 0.00 H ATOM 67 HG1 THR A 5 2.190 3.258 4.159 1.00 0.00 H ATOM 68 HG21 THR A 5 0.676 0.769 5.510 1.00 0.00 H ATOM 69 HG22 THR A 5 1.815 0.462 4.181 1.00 0.00 H ATOM 70 HG23 THR A 5 0.081 0.109 3.977 1.00 0.00 H ATOM 71 N VAL A 6 -0.392 2.312 0.139 1.00 0.00 N ATOM 72 CA VAL A 6 -1.018 1.525 -0.982 1.00 0.00 C ATOM 73 C VAL A 6 -0.228 0.182 -1.212 1.00 0.00 C ATOM 74 O VAL A 6 -0.827 -0.852 -1.510 1.00 0.00 O ATOM 75 CB VAL A 6 -1.206 2.407 -2.267 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.727 1.629 -3.501 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.193 3.580 -2.064 1.00 0.00 C ATOM 78 H VAL A 6 0.139 3.176 -0.046 1.00 0.00 H ATOM 79 HA VAL A 6 -2.002 1.176 -0.652 1.00 0.00 H ATOM 80 HB VAL A 6 -0.219 2.835 -2.536 1.00 0.00 H ATOM 81 HG11 VAL A 6 -1.849 2.281 -4.387 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.708 1.154 -3.309 1.00 0.00 H ATOM 83 HG13 VAL A 6 -1.036 0.821 -3.807 1.00 0.00 H ATOM 84 HG21 VAL A 6 -1.911 4.215 -1.207 1.00 0.00 H ATOM 85 HG22 VAL A 6 -2.236 4.249 -2.944 1.00 0.00 H ATOM 86 HG23 VAL A 6 -3.225 3.233 -1.869 1.00 0.00 H ATOM 87 N TRP A 7 1.098 0.193 -0.971 1.00 0.00 N ATOM 88 CA TRP A 7 1.904 -1.056 -0.886 1.00 0.00 C ATOM 89 C TRP A 7 1.508 -2.072 0.248 1.00 0.00 C ATOM 90 O TRP A 7 1.591 -3.280 0.045 1.00 0.00 O ATOM 91 CB TRP A 7 3.397 -0.643 -0.862 1.00 0.00 C ATOM 92 CG TRP A 7 4.012 -0.204 0.488 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.993 1.092 1.039 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.538 -1.016 1.485 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.564 1.123 2.325 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.875 -0.197 2.591 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.574 -2.430 1.610 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.288 -0.780 3.810 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.996 -2.987 2.818 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.358 -2.173 3.899 1.00 0.00 C ATOM 101 H TRP A 7 1.354 1.098 -0.528 1.00 0.00 H ATOM 102 HA TRP A 7 1.728 -1.613 -1.819 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.967 -1.513 -1.231 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.577 0.136 -1.628 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.400 1.911 0.650 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.588 1.918 2.976 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.160 -3.054 0.831 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.513 -0.161 4.666 1.00 0.00 H ATOM 109 HZ3 TRP A 7 5.001 -4.061 2.934 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.659 -2.631 4.830 1.00 0.00 H ATOM 111 N GLY A 8 1.139 -1.572 1.437 1.00 0.00 N ATOM 112 CA GLY A 8 0.673 -2.421 2.579 1.00 0.00 C ATOM 113 C GLY A 8 -0.811 -2.838 2.590 1.00 0.00 C ATOM 114 O GLY A 8 -1.170 -3.905 3.080 1.00 0.00 O ATOM 115 H GLY A 8 0.906 -0.582 1.324 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.261 -3.339 2.579 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.914 -1.955 3.536 1.00 0.00 H ATOM 118 N PHE A 9 -1.667 -1.981 2.033 1.00 0.00 N ATOM 119 CA PHE A 9 -3.047 -2.355 1.585 1.00 0.00 C ATOM 120 C PHE A 9 -3.067 -3.607 0.620 1.00 0.00 C ATOM 121 O PHE A 9 -3.850 -4.546 0.766 1.00 0.00 O ATOM 122 CB PHE A 9 -3.593 -1.067 0.904 1.00 0.00 C ATOM 123 CG PHE A 9 -5.114 -0.961 0.810 1.00 0.00 C ATOM 124 CD1 PHE A 9 -5.857 -0.563 1.926 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.767 -1.205 -0.402 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.238 -0.403 1.828 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.146 -1.049 -0.497 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.880 -0.647 0.616 1.00 0.00 C ATOM 129 H PHE A 9 -1.181 -1.116 1.757 1.00 0.00 H ATOM 130 HA PHE A 9 -3.647 -2.615 2.470 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.222 -0.167 1.418 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.144 -0.957 -0.102 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.367 -0.378 2.871 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.206 -1.517 -1.272 1.00 0.00 H ATOM 135 HE1 PHE A 9 -7.813 -0.100 2.692 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.649 -1.244 -1.434 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.952 -0.530 0.542 1.00 0.00 H ATOM 138 N LEU A 10 -2.132 -3.571 -0.335 1.00 0.00 N ATOM 139 CA LEU A 10 -1.759 -4.715 -1.211 1.00 0.00 C ATOM 140 C LEU A 10 -1.050 -5.923 -0.503 1.00 0.00 C ATOM 141 O LEU A 10 -1.369 -7.083 -0.778 1.00 0.00 O ATOM 142 CB LEU A 10 -0.862 -4.146 -2.354 1.00 0.00 C ATOM 143 CG LEU A 10 -1.573 -3.375 -3.497 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.533 -2.682 -4.391 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.443 -4.296 -4.372 1.00 0.00 C ATOM 146 H LEU A 10 -1.595 -2.701 -0.222 1.00 0.00 H ATOM 147 HA LEU A 10 -2.671 -5.151 -1.627 1.00 0.00 H ATOM 148 HB2 LEU A 10 -0.083 -3.500 -1.896 1.00 0.00 H ATOM 149 HB3 LEU A 10 -0.260 -4.961 -2.799 1.00 0.00 H ATOM 150 HG LEU A 10 -2.219 -2.592 -3.051 1.00 0.00 H ATOM 151 HD11 LEU A 10 -1.009 -2.104 -5.203 1.00 0.00 H ATOM 152 HD12 LEU A 10 0.083 -1.967 -3.815 1.00 0.00 H ATOM 153 HD13 LEU A 10 0.161 -3.404 -4.862 1.00 0.00 H ATOM 154 HD21 LEU A 10 -2.924 -3.742 -5.199 1.00 0.00 H ATOM 155 HD22 LEU A 10 -1.854 -5.115 -4.826 1.00 0.00 H ATOM 156 HD23 LEU A 10 -3.261 -4.764 -3.795 1.00 0.00 H ATOM 157 N HIS A 11 -0.083 -5.645 0.380 1.00 0.00 N ATOM 158 CA HIS A 11 0.734 -6.685 1.072 1.00 0.00 C ATOM 159 C HIS A 11 0.649 -6.504 2.635 1.00 0.00 C ATOM 160 O HIS A 11 1.531 -5.855 3.216 1.00 0.00 O ATOM 161 CB HIS A 11 2.194 -6.644 0.536 1.00 0.00 C ATOM 162 CG HIS A 11 2.393 -6.862 -0.964 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.174 -8.059 -1.610 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.697 -5.862 -1.902 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.337 -7.662 -2.911 1.00 0.00 C ATOM 166 NE2 HIS A 11 2.668 -6.362 -3.197 1.00 0.00 N ATOM 167 H HIS A 11 0.015 -4.630 0.512 1.00 0.00 H ATOM 168 HA HIS A 11 0.347 -7.697 0.846 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.638 -5.678 0.829 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.799 -7.397 1.074 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.781 -8.929 -1.243 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.866 -4.824 -1.654 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.174 -8.360 -3.723 1.00 0.00 H ATOM 174 N PRO A 12 -0.357 -7.069 3.367 1.00 0.00 N ATOM 175 CA PRO A 12 -0.500 -6.856 4.837 1.00 0.00 C ATOM 176 C PRO A 12 0.405 -7.775 5.725 1.00 0.00 C ATOM 177 O PRO A 12 0.003 -8.791 6.290 1.00 0.00 O ATOM 178 CB PRO A 12 -2.021 -7.056 5.008 1.00 0.00 C ATOM 179 CG PRO A 12 -2.415 -8.079 3.939 1.00 0.00 C ATOM 180 CD PRO A 12 -1.522 -7.732 2.749 1.00 0.00 C ATOM 181 HA PRO A 12 -0.271 -5.803 5.102 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.306 -7.374 6.028 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.545 -6.097 4.820 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.194 -9.105 4.295 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.491 -8.045 3.685 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.229 -8.630 2.173 1.00 0.00 H ATOM 187 HD3 PRO A 12 -2.030 -7.043 2.045 1.00 0.00 H HETATM 188 N NH2 A 13 1.668 -7.445 5.894 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.012 -6.738 5.236 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.206 -8.158 6.392 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 6 ATOM 1 N SER A 1 -7.963 5.036 3.098 1.00 0.00 N ATOM 2 CA SER A 1 -7.214 6.279 3.424 1.00 0.00 C ATOM 3 C SER A 1 -5.663 6.071 3.459 1.00 0.00 C ATOM 4 O SER A 1 -5.021 6.218 4.503 1.00 0.00 O ATOM 5 CB SER A 1 -7.823 6.840 4.732 1.00 0.00 C ATOM 6 OG SER A 1 -7.148 8.037 5.117 1.00 0.00 O ATOM 7 H1 SER A 1 -8.974 5.213 3.126 1.00 0.00 H ATOM 8 H2 SER A 1 -7.791 4.319 3.813 1.00 0.00 H ATOM 9 HA SER A 1 -7.417 7.023 2.631 1.00 0.00 H ATOM 10 HB2 SER A 1 -8.902 7.056 4.608 1.00 0.00 H ATOM 11 HB3 SER A 1 -7.750 6.100 5.555 1.00 0.00 H ATOM 12 HG SER A 1 -6.216 7.799 5.213 1.00 0.00 H ATOM 13 N ASP A 2 -5.057 5.776 2.298 1.00 0.00 N ATOM 14 CA ASP A 2 -3.586 5.553 2.174 1.00 0.00 C ATOM 15 C ASP A 2 -2.990 6.264 0.912 1.00 0.00 C ATOM 16 O ASP A 2 -3.652 6.548 -0.089 1.00 0.00 O ATOM 17 CB ASP A 2 -3.248 4.036 2.125 1.00 0.00 C ATOM 18 CG ASP A 2 -3.685 3.181 3.308 1.00 0.00 C ATOM 19 OD1 ASP A 2 -4.617 2.387 3.273 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.915 3.394 4.407 1.00 0.00 O ATOM 21 H ASP A 2 -5.706 5.631 1.518 1.00 0.00 H ATOM 22 HA ASP A 2 -3.051 5.968 3.055 1.00 0.00 H ATOM 23 HB2 ASP A 2 -3.630 3.604 1.191 1.00 0.00 H ATOM 24 HB3 ASP A 2 -2.156 3.907 2.048 1.00 0.00 H ATOM 25 HD2 ASP A 2 -3.270 2.862 5.121 1.00 0.00 H ATOM 26 N MET A 3 -1.677 6.495 0.984 1.00 0.00 N ATOM 27 CA MET A 3 -0.859 7.047 -0.135 1.00 0.00 C ATOM 28 C MET A 3 0.442 6.198 -0.222 1.00 0.00 C ATOM 29 O MET A 3 0.568 5.304 -1.063 1.00 0.00 O ATOM 30 CB MET A 3 -0.756 8.602 -0.083 1.00 0.00 C ATOM 31 CG MET A 3 -0.110 9.275 1.150 1.00 0.00 C ATOM 32 SD MET A 3 -0.309 11.062 1.024 1.00 0.00 S ATOM 33 CE MET A 3 0.533 11.550 2.538 1.00 0.00 C ATOM 34 H MET A 3 -1.263 6.012 1.783 1.00 0.00 H ATOM 35 HA MET A 3 -1.350 6.814 -1.088 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.228 8.951 -0.992 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.781 9.007 -0.195 1.00 0.00 H ATOM 38 HG2 MET A 3 -0.584 8.930 2.088 1.00 0.00 H ATOM 39 HG3 MET A 3 0.970 9.049 1.223 1.00 0.00 H ATOM 40 HE1 MET A 3 0.525 12.649 2.645 1.00 0.00 H ATOM 41 HE2 MET A 3 0.035 11.115 3.423 1.00 0.00 H ATOM 42 HE3 MET A 3 1.586 11.214 2.529 1.00 0.00 H ATOM 43 N THR A 4 1.351 6.389 0.734 1.00 0.00 N ATOM 44 CA THR A 4 2.578 5.532 0.904 1.00 0.00 C ATOM 45 C THR A 4 2.410 4.311 1.873 1.00 0.00 C ATOM 46 O THR A 4 3.345 3.815 2.503 1.00 0.00 O ATOM 47 CB THR A 4 3.822 6.415 1.213 1.00 0.00 C ATOM 48 OG1 THR A 4 3.660 7.144 2.428 1.00 0.00 O ATOM 49 CG2 THR A 4 4.134 7.419 0.098 1.00 0.00 C ATOM 50 H THR A 4 1.074 7.162 1.344 1.00 0.00 H ATOM 51 HA THR A 4 2.778 4.993 -0.052 1.00 0.00 H ATOM 52 HB THR A 4 4.708 5.755 1.313 1.00 0.00 H ATOM 53 HG1 THR A 4 3.748 6.509 3.145 1.00 0.00 H ATOM 54 HG21 THR A 4 5.058 7.981 0.310 1.00 0.00 H ATOM 55 HG22 THR A 4 3.315 8.153 -0.018 1.00 0.00 H ATOM 56 HG23 THR A 4 4.251 6.910 -0.877 1.00 0.00 H ATOM 57 N THR A 5 1.178 3.813 1.950 1.00 0.00 N ATOM 58 CA THR A 5 0.840 2.429 2.383 1.00 0.00 C ATOM 59 C THR A 5 -0.292 1.845 1.459 1.00 0.00 C ATOM 60 O THR A 5 -0.933 0.860 1.819 1.00 0.00 O ATOM 61 CB THR A 5 0.654 2.275 3.909 1.00 0.00 C ATOM 62 OG1 THR A 5 1.560 3.082 4.655 1.00 0.00 O ATOM 63 CG2 THR A 5 0.873 0.837 4.412 1.00 0.00 C ATOM 64 H THR A 5 0.475 4.481 1.605 1.00 0.00 H ATOM 65 HA THR A 5 1.664 1.737 2.123 1.00 0.00 H ATOM 66 HB THR A 5 -0.370 2.597 4.099 1.00 0.00 H ATOM 67 HG1 THR A 5 2.367 3.137 4.128 1.00 0.00 H ATOM 68 HG21 THR A 5 0.112 0.143 4.015 1.00 0.00 H ATOM 69 HG22 THR A 5 0.817 0.773 5.513 1.00 0.00 H ATOM 70 HG23 THR A 5 1.865 0.436 4.120 1.00 0.00 H ATOM 71 N VAL A 6 -0.479 2.353 0.206 1.00 0.00 N ATOM 72 CA VAL A 6 -1.156 1.562 -0.881 1.00 0.00 C ATOM 73 C VAL A 6 -0.346 0.239 -1.181 1.00 0.00 C ATOM 74 O VAL A 6 -0.937 -0.793 -1.496 1.00 0.00 O ATOM 75 CB VAL A 6 -1.474 2.451 -2.133 1.00 0.00 C ATOM 76 CG1 VAL A 6 -2.112 1.671 -3.308 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.437 3.620 -1.826 1.00 0.00 C ATOM 78 H VAL A 6 0.064 3.208 -0.006 1.00 0.00 H ATOM 79 HA VAL A 6 -2.103 1.176 -0.486 1.00 0.00 H ATOM 80 HB VAL A 6 -0.519 2.883 -2.499 1.00 0.00 H ATOM 81 HG11 VAL A 6 -1.453 0.866 -3.682 1.00 0.00 H ATOM 82 HG12 VAL A 6 -3.068 1.192 -3.022 1.00 0.00 H ATOM 83 HG13 VAL A 6 -2.323 2.322 -4.179 1.00 0.00 H ATOM 84 HG21 VAL A 6 -2.035 4.291 -1.047 1.00 0.00 H ATOM 85 HG22 VAL A 6 -3.425 3.270 -1.469 1.00 0.00 H ATOM 86 HG23 VAL A 6 -2.621 4.258 -2.710 1.00 0.00 H ATOM 87 N TRP A 7 0.986 0.253 -0.974 1.00 0.00 N ATOM 88 CA TRP A 7 1.800 -0.994 -0.930 1.00 0.00 C ATOM 89 C TRP A 7 1.414 -2.023 0.197 1.00 0.00 C ATOM 90 O TRP A 7 1.453 -3.229 -0.034 1.00 0.00 O ATOM 91 CB TRP A 7 3.295 -0.582 -0.930 1.00 0.00 C ATOM 92 CG TRP A 7 3.951 -0.205 0.418 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.988 1.074 1.009 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.480 -1.063 1.375 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.588 1.047 2.282 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.868 -0.289 2.496 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.484 -2.481 1.451 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.298 -0.924 3.684 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.922 -3.087 2.628 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.333 -2.320 3.725 1.00 0.00 C ATOM 101 H TRP A 7 1.258 1.146 -0.524 1.00 0.00 H ATOM 102 HA TRP A 7 1.604 -1.535 -1.869 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.856 -1.433 -1.351 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.456 0.231 -1.664 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.425 1.926 0.647 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.674 1.821 2.951 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.032 -3.065 0.662 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.564 -0.341 4.553 1.00 0.00 H ATOM 109 HZ3 TRP A 7 4.900 -4.166 2.709 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.647 -2.818 4.632 1.00 0.00 H ATOM 111 N GLY A 8 1.091 -1.536 1.406 1.00 0.00 N ATOM 112 CA GLY A 8 0.626 -2.394 2.541 1.00 0.00 C ATOM 113 C GLY A 8 -0.856 -2.822 2.536 1.00 0.00 C ATOM 114 O GLY A 8 -1.212 -3.875 3.058 1.00 0.00 O ATOM 115 H GLY A 8 0.832 -0.551 1.300 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.217 -3.312 2.536 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.857 -1.930 3.505 1.00 0.00 H ATOM 118 N PHE A 9 -1.708 -1.999 1.920 1.00 0.00 N ATOM 119 CA PHE A 9 -3.070 -2.417 1.455 1.00 0.00 C ATOM 120 C PHE A 9 -3.042 -3.710 0.546 1.00 0.00 C ATOM 121 O PHE A 9 -3.808 -4.659 0.719 1.00 0.00 O ATOM 122 CB PHE A 9 -3.647 -1.177 0.711 1.00 0.00 C ATOM 123 CG PHE A 9 -5.172 -1.121 0.621 1.00 0.00 C ATOM 124 CD1 PHE A 9 -5.842 -1.729 -0.446 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.907 -0.437 1.595 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.229 -1.655 -0.536 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.294 -0.362 1.502 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.953 -0.970 0.437 1.00 0.00 C ATOM 129 H PHE A 9 -1.232 -1.125 1.654 1.00 0.00 H ATOM 130 HA PHE A 9 -3.684 -2.656 2.338 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.284 -0.245 1.175 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.219 -1.115 -0.308 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.288 -2.268 -1.202 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.407 0.038 2.427 1.00 0.00 H ATOM 135 HE1 PHE A 9 -7.744 -2.133 -1.358 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.857 0.169 2.256 1.00 0.00 H ATOM 137 HZ PHE A 9 -9.031 -0.914 0.367 1.00 0.00 H ATOM 138 N LEU A 10 -2.094 -3.698 -0.399 1.00 0.00 N ATOM 139 CA LEU A 10 -1.699 -4.877 -1.223 1.00 0.00 C ATOM 140 C LEU A 10 -0.956 -6.031 -0.459 1.00 0.00 C ATOM 141 O LEU A 10 -1.214 -7.210 -0.713 1.00 0.00 O ATOM 142 CB LEU A 10 -0.849 -4.358 -2.429 1.00 0.00 C ATOM 143 CG LEU A 10 -1.614 -4.029 -3.739 1.00 0.00 C ATOM 144 CD1 LEU A 10 -2.632 -2.884 -3.610 1.00 0.00 C ATOM 145 CD2 LEU A 10 -0.613 -3.674 -4.852 1.00 0.00 C ATOM 146 H LEU A 10 -1.589 -2.804 -0.333 1.00 0.00 H ATOM 147 HA LEU A 10 -2.609 -5.359 -1.597 1.00 0.00 H ATOM 148 HB2 LEU A 10 -0.192 -3.516 -2.116 1.00 0.00 H ATOM 149 HB3 LEU A 10 -0.108 -5.139 -2.695 1.00 0.00 H ATOM 150 HG LEU A 10 -2.163 -4.940 -4.052 1.00 0.00 H ATOM 151 HD11 LEU A 10 -2.153 -1.929 -3.332 1.00 0.00 H ATOM 152 HD12 LEU A 10 -3.397 -3.100 -2.842 1.00 0.00 H ATOM 153 HD13 LEU A 10 -3.177 -2.710 -4.557 1.00 0.00 H ATOM 154 HD21 LEU A 10 -1.119 -3.494 -5.819 1.00 0.00 H ATOM 155 HD22 LEU A 10 -0.030 -2.766 -4.613 1.00 0.00 H ATOM 156 HD23 LEU A 10 0.114 -4.491 -5.024 1.00 0.00 H ATOM 157 N HIS A 11 -0.028 -5.690 0.443 1.00 0.00 N ATOM 158 CA HIS A 11 0.813 -6.674 1.186 1.00 0.00 C ATOM 159 C HIS A 11 0.677 -6.454 2.740 1.00 0.00 C ATOM 160 O HIS A 11 1.518 -5.759 3.327 1.00 0.00 O ATOM 161 CB HIS A 11 2.284 -6.576 0.688 1.00 0.00 C ATOM 162 CG HIS A 11 2.536 -6.842 -0.796 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.420 -8.079 -1.394 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.796 -5.864 -1.770 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.593 -7.728 -2.706 1.00 0.00 C ATOM 166 NE2 HIS A 11 2.839 -6.421 -3.041 1.00 0.00 N ATOM 167 H HIS A 11 0.002 -4.672 0.574 1.00 0.00 H ATOM 168 HA HIS A 11 0.478 -7.708 0.978 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.669 -5.576 0.953 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.913 -7.274 1.271 1.00 0.00 H ATOM 171 HD1 HIS A 11 2.089 -8.961 -0.995 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.884 -4.807 -1.565 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.507 -8.471 -3.488 1.00 0.00 H ATOM 174 N PRO A 12 -0.330 -7.038 3.459 1.00 0.00 N ATOM 175 CA PRO A 12 -0.524 -6.790 4.917 1.00 0.00 C ATOM 176 C PRO A 12 0.391 -7.647 5.857 1.00 0.00 C ATOM 177 O PRO A 12 0.015 -8.664 6.435 1.00 0.00 O ATOM 178 CB PRO A 12 -2.039 -7.050 5.050 1.00 0.00 C ATOM 179 CG PRO A 12 -2.360 -8.118 4.001 1.00 0.00 C ATOM 180 CD PRO A 12 -1.447 -7.767 2.828 1.00 0.00 C ATOM 181 HA PRO A 12 -0.347 -5.722 5.159 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.342 -7.351 6.071 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.599 -6.119 4.819 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.106 -9.123 4.394 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.428 -8.137 3.716 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.098 -8.667 2.286 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.962 -7.121 2.088 1.00 0.00 H HETATM 188 N NH2 A 13 1.632 -7.259 6.056 1.00 0.00 N HETATM 189 HN1 NH2 A 13 1.967 -6.555 5.389 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.184 -7.935 6.588 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 7 ATOM 1 N SER A 1 -7.496 6.488 4.650 1.00 0.00 N ATOM 2 CA SER A 1 -7.053 6.952 3.310 1.00 0.00 C ATOM 3 C SER A 1 -5.515 6.773 3.119 1.00 0.00 C ATOM 4 O SER A 1 -4.720 7.624 3.532 1.00 0.00 O ATOM 5 CB SER A 1 -7.536 8.407 3.085 1.00 0.00 C ATOM 6 OG SER A 1 -6.863 9.326 3.946 1.00 0.00 O ATOM 7 H1 SER A 1 -7.355 5.478 4.757 1.00 0.00 H ATOM 8 H2 SER A 1 -8.501 6.653 4.774 1.00 0.00 H ATOM 9 HA SER A 1 -7.575 6.335 2.553 1.00 0.00 H ATOM 10 HB2 SER A 1 -7.358 8.704 2.033 1.00 0.00 H ATOM 11 HB3 SER A 1 -8.631 8.493 3.231 1.00 0.00 H ATOM 12 HG SER A 1 -5.956 8.993 4.034 1.00 0.00 H ATOM 13 N ASP A 2 -5.096 5.662 2.492 1.00 0.00 N ATOM 14 CA ASP A 2 -3.656 5.375 2.233 1.00 0.00 C ATOM 15 C ASP A 2 -3.086 6.002 0.918 1.00 0.00 C ATOM 16 O ASP A 2 -3.750 6.163 -0.108 1.00 0.00 O ATOM 17 CB ASP A 2 -3.360 3.856 2.342 1.00 0.00 C ATOM 18 CG ASP A 2 -4.181 2.871 1.508 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.825 2.433 0.424 1.00 0.00 O ATOM 20 OD2 ASP A 2 -5.348 2.518 2.109 1.00 0.00 O ATOM 21 H ASP A 2 -5.842 5.024 2.201 1.00 0.00 H ATOM 22 HA ASP A 2 -3.071 5.817 3.071 1.00 0.00 H ATOM 23 HB2 ASP A 2 -2.302 3.669 2.090 1.00 0.00 H ATOM 24 HB3 ASP A 2 -3.398 3.585 3.403 1.00 0.00 H ATOM 25 HD2 ASP A 2 -5.786 1.882 1.539 1.00 0.00 H ATOM 26 N MET A 3 -1.793 6.321 1.007 1.00 0.00 N ATOM 27 CA MET A 3 -0.984 6.885 -0.116 1.00 0.00 C ATOM 28 C MET A 3 0.372 6.120 -0.183 1.00 0.00 C ATOM 29 O MET A 3 0.598 5.278 -1.054 1.00 0.00 O ATOM 30 CB MET A 3 -0.971 8.447 -0.099 1.00 0.00 C ATOM 31 CG MET A 3 -0.276 9.206 1.057 1.00 0.00 C ATOM 32 SD MET A 3 -1.046 8.836 2.647 1.00 0.00 S ATOM 33 CE MET A 3 0.227 9.474 3.746 1.00 0.00 C ATOM 34 H MET A 3 -1.396 5.990 1.894 1.00 0.00 H ATOM 35 HA MET A 3 -1.460 6.613 -1.066 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.523 8.791 -1.050 1.00 0.00 H ATOM 37 HB3 MET A 3 -2.021 8.796 -0.159 1.00 0.00 H ATOM 38 HG2 MET A 3 0.808 8.991 1.092 1.00 0.00 H ATOM 39 HG3 MET A 3 -0.352 10.298 0.890 1.00 0.00 H ATOM 40 HE1 MET A 3 0.415 10.545 3.550 1.00 0.00 H ATOM 41 HE2 MET A 3 -0.088 9.368 4.799 1.00 0.00 H ATOM 42 HE3 MET A 3 1.176 8.922 3.614 1.00 0.00 H ATOM 43 N THR A 4 1.228 6.337 0.814 1.00 0.00 N ATOM 44 CA THR A 4 2.493 5.546 1.024 1.00 0.00 C ATOM 45 C THR A 4 2.351 4.260 1.910 1.00 0.00 C ATOM 46 O THR A 4 3.332 3.705 2.402 1.00 0.00 O ATOM 47 CB THR A 4 3.644 6.493 1.479 1.00 0.00 C ATOM 48 OG1 THR A 4 3.316 7.166 2.691 1.00 0.00 O ATOM 49 CG2 THR A 4 4.010 7.564 0.444 1.00 0.00 C ATOM 50 H THR A 4 0.874 7.065 1.437 1.00 0.00 H ATOM 51 HA THR A 4 2.784 5.056 0.062 1.00 0.00 H ATOM 52 HB THR A 4 4.551 5.877 1.653 1.00 0.00 H ATOM 53 HG1 THR A 4 4.044 7.769 2.864 1.00 0.00 H ATOM 54 HG21 THR A 4 4.254 7.107 -0.533 1.00 0.00 H ATOM 55 HG22 THR A 4 4.879 8.165 0.760 1.00 0.00 H ATOM 56 HG23 THR A 4 3.166 8.259 0.270 1.00 0.00 H ATOM 57 N THR A 5 1.118 3.770 2.062 1.00 0.00 N ATOM 58 CA THR A 5 0.821 2.341 2.349 1.00 0.00 C ATOM 59 C THR A 5 -0.254 1.809 1.333 1.00 0.00 C ATOM 60 O THR A 5 -0.943 0.833 1.621 1.00 0.00 O ATOM 61 CB THR A 5 0.617 1.959 3.846 1.00 0.00 C ATOM 62 OG1 THR A 5 0.102 3.032 4.624 1.00 0.00 O ATOM 63 CG2 THR A 5 1.903 1.446 4.514 1.00 0.00 C ATOM 64 H THR A 5 0.426 4.368 1.598 1.00 0.00 H ATOM 65 HA THR A 5 1.680 1.724 2.013 1.00 0.00 H ATOM 66 HB THR A 5 -0.091 1.115 3.888 1.00 0.00 H ATOM 67 HG1 THR A 5 0.833 3.652 4.710 1.00 0.00 H ATOM 68 HG21 THR A 5 2.294 0.547 3.995 1.00 0.00 H ATOM 69 HG22 THR A 5 2.717 2.192 4.499 1.00 0.00 H ATOM 70 HG23 THR A 5 1.733 1.145 5.563 1.00 0.00 H ATOM 71 N VAL A 6 -0.320 2.337 0.077 1.00 0.00 N ATOM 72 CA VAL A 6 -0.936 1.591 -1.080 1.00 0.00 C ATOM 73 C VAL A 6 -0.162 0.242 -1.332 1.00 0.00 C ATOM 74 O VAL A 6 -0.771 -0.778 -1.659 1.00 0.00 O ATOM 75 CB VAL A 6 -1.104 2.517 -2.336 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.550 1.782 -3.624 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.141 3.642 -2.117 1.00 0.00 C ATOM 78 H VAL A 6 0.221 3.201 -0.070 1.00 0.00 H ATOM 79 HA VAL A 6 -1.926 1.237 -0.776 1.00 0.00 H ATOM 80 HB VAL A 6 -0.124 2.991 -2.548 1.00 0.00 H ATOM 81 HG11 VAL A 6 -0.817 1.015 -3.939 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.518 1.262 -3.492 1.00 0.00 H ATOM 83 HG13 VAL A 6 -1.663 2.470 -4.482 1.00 0.00 H ATOM 84 HG21 VAL A 6 -2.166 4.360 -2.957 1.00 0.00 H ATOM 85 HG22 VAL A 6 -3.169 3.249 -1.993 1.00 0.00 H ATOM 86 HG23 VAL A 6 -1.926 4.231 -1.209 1.00 0.00 H ATOM 87 N TRP A 7 1.161 0.233 -1.083 1.00 0.00 N ATOM 88 CA TRP A 7 1.946 -1.029 -0.979 1.00 0.00 C ATOM 89 C TRP A 7 1.509 -2.035 0.153 1.00 0.00 C ATOM 90 O TRP A 7 1.549 -3.245 -0.052 1.00 0.00 O ATOM 91 CB TRP A 7 3.449 -0.643 -0.935 1.00 0.00 C ATOM 92 CG TRP A 7 4.071 -0.230 0.417 1.00 0.00 C ATOM 93 CD1 TRP A 7 4.147 1.079 0.920 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.560 -1.039 1.437 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.733 1.121 2.198 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.960 -0.204 2.510 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.538 -2.447 1.603 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.363 -0.769 3.741 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.948 -2.987 2.823 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.363 -2.160 3.874 1.00 0.00 C ATOM 101 H TRP A 7 1.457 1.162 -0.726 1.00 0.00 H ATOM 102 HA TRP A 7 1.775 -1.587 -1.912 1.00 0.00 H ATOM 103 HB2 TRP A 7 4.014 -1.509 -1.313 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.647 0.150 -1.684 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.639 1.922 0.474 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.764 1.932 2.830 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.101 -3.075 0.843 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.637 -0.135 4.571 1.00 0.00 H ATOM 109 HZ3 TRP A 7 4.909 -4.058 2.969 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.658 -2.605 4.814 1.00 0.00 H ATOM 111 N GLY A 8 1.141 -1.525 1.340 1.00 0.00 N ATOM 112 CA GLY A 8 0.680 -2.358 2.498 1.00 0.00 C ATOM 113 C GLY A 8 -0.804 -2.772 2.558 1.00 0.00 C ATOM 114 O GLY A 8 -1.153 -3.815 3.104 1.00 0.00 O ATOM 115 H GLY A 8 0.944 -0.528 1.224 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.253 -3.288 2.500 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.938 -1.872 3.440 1.00 0.00 H ATOM 118 N PHE A 9 -1.671 -1.937 1.991 1.00 0.00 N ATOM 119 CA PHE A 9 -3.056 -2.328 1.572 1.00 0.00 C ATOM 120 C PHE A 9 -3.087 -3.636 0.686 1.00 0.00 C ATOM 121 O PHE A 9 -3.848 -4.578 0.906 1.00 0.00 O ATOM 122 CB PHE A 9 -3.550 -1.071 0.800 1.00 0.00 C ATOM 123 CG PHE A 9 -5.021 -1.069 0.388 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.015 -0.740 1.313 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.379 -1.385 -0.927 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.355 -0.734 0.929 1.00 0.00 C ATOM 127 CE2 PHE A 9 -6.717 -1.378 -1.310 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.703 -1.054 -0.382 1.00 0.00 C ATOM 129 H PHE A 9 -1.196 -1.086 1.666 1.00 0.00 H ATOM 130 HA PHE A 9 -3.676 -2.512 2.464 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.340 -0.167 1.385 1.00 0.00 H ATOM 132 HB3 PHE A 9 -2.924 -0.914 -0.101 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.754 -0.508 2.336 1.00 0.00 H ATOM 134 HD2 PHE A 9 -4.623 -1.650 -1.653 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.124 -0.495 1.649 1.00 0.00 H ATOM 136 HE2 PHE A 9 -6.992 -1.633 -2.323 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.742 -1.057 -0.677 1.00 0.00 H ATOM 138 N LEU A 10 -2.183 -3.625 -0.297 1.00 0.00 N ATOM 139 CA LEU A 10 -1.826 -4.793 -1.146 1.00 0.00 C ATOM 140 C LEU A 10 -1.096 -5.964 -0.398 1.00 0.00 C ATOM 141 O LEU A 10 -1.446 -7.136 -0.558 1.00 0.00 O ATOM 142 CB LEU A 10 -0.967 -4.226 -2.323 1.00 0.00 C ATOM 143 CG LEU A 10 -1.096 -4.868 -3.729 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.762 -6.366 -3.760 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.479 -4.624 -4.355 1.00 0.00 C ATOM 146 H LEU A 10 -1.673 -2.732 -0.237 1.00 0.00 H ATOM 147 HA LEU A 10 -2.754 -5.225 -1.531 1.00 0.00 H ATOM 148 HB2 LEU A 10 -1.151 -3.147 -2.447 1.00 0.00 H ATOM 149 HB3 LEU A 10 0.096 -4.218 -2.015 1.00 0.00 H ATOM 150 HG LEU A 10 -0.352 -4.361 -4.376 1.00 0.00 H ATOM 151 HD11 LEU A 10 -1.505 -6.975 -3.213 1.00 0.00 H ATOM 152 HD12 LEU A 10 -0.718 -6.757 -4.793 1.00 0.00 H ATOM 153 HD13 LEU A 10 0.222 -6.570 -3.299 1.00 0.00 H ATOM 154 HD21 LEU A 10 -2.733 -3.548 -4.379 1.00 0.00 H ATOM 155 HD22 LEU A 10 -2.523 -4.987 -5.399 1.00 0.00 H ATOM 156 HD23 LEU A 10 -3.287 -5.137 -3.801 1.00 0.00 H ATOM 157 N HIS A 11 -0.080 -5.626 0.410 1.00 0.00 N ATOM 158 CA HIS A 11 0.746 -6.615 1.164 1.00 0.00 C ATOM 159 C HIS A 11 0.628 -6.403 2.724 1.00 0.00 C ATOM 160 O HIS A 11 1.429 -5.642 3.284 1.00 0.00 O ATOM 161 CB HIS A 11 2.223 -6.548 0.692 1.00 0.00 C ATOM 162 CG HIS A 11 2.517 -6.836 -0.778 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.483 -8.092 -1.342 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.895 -5.889 -1.743 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.837 -7.788 -2.629 1.00 0.00 C ATOM 166 NE2 HIS A 11 3.114 -6.490 -2.976 1.00 0.00 N ATOM 167 H HIS A 11 0.024 -4.598 0.431 1.00 0.00 H ATOM 168 HA HIS A 11 0.416 -7.650 0.947 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.610 -5.554 0.966 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.828 -7.246 1.299 1.00 0.00 H ATOM 171 HD1 HIS A 11 2.191 -8.984 -0.932 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.997 -4.831 -1.553 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.886 -8.564 -3.384 1.00 0.00 H ATOM 174 N PRO A 12 -0.312 -7.060 3.470 1.00 0.00 N ATOM 175 CA PRO A 12 -0.450 -6.905 4.950 1.00 0.00 C ATOM 176 C PRO A 12 0.803 -7.211 5.845 1.00 0.00 C ATOM 177 O PRO A 12 1.103 -8.336 6.240 1.00 0.00 O ATOM 178 CB PRO A 12 -1.636 -7.847 5.256 1.00 0.00 C ATOM 179 CG PRO A 12 -2.474 -7.874 3.980 1.00 0.00 C ATOM 180 CD PRO A 12 -1.452 -7.763 2.853 1.00 0.00 C ATOM 181 HA PRO A 12 -0.777 -5.866 5.155 1.00 0.00 H ATOM 182 HB2 PRO A 12 -1.282 -8.875 5.478 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.215 -7.518 6.138 1.00 0.00 H ATOM 184 HG2 PRO A 12 -3.104 -8.779 3.893 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.155 -7.000 3.953 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.101 -8.737 2.464 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.896 -7.209 2.004 1.00 0.00 H HETATM 188 N NH2 A 13 1.585 -6.219 6.211 1.00 0.00 N HETATM 189 HN1 NH2 A 13 1.511 -5.402 5.599 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.426 -6.557 6.686 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 8 ATOM 1 N SER A 1 0.746 10.139 3.962 1.00 0.00 N ATOM 2 CA SER A 1 0.149 9.119 4.864 1.00 0.00 C ATOM 3 C SER A 1 -0.569 7.980 4.078 1.00 0.00 C ATOM 4 O SER A 1 0.034 6.930 3.847 1.00 0.00 O ATOM 5 CB SER A 1 -0.681 9.823 5.968 1.00 0.00 C ATOM 6 OG SER A 1 -1.759 10.590 5.427 1.00 0.00 O ATOM 7 H1 SER A 1 0.026 10.542 3.352 1.00 0.00 H ATOM 8 H2 SER A 1 1.428 9.702 3.330 1.00 0.00 H ATOM 9 HA SER A 1 0.988 8.622 5.386 1.00 0.00 H ATOM 10 HB2 SER A 1 -1.087 9.070 6.672 1.00 0.00 H ATOM 11 HB3 SER A 1 -0.032 10.474 6.586 1.00 0.00 H ATOM 12 HG SER A 1 -1.367 11.377 5.033 1.00 0.00 H ATOM 13 N ASP A 2 -1.818 8.182 3.620 1.00 0.00 N ATOM 14 CA ASP A 2 -2.608 7.143 2.881 1.00 0.00 C ATOM 15 C ASP A 2 -1.962 6.528 1.594 1.00 0.00 C ATOM 16 O ASP A 2 -1.917 5.309 1.430 1.00 0.00 O ATOM 17 CB ASP A 2 -4.020 7.717 2.585 1.00 0.00 C ATOM 18 CG ASP A 2 -4.937 7.869 3.795 1.00 0.00 C ATOM 19 OD1 ASP A 2 -5.135 8.941 4.353 1.00 0.00 O ATOM 20 OD2 ASP A 2 -5.500 6.685 4.173 1.00 0.00 O ATOM 21 H ASP A 2 -2.251 9.008 4.058 1.00 0.00 H ATOM 22 HA ASP A 2 -2.709 6.276 3.551 1.00 0.00 H ATOM 23 HB2 ASP A 2 -3.939 8.703 2.093 1.00 0.00 H ATOM 24 HB3 ASP A 2 -4.536 7.091 1.838 1.00 0.00 H ATOM 25 HD2 ASP A 2 -5.209 5.967 3.612 1.00 0.00 H ATOM 26 N MET A 3 -1.467 7.386 0.699 1.00 0.00 N ATOM 27 CA MET A 3 -0.731 6.972 -0.539 1.00 0.00 C ATOM 28 C MET A 3 0.542 6.073 -0.339 1.00 0.00 C ATOM 29 O MET A 3 0.767 5.124 -1.093 1.00 0.00 O ATOM 30 CB MET A 3 -0.513 8.230 -1.428 1.00 0.00 C ATOM 31 CG MET A 3 0.435 9.342 -0.916 1.00 0.00 C ATOM 32 SD MET A 3 2.160 8.845 -1.092 1.00 0.00 S ATOM 33 CE MET A 3 2.942 10.150 -0.131 1.00 0.00 C ATOM 34 H MET A 3 -1.512 8.333 1.079 1.00 0.00 H ATOM 35 HA MET A 3 -1.416 6.315 -1.095 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.158 7.900 -2.425 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.501 8.683 -1.640 1.00 0.00 H ATOM 38 HG2 MET A 3 0.289 10.269 -1.501 1.00 0.00 H ATOM 39 HG3 MET A 3 0.221 9.605 0.136 1.00 0.00 H ATOM 40 HE1 MET A 3 2.700 11.145 -0.544 1.00 0.00 H ATOM 41 HE2 MET A 3 2.609 10.116 0.923 1.00 0.00 H ATOM 42 HE3 MET A 3 4.040 10.030 -0.144 1.00 0.00 H ATOM 43 N THR A 4 1.329 6.344 0.709 1.00 0.00 N ATOM 44 CA THR A 4 2.521 5.511 1.095 1.00 0.00 C ATOM 45 C THR A 4 2.272 4.271 2.026 1.00 0.00 C ATOM 46 O THR A 4 3.186 3.760 2.679 1.00 0.00 O ATOM 47 CB THR A 4 3.635 6.472 1.610 1.00 0.00 C ATOM 48 OG1 THR A 4 4.859 5.763 1.752 1.00 0.00 O ATOM 49 CG2 THR A 4 3.338 7.117 2.972 1.00 0.00 C ATOM 50 H THR A 4 0.875 7.029 1.320 1.00 0.00 H ATOM 51 HA THR A 4 2.894 4.990 0.182 1.00 0.00 H ATOM 52 HB THR A 4 3.798 7.274 0.861 1.00 0.00 H ATOM 53 HG1 THR A 4 4.674 5.041 2.366 1.00 0.00 H ATOM 54 HG21 THR A 4 4.169 7.762 3.302 1.00 0.00 H ATOM 55 HG22 THR A 4 3.166 6.357 3.758 1.00 0.00 H ATOM 56 HG23 THR A 4 2.425 7.738 2.928 1.00 0.00 H ATOM 57 N THR A 5 1.040 3.781 2.088 1.00 0.00 N ATOM 58 CA THR A 5 0.713 2.377 2.492 1.00 0.00 C ATOM 59 C THR A 5 -0.392 1.774 1.549 1.00 0.00 C ATOM 60 O THR A 5 -0.984 0.741 1.857 1.00 0.00 O ATOM 61 CB THR A 5 0.525 2.175 4.011 1.00 0.00 C ATOM 62 OG1 THR A 5 1.414 2.981 4.779 1.00 0.00 O ATOM 63 CG2 THR A 5 0.781 0.728 4.476 1.00 0.00 C ATOM 64 H THR A 5 0.325 4.435 1.740 1.00 0.00 H ATOM 65 HA THR A 5 1.556 1.708 2.227 1.00 0.00 H ATOM 66 HB THR A 5 -0.508 2.471 4.204 1.00 0.00 H ATOM 67 HG1 THR A 5 2.087 3.294 4.161 1.00 0.00 H ATOM 68 HG21 THR A 5 1.793 0.374 4.194 1.00 0.00 H ATOM 69 HG22 THR A 5 0.058 0.016 4.041 1.00 0.00 H ATOM 70 HG23 THR A 5 0.706 0.630 5.573 1.00 0.00 H ATOM 71 N VAL A 6 -0.568 2.315 0.316 1.00 0.00 N ATOM 72 CA VAL A 6 -1.188 1.551 -0.823 1.00 0.00 C ATOM 73 C VAL A 6 -0.334 0.265 -1.163 1.00 0.00 C ATOM 74 O VAL A 6 -0.888 -0.761 -1.565 1.00 0.00 O ATOM 75 CB VAL A 6 -1.507 2.498 -2.033 1.00 0.00 C ATOM 76 CG1 VAL A 6 -2.005 1.767 -3.303 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.591 3.551 -1.698 1.00 0.00 C ATOM 78 H VAL A 6 -0.093 3.225 0.203 1.00 0.00 H ATOM 79 HA VAL A 6 -2.130 1.120 -0.467 1.00 0.00 H ATOM 80 HB VAL A 6 -0.575 3.035 -2.304 1.00 0.00 H ATOM 81 HG11 VAL A 6 -1.253 1.056 -3.693 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.224 2.466 -4.132 1.00 0.00 H ATOM 83 HG13 VAL A 6 -2.928 1.183 -3.115 1.00 0.00 H ATOM 84 HG21 VAL A 6 -2.753 4.262 -2.529 1.00 0.00 H ATOM 85 HG22 VAL A 6 -3.568 3.085 -1.468 1.00 0.00 H ATOM 86 HG23 VAL A 6 -2.315 4.156 -0.817 1.00 0.00 H ATOM 87 N TRP A 7 0.991 0.300 -0.908 1.00 0.00 N ATOM 88 CA TRP A 7 1.836 -0.927 -0.898 1.00 0.00 C ATOM 89 C TRP A 7 1.463 -2.011 0.180 1.00 0.00 C ATOM 90 O TRP A 7 1.561 -3.205 -0.089 1.00 0.00 O ATOM 91 CB TRP A 7 3.325 -0.486 -0.841 1.00 0.00 C ATOM 92 CG TRP A 7 3.941 -0.133 0.533 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.920 1.132 1.148 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.477 -0.991 1.489 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.483 1.100 2.438 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.803 -0.227 2.636 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.544 -2.409 1.538 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.226 -0.867 3.823 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.975 -3.021 2.715 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.319 -2.260 3.840 1.00 0.00 C ATOM 101 H TRP A 7 1.238 1.189 -0.431 1.00 0.00 H ATOM 102 HA TRP A 7 1.675 -1.435 -1.861 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.916 -1.310 -1.273 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.485 0.354 -1.545 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.340 1.971 0.785 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.493 1.854 3.136 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.160 -3.000 0.724 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.443 -0.289 4.710 1.00 0.00 H ATOM 109 HZ3 TRP A 7 5.002 -4.100 2.772 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.629 -2.762 4.745 1.00 0.00 H ATOM 111 N GLY A 8 1.089 -1.577 1.394 1.00 0.00 N ATOM 112 CA GLY A 8 0.674 -2.487 2.506 1.00 0.00 C ATOM 113 C GLY A 8 -0.800 -2.934 2.561 1.00 0.00 C ATOM 114 O GLY A 8 -1.118 -4.004 3.072 1.00 0.00 O ATOM 115 H GLY A 8 0.821 -0.591 1.328 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.277 -3.391 2.443 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.943 -2.062 3.472 1.00 0.00 H ATOM 118 N PHE A 9 -1.694 -2.103 2.025 1.00 0.00 N ATOM 119 CA PHE A 9 -3.072 -2.526 1.607 1.00 0.00 C ATOM 120 C PHE A 9 -3.068 -3.809 0.682 1.00 0.00 C ATOM 121 O PHE A 9 -3.792 -4.785 0.883 1.00 0.00 O ATOM 122 CB PHE A 9 -3.643 -1.273 0.881 1.00 0.00 C ATOM 123 CG PHE A 9 -5.139 -1.315 0.569 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.073 -0.903 1.524 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.583 -1.761 -0.680 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.436 -0.943 1.234 1.00 0.00 C ATOM 127 CE2 PHE A 9 -6.944 -1.802 -0.968 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.868 -1.392 -0.012 1.00 0.00 C ATOM 129 H PHE A 9 -1.246 -1.215 1.760 1.00 0.00 H ATOM 130 HA PHE A 9 -3.668 -2.763 2.502 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.414 -0.368 1.462 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.083 -1.098 -0.058 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.747 -0.558 2.495 1.00 0.00 H ATOM 134 HD2 PHE A 9 -4.875 -2.095 -1.426 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.156 -0.630 1.977 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.284 -2.158 -1.931 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.925 -1.428 -0.233 1.00 0.00 H ATOM 138 N LEU A 10 -2.180 -3.739 -0.314 1.00 0.00 N ATOM 139 CA LEU A 10 -1.795 -4.871 -1.198 1.00 0.00 C ATOM 140 C LEU A 10 -0.997 -6.029 -0.509 1.00 0.00 C ATOM 141 O LEU A 10 -1.285 -7.211 -0.713 1.00 0.00 O ATOM 142 CB LEU A 10 -0.967 -4.232 -2.354 1.00 0.00 C ATOM 143 CG LEU A 10 -0.854 -5.040 -3.671 1.00 0.00 C ATOM 144 CD1 LEU A 10 -2.201 -5.180 -4.401 1.00 0.00 C ATOM 145 CD2 LEU A 10 0.147 -4.355 -4.617 1.00 0.00 C ATOM 146 H LEU A 10 -1.695 -2.836 -0.233 1.00 0.00 H ATOM 147 HA LEU A 10 -2.712 -5.324 -1.589 1.00 0.00 H ATOM 148 HB2 LEU A 10 -1.337 -3.220 -2.569 1.00 0.00 H ATOM 149 HB3 LEU A 10 0.051 -4.023 -1.975 1.00 0.00 H ATOM 150 HG LEU A 10 -0.464 -6.052 -3.437 1.00 0.00 H ATOM 151 HD11 LEU A 10 -2.094 -5.723 -5.358 1.00 0.00 H ATOM 152 HD12 LEU A 10 -2.937 -5.749 -3.804 1.00 0.00 H ATOM 153 HD13 LEU A 10 -2.656 -4.198 -4.631 1.00 0.00 H ATOM 154 HD21 LEU A 10 -0.176 -3.337 -4.907 1.00 0.00 H ATOM 155 HD22 LEU A 10 1.146 -4.261 -4.152 1.00 0.00 H ATOM 156 HD23 LEU A 10 0.292 -4.932 -5.549 1.00 0.00 H ATOM 157 N HIS A 11 0.012 -5.659 0.288 1.00 0.00 N ATOM 158 CA HIS A 11 0.916 -6.626 0.983 1.00 0.00 C ATOM 159 C HIS A 11 0.830 -6.476 2.550 1.00 0.00 C ATOM 160 O HIS A 11 1.669 -5.779 3.137 1.00 0.00 O ATOM 161 CB HIS A 11 2.367 -6.463 0.449 1.00 0.00 C ATOM 162 CG HIS A 11 2.599 -6.671 -1.047 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.380 -7.857 -1.713 1.00 0.00 N ATOM 164 CD2 HIS A 11 3.022 -5.686 -1.953 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.673 -7.471 -2.994 1.00 0.00 C ATOM 166 NE2 HIS A 11 3.087 -6.189 -3.246 1.00 0.00 N ATOM 167 H HIS A 11 0.083 -4.627 0.294 1.00 0.00 H ATOM 168 HA HIS A 11 0.616 -7.665 0.753 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.727 -5.463 0.744 1.00 0.00 H ATOM 170 HB3 HIS A 11 3.031 -7.162 0.990 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.943 -8.719 -1.376 1.00 0.00 H ATOM 172 HD2 HIS A 11 3.235 -4.661 -1.685 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.555 -8.165 -3.817 1.00 0.00 H ATOM 174 N PRO A 12 -0.123 -7.129 3.283 1.00 0.00 N ATOM 175 CA PRO A 12 -0.267 -6.948 4.757 1.00 0.00 C ATOM 176 C PRO A 12 0.718 -7.805 5.624 1.00 0.00 C ATOM 177 O PRO A 12 0.405 -8.858 6.175 1.00 0.00 O ATOM 178 CB PRO A 12 -1.765 -7.274 4.939 1.00 0.00 C ATOM 179 CG PRO A 12 -2.085 -8.312 3.859 1.00 0.00 C ATOM 180 CD PRO A 12 -1.235 -7.877 2.666 1.00 0.00 C ATOM 181 HA PRO A 12 -0.121 -5.885 5.036 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.014 -7.627 5.957 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.368 -6.358 4.769 1.00 0.00 H ATOM 184 HG2 PRO A 12 -1.777 -9.321 4.199 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.162 -8.363 3.616 1.00 0.00 H ATOM 186 HD2 PRO A 12 -0.876 -8.739 2.074 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.805 -7.221 1.979 1.00 0.00 H HETATM 188 N NH2 A 13 1.950 -7.375 5.789 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.549 -8.050 6.271 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.229 -6.633 5.137 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 9 ATOM 1 N SER A 1 2.171 6.596 4.852 1.00 0.00 N ATOM 2 CA SER A 1 0.909 6.621 5.638 1.00 0.00 C ATOM 3 C SER A 1 -0.303 6.954 4.722 1.00 0.00 C ATOM 4 O SER A 1 -0.534 8.112 4.362 1.00 0.00 O ATOM 5 CB SER A 1 1.064 7.608 6.816 1.00 0.00 C ATOM 6 OG SER A 1 2.089 7.175 7.708 1.00 0.00 O ATOM 7 H1 SER A 1 2.091 5.922 4.082 1.00 0.00 H ATOM 8 H2 SER A 1 2.322 7.510 4.407 1.00 0.00 H ATOM 9 HA SER A 1 0.760 5.616 6.081 1.00 0.00 H ATOM 10 HB2 SER A 1 1.283 8.634 6.455 1.00 0.00 H ATOM 11 HB3 SER A 1 0.113 7.689 7.380 1.00 0.00 H ATOM 12 HG SER A 1 2.845 6.946 7.157 1.00 0.00 H ATOM 13 N ASP A 2 -1.104 5.940 4.355 1.00 0.00 N ATOM 14 CA ASP A 2 -2.302 6.076 3.454 1.00 0.00 C ATOM 15 C ASP A 2 -1.893 6.087 1.949 1.00 0.00 C ATOM 16 O ASP A 2 -2.000 5.070 1.262 1.00 0.00 O ATOM 17 CB ASP A 2 -3.347 7.165 3.856 1.00 0.00 C ATOM 18 CG ASP A 2 -3.871 7.093 5.284 1.00 0.00 C ATOM 19 OD1 ASP A 2 -4.889 6.491 5.601 1.00 0.00 O ATOM 20 OD2 ASP A 2 -3.071 7.777 6.152 1.00 0.00 O ATOM 21 H ASP A 2 -0.758 5.022 4.665 1.00 0.00 H ATOM 22 HA ASP A 2 -2.828 5.120 3.541 1.00 0.00 H ATOM 23 HB2 ASP A 2 -2.955 8.181 3.671 1.00 0.00 H ATOM 24 HB3 ASP A 2 -4.223 7.087 3.187 1.00 0.00 H ATOM 25 HD2 ASP A 2 -2.307 8.123 5.687 1.00 0.00 H ATOM 26 N MET A 3 -1.386 7.224 1.453 1.00 0.00 N ATOM 27 CA MET A 3 -0.818 7.330 0.068 1.00 0.00 C ATOM 28 C MET A 3 0.446 6.432 -0.162 1.00 0.00 C ATOM 29 O MET A 3 0.513 5.659 -1.119 1.00 0.00 O ATOM 30 CB MET A 3 -0.685 8.823 -0.350 1.00 0.00 C ATOM 31 CG MET A 3 0.439 9.675 0.285 1.00 0.00 C ATOM 32 SD MET A 3 0.197 9.872 2.061 1.00 0.00 S ATOM 33 CE MET A 3 1.892 10.193 2.570 1.00 0.00 C ATOM 34 H MET A 3 -1.155 7.856 2.223 1.00 0.00 H ATOM 35 HA MET A 3 -1.563 6.886 -0.608 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.544 8.850 -1.447 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.655 9.334 -0.194 1.00 0.00 H ATOM 38 HG2 MET A 3 1.430 9.231 0.080 1.00 0.00 H ATOM 39 HG3 MET A 3 0.465 10.683 -0.173 1.00 0.00 H ATOM 40 HE1 MET A 3 2.284 11.104 2.083 1.00 0.00 H ATOM 41 HE2 MET A 3 2.552 9.346 2.304 1.00 0.00 H ATOM 42 HE3 MET A 3 1.944 10.336 3.664 1.00 0.00 H ATOM 43 N THR A 4 1.393 6.478 0.784 1.00 0.00 N ATOM 44 CA THR A 4 2.536 5.506 0.855 1.00 0.00 C ATOM 45 C THR A 4 2.281 4.359 1.891 1.00 0.00 C ATOM 46 O THR A 4 3.084 4.013 2.761 1.00 0.00 O ATOM 47 CB THR A 4 3.899 6.233 1.025 1.00 0.00 C ATOM 48 OG1 THR A 4 3.957 6.974 2.240 1.00 0.00 O ATOM 49 CG2 THR A 4 4.206 7.192 -0.130 1.00 0.00 C ATOM 50 H THR A 4 1.086 7.077 1.552 1.00 0.00 H ATOM 51 HA THR A 4 2.601 4.925 -0.098 1.00 0.00 H ATOM 52 HB THR A 4 4.703 5.468 1.042 1.00 0.00 H ATOM 53 HG1 THR A 4 3.958 6.330 2.956 1.00 0.00 H ATOM 54 HG21 THR A 4 3.473 8.019 -0.161 1.00 0.00 H ATOM 55 HG22 THR A 4 5.208 7.638 -0.027 1.00 0.00 H ATOM 56 HG23 THR A 4 4.149 6.676 -1.106 1.00 0.00 H ATOM 57 N THR A 5 1.098 3.777 1.733 1.00 0.00 N ATOM 58 CA THR A 5 0.678 2.452 2.261 1.00 0.00 C ATOM 59 C THR A 5 -0.356 1.784 1.278 1.00 0.00 C ATOM 60 O THR A 5 -0.933 0.752 1.622 1.00 0.00 O ATOM 61 CB THR A 5 0.262 2.429 3.750 1.00 0.00 C ATOM 62 OG1 THR A 5 0.914 3.422 4.537 1.00 0.00 O ATOM 63 CG2 THR A 5 0.565 1.080 4.428 1.00 0.00 C ATOM 64 H THR A 5 0.429 4.421 1.288 1.00 0.00 H ATOM 65 HA THR A 5 1.522 1.741 2.170 1.00 0.00 H ATOM 66 HB THR A 5 -0.814 2.620 3.732 1.00 0.00 H ATOM 67 HG1 THR A 5 1.839 3.405 4.261 1.00 0.00 H ATOM 68 HG21 THR A 5 0.004 0.248 3.961 1.00 0.00 H ATOM 69 HG22 THR A 5 0.295 1.081 5.499 1.00 0.00 H ATOM 70 HG23 THR A 5 1.638 0.809 4.364 1.00 0.00 H ATOM 71 N VAL A 6 -0.521 2.257 0.011 1.00 0.00 N ATOM 72 CA VAL A 6 -1.143 1.431 -1.085 1.00 0.00 C ATOM 73 C VAL A 6 -0.342 0.086 -1.303 1.00 0.00 C ATOM 74 O VAL A 6 -0.927 -0.959 -1.589 1.00 0.00 O ATOM 75 CB VAL A 6 -1.368 2.290 -2.378 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.998 1.494 -3.547 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.279 3.523 -2.157 1.00 0.00 C ATOM 78 H VAL A 6 -0.083 3.174 -0.168 1.00 0.00 H ATOM 79 HA VAL A 6 -2.119 1.081 -0.730 1.00 0.00 H ATOM 80 HB VAL A 6 -0.379 2.658 -2.721 1.00 0.00 H ATOM 81 HG11 VAL A 6 -2.990 1.081 -3.284 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.133 2.115 -4.452 1.00 0.00 H ATOM 83 HG13 VAL A 6 -1.369 0.638 -3.855 1.00 0.00 H ATOM 84 HG21 VAL A 6 -2.398 4.126 -3.076 1.00 0.00 H ATOM 85 HG22 VAL A 6 -3.294 3.237 -1.818 1.00 0.00 H ATOM 86 HG23 VAL A 6 -1.871 4.209 -1.392 1.00 0.00 H ATOM 87 N TRP A 7 0.981 0.115 -1.062 1.00 0.00 N ATOM 88 CA TRP A 7 1.814 -1.111 -0.932 1.00 0.00 C ATOM 89 C TRP A 7 1.450 -2.097 0.238 1.00 0.00 C ATOM 90 O TRP A 7 1.599 -3.306 0.089 1.00 0.00 O ATOM 91 CB TRP A 7 3.292 -0.645 -0.901 1.00 0.00 C ATOM 92 CG TRP A 7 3.855 -0.066 0.419 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.780 1.275 0.849 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.403 -0.760 1.492 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.358 1.449 2.120 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.712 0.174 2.512 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.484 -2.152 1.756 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.143 -0.272 3.782 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.924 -2.573 3.012 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.259 -1.646 4.007 1.00 0.00 C ATOM 101 H TRP A 7 1.237 1.033 -0.655 1.00 0.00 H ATOM 102 HA TRP A 7 1.665 -1.704 -1.847 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.903 -1.519 -1.180 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.463 0.075 -1.724 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.128 2.018 0.403 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.323 2.293 2.709 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.084 -2.861 1.048 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.349 0.435 4.572 1.00 0.00 H ATOM 109 HZ3 TRP A 7 4.963 -3.631 3.232 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.575 -2.001 4.978 1.00 0.00 H ATOM 111 N GLY A 8 1.039 -1.569 1.401 1.00 0.00 N ATOM 112 CA GLY A 8 0.578 -2.393 2.564 1.00 0.00 C ATOM 113 C GLY A 8 -0.895 -2.851 2.555 1.00 0.00 C ATOM 114 O GLY A 8 -1.234 -3.903 3.089 1.00 0.00 O ATOM 115 H GLY A 8 0.738 -0.603 1.238 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.183 -3.301 2.609 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.782 -1.883 3.507 1.00 0.00 H ATOM 118 N PHE A 9 -1.761 -2.052 1.927 1.00 0.00 N ATOM 119 CA PHE A 9 -3.106 -2.512 1.450 1.00 0.00 C ATOM 120 C PHE A 9 -3.029 -3.813 0.555 1.00 0.00 C ATOM 121 O PHE A 9 -3.763 -4.786 0.731 1.00 0.00 O ATOM 122 CB PHE A 9 -3.700 -1.298 0.678 1.00 0.00 C ATOM 123 CG PHE A 9 -5.218 -1.331 0.487 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.061 -0.765 1.448 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.774 -1.920 -0.655 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.443 -0.789 1.271 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.155 -1.943 -0.830 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.988 -1.378 0.133 1.00 0.00 C ATOM 129 H PHE A 9 -1.297 -1.177 1.644 1.00 0.00 H ATOM 130 HA PHE A 9 -3.729 -2.756 2.325 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.414 -0.355 1.170 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.209 -1.203 -0.310 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.648 -0.309 2.337 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.136 -2.371 -1.402 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.092 -0.355 2.018 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.580 -2.408 -1.708 1.00 0.00 H ATOM 137 HZ PHE A 9 -9.060 -1.401 -0.002 1.00 0.00 H ATOM 138 N LEU A 10 -2.074 -3.773 -0.381 1.00 0.00 N ATOM 139 CA LEU A 10 -1.625 -4.940 -1.191 1.00 0.00 C ATOM 140 C LEU A 10 -0.898 -6.086 -0.404 1.00 0.00 C ATOM 141 O LEU A 10 -1.170 -7.269 -0.628 1.00 0.00 O ATOM 142 CB LEU A 10 -0.713 -4.396 -2.333 1.00 0.00 C ATOM 143 CG LEU A 10 -1.412 -3.662 -3.509 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.365 -2.967 -4.393 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.244 -4.617 -4.382 1.00 0.00 C ATOM 146 H LEU A 10 -1.595 -2.867 -0.304 1.00 0.00 H ATOM 147 HA LEU A 10 -2.506 -5.429 -1.616 1.00 0.00 H ATOM 148 HB2 LEU A 10 0.057 -3.735 -1.883 1.00 0.00 H ATOM 149 HB3 LEU A 10 -0.104 -5.222 -2.743 1.00 0.00 H ATOM 150 HG LEU A 10 -2.083 -2.880 -3.097 1.00 0.00 H ATOM 151 HD11 LEU A 10 -0.833 -2.423 -5.234 1.00 0.00 H ATOM 152 HD12 LEU A 10 0.215 -2.219 -3.821 1.00 0.00 H ATOM 153 HD13 LEU A 10 0.359 -3.683 -4.826 1.00 0.00 H ATOM 154 HD21 LEU A 10 -3.064 -5.090 -3.811 1.00 0.00 H ATOM 155 HD22 LEU A 10 -2.721 -4.089 -5.229 1.00 0.00 H ATOM 156 HD23 LEU A 10 -1.631 -5.434 -4.807 1.00 0.00 H ATOM 157 N HIS A 11 0.033 -5.730 0.489 1.00 0.00 N ATOM 158 CA HIS A 11 0.860 -6.704 1.259 1.00 0.00 C ATOM 159 C HIS A 11 0.711 -6.454 2.807 1.00 0.00 C ATOM 160 O HIS A 11 1.548 -5.747 3.389 1.00 0.00 O ATOM 161 CB HIS A 11 2.337 -6.631 0.773 1.00 0.00 C ATOM 162 CG HIS A 11 2.597 -6.919 -0.706 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.472 -8.160 -1.289 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.875 -5.954 -1.689 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.657 -7.826 -2.605 1.00 0.00 C ATOM 166 NE2 HIS A 11 2.919 -6.527 -2.953 1.00 0.00 N ATOM 167 H HIS A 11 0.100 -4.706 0.560 1.00 0.00 H ATOM 168 HA HIS A 11 0.520 -7.739 1.069 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.731 -5.633 1.030 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.951 -7.329 1.371 1.00 0.00 H ATOM 171 HD1 HIS A 11 2.127 -9.034 -0.883 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.973 -4.896 -1.495 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.567 -8.577 -3.380 1.00 0.00 H ATOM 174 N PRO A 12 -0.303 -7.020 3.529 1.00 0.00 N ATOM 175 CA PRO A 12 -0.509 -6.744 4.980 1.00 0.00 C ATOM 176 C PRO A 12 0.393 -7.588 5.944 1.00 0.00 C ATOM 177 O PRO A 12 0.006 -8.589 6.542 1.00 0.00 O ATOM 178 CB PRO A 12 -2.027 -6.992 5.106 1.00 0.00 C ATOM 179 CG PRO A 12 -2.345 -8.078 4.074 1.00 0.00 C ATOM 180 CD PRO A 12 -1.420 -7.754 2.901 1.00 0.00 C ATOM 181 HA PRO A 12 -0.327 -5.674 5.204 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.340 -7.272 6.130 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.578 -6.063 4.853 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.101 -9.077 4.487 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.411 -8.096 3.781 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.073 -8.666 2.380 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.924 -7.118 2.148 1.00 0.00 H HETATM 188 N NH2 A 13 1.636 -7.205 6.143 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.180 -7.873 6.694 1.00 0.00 H HETATM 190 HN2 NH2 A 13 1.980 -6.517 5.464 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 10 ATOM 1 N SER A 1 2.794 8.669 5.193 1.00 0.00 N ATOM 2 CA SER A 1 1.520 9.156 4.604 1.00 0.00 C ATOM 3 C SER A 1 0.560 8.013 4.148 1.00 0.00 C ATOM 4 O SER A 1 0.996 6.923 3.768 1.00 0.00 O ATOM 5 CB SER A 1 1.853 10.154 3.464 1.00 0.00 C ATOM 6 OG SER A 1 2.262 9.503 2.257 1.00 0.00 O ATOM 7 H1 SER A 1 3.388 9.458 5.474 1.00 0.00 H ATOM 8 H2 SER A 1 3.341 8.151 4.496 1.00 0.00 H ATOM 9 HA SER A 1 1.008 9.723 5.407 1.00 0.00 H ATOM 10 HB2 SER A 1 0.961 10.770 3.240 1.00 0.00 H ATOM 11 HB3 SER A 1 2.625 10.886 3.779 1.00 0.00 H ATOM 12 HG SER A 1 2.907 8.813 2.479 1.00 0.00 H ATOM 13 N ASP A 2 -0.757 8.295 4.117 1.00 0.00 N ATOM 14 CA ASP A 2 -1.801 7.322 3.644 1.00 0.00 C ATOM 15 C ASP A 2 -1.613 6.732 2.206 1.00 0.00 C ATOM 16 O ASP A 2 -1.727 5.523 1.995 1.00 0.00 O ATOM 17 CB ASP A 2 -3.197 7.977 3.807 1.00 0.00 C ATOM 18 CG ASP A 2 -3.679 8.132 5.245 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.537 9.166 5.887 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.267 6.997 5.723 1.00 0.00 O ATOM 21 H ASP A 2 -1.003 9.182 4.568 1.00 0.00 H ATOM 22 HA ASP A 2 -1.735 6.430 4.286 1.00 0.00 H ATOM 23 HB2 ASP A 2 -3.213 8.976 3.331 1.00 0.00 H ATOM 24 HB3 ASP A 2 -3.952 7.406 3.238 1.00 0.00 H ATOM 25 HD2 ASP A 2 -4.262 6.300 5.068 1.00 0.00 H ATOM 26 N MET A 3 -1.311 7.598 1.234 1.00 0.00 N ATOM 27 CA MET A 3 -0.863 7.177 -0.135 1.00 0.00 C ATOM 28 C MET A 3 0.400 6.235 -0.182 1.00 0.00 C ATOM 29 O MET A 3 0.475 5.319 -1.005 1.00 0.00 O ATOM 30 CB MET A 3 -0.751 8.433 -1.043 1.00 0.00 C ATOM 31 CG MET A 3 0.341 9.473 -0.695 1.00 0.00 C ATOM 32 SD MET A 3 0.343 10.816 -1.900 1.00 0.00 S ATOM 33 CE MET A 3 1.461 10.140 -3.140 1.00 0.00 C ATOM 34 H MET A 3 -1.213 8.535 1.633 1.00 0.00 H ATOM 35 HA MET A 3 -1.669 6.553 -0.548 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.585 8.089 -2.083 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.733 8.943 -1.082 1.00 0.00 H ATOM 38 HG2 MET A 3 0.171 9.906 0.308 1.00 0.00 H ATOM 39 HG3 MET A 3 1.346 9.013 -0.652 1.00 0.00 H ATOM 40 HE1 MET A 3 1.577 10.845 -3.981 1.00 0.00 H ATOM 41 HE2 MET A 3 1.078 9.186 -3.541 1.00 0.00 H ATOM 42 HE3 MET A 3 2.460 9.955 -2.705 1.00 0.00 H ATOM 43 N THR A 4 1.346 6.422 0.751 1.00 0.00 N ATOM 44 CA THR A 4 2.510 5.495 0.968 1.00 0.00 C ATOM 45 C THR A 4 2.247 4.320 1.974 1.00 0.00 C ATOM 46 O THR A 4 3.077 3.908 2.786 1.00 0.00 O ATOM 47 CB THR A 4 3.790 6.309 1.318 1.00 0.00 C ATOM 48 OG1 THR A 4 3.591 7.126 2.472 1.00 0.00 O ATOM 49 CG2 THR A 4 4.266 7.200 0.166 1.00 0.00 C ATOM 50 H THR A 4 1.012 7.076 1.466 1.00 0.00 H ATOM 51 HA THR A 4 2.707 4.928 0.027 1.00 0.00 H ATOM 52 HB THR A 4 4.613 5.598 1.535 1.00 0.00 H ATOM 53 HG1 THR A 4 3.041 6.609 3.078 1.00 0.00 H ATOM 54 HG21 THR A 4 3.512 7.970 -0.084 1.00 0.00 H ATOM 55 HG22 THR A 4 5.207 7.716 0.420 1.00 0.00 H ATOM 56 HG23 THR A 4 4.439 6.606 -0.751 1.00 0.00 H ATOM 57 N THR A 5 1.049 3.763 1.867 1.00 0.00 N ATOM 58 CA THR A 5 0.671 2.401 2.336 1.00 0.00 C ATOM 59 C THR A 5 -0.373 1.766 1.340 1.00 0.00 C ATOM 60 O THR A 5 -0.974 0.738 1.653 1.00 0.00 O ATOM 61 CB THR A 5 0.321 2.297 3.838 1.00 0.00 C ATOM 62 OG1 THR A 5 1.083 3.187 4.649 1.00 0.00 O ATOM 63 CG2 THR A 5 0.565 0.892 4.419 1.00 0.00 C ATOM 64 H THR A 5 0.354 4.423 1.492 1.00 0.00 H ATOM 65 HA THR A 5 1.526 1.713 2.191 1.00 0.00 H ATOM 66 HB THR A 5 -0.737 2.565 3.889 1.00 0.00 H ATOM 67 HG1 THR A 5 1.861 3.428 4.128 1.00 0.00 H ATOM 68 HG21 THR A 5 0.357 0.853 5.503 1.00 0.00 H ATOM 69 HG22 THR A 5 -0.071 0.125 3.943 1.00 0.00 H ATOM 70 HG23 THR A 5 1.618 0.564 4.285 1.00 0.00 H ATOM 71 N VAL A 6 -0.509 2.266 0.080 1.00 0.00 N ATOM 72 CA VAL A 6 -1.116 1.468 -1.043 1.00 0.00 C ATOM 73 C VAL A 6 -0.286 0.148 -1.307 1.00 0.00 C ATOM 74 O VAL A 6 -0.847 -0.886 -1.674 1.00 0.00 O ATOM 75 CB VAL A 6 -1.369 2.375 -2.298 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.922 1.610 -3.524 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.368 3.527 -2.027 1.00 0.00 C ATOM 78 H VAL A 6 0.010 3.146 -0.082 1.00 0.00 H ATOM 79 HA VAL A 6 -2.084 1.081 -0.701 1.00 0.00 H ATOM 80 HB VAL A 6 -0.401 2.827 -2.595 1.00 0.00 H ATOM 81 HG11 VAL A 6 -2.085 2.274 -4.395 1.00 0.00 H ATOM 82 HG12 VAL A 6 -1.228 0.821 -3.869 1.00 0.00 H ATOM 83 HG13 VAL A 6 -2.886 1.112 -3.307 1.00 0.00 H ATOM 84 HG21 VAL A 6 -3.373 3.154 -1.754 1.00 0.00 H ATOM 85 HG22 VAL A 6 -2.033 4.177 -1.198 1.00 0.00 H ATOM 86 HG23 VAL A 6 -2.491 4.188 -2.906 1.00 0.00 H ATOM 87 N TRP A 7 1.032 0.180 -1.024 1.00 0.00 N ATOM 88 CA TRP A 7 1.872 -1.044 -0.933 1.00 0.00 C ATOM 89 C TRP A 7 1.490 -2.075 0.193 1.00 0.00 C ATOM 90 O TRP A 7 1.629 -3.279 -0.005 1.00 0.00 O ATOM 91 CB TRP A 7 3.350 -0.575 -0.861 1.00 0.00 C ATOM 92 CG TRP A 7 3.904 -0.079 0.497 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.834 1.236 0.997 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.435 -0.835 1.538 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.384 1.336 2.289 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.726 0.038 2.614 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.521 -2.240 1.721 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.135 -0.481 3.864 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.940 -2.732 2.957 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.250 -1.864 4.011 1.00 0.00 C ATOM 101 H TRP A 7 1.264 1.079 -0.562 1.00 0.00 H ATOM 102 HA TRP A 7 1.738 -1.601 -1.873 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.971 -1.425 -1.189 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.528 0.199 -1.633 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.213 2.015 0.572 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.339 2.147 2.921 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.152 -2.911 0.962 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.325 0.181 4.696 1.00 0.00 H ATOM 109 HZ3 TRP A 7 4.982 -3.801 3.116 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.552 -2.274 4.964 1.00 0.00 H ATOM 111 N GLY A 8 1.069 -1.587 1.371 1.00 0.00 N ATOM 112 CA GLY A 8 0.626 -2.445 2.514 1.00 0.00 C ATOM 113 C GLY A 8 -0.851 -2.885 2.552 1.00 0.00 C ATOM 114 O GLY A 8 -1.186 -3.932 3.101 1.00 0.00 O ATOM 115 H GLY A 8 0.795 -0.608 1.248 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.222 -3.359 2.507 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.874 -1.977 3.465 1.00 0.00 H ATOM 118 N PHE A 9 -1.730 -2.078 1.956 1.00 0.00 N ATOM 119 CA PHE A 9 -3.094 -2.521 1.516 1.00 0.00 C ATOM 120 C PHE A 9 -3.055 -3.834 0.634 1.00 0.00 C ATOM 121 O PHE A 9 -3.777 -4.808 0.847 1.00 0.00 O ATOM 122 CB PHE A 9 -3.653 -1.297 0.734 1.00 0.00 C ATOM 123 CG PHE A 9 -5.140 -1.365 0.380 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.107 -0.942 1.296 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.542 -1.849 -0.870 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.459 -1.008 0.969 1.00 0.00 C ATOM 127 CE2 PHE A 9 -6.895 -1.916 -1.195 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.851 -1.496 -0.276 1.00 0.00 C ATOM 129 H PHE A 9 -1.271 -1.204 1.664 1.00 0.00 H ATOM 130 HA PHE A 9 -3.713 -2.735 2.402 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.449 -0.373 1.293 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.067 -1.145 -0.192 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.813 -0.568 2.267 1.00 0.00 H ATOM 134 HD2 PHE A 9 -4.808 -2.193 -1.585 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.205 -0.685 1.683 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.200 -2.302 -2.156 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.900 -1.552 -0.526 1.00 0.00 H ATOM 138 N LEU A 10 -2.140 -3.789 -0.339 1.00 0.00 N ATOM 139 CA LEU A 10 -1.718 -4.948 -1.171 1.00 0.00 C ATOM 140 C LEU A 10 -0.962 -6.089 -0.412 1.00 0.00 C ATOM 141 O LEU A 10 -1.256 -7.275 -0.585 1.00 0.00 O ATOM 142 CB LEU A 10 -0.830 -4.345 -2.301 1.00 0.00 C ATOM 143 CG LEU A 10 -0.629 -5.199 -3.578 1.00 0.00 C ATOM 144 CD1 LEU A 10 -1.930 -5.392 -4.376 1.00 0.00 C ATOM 145 CD2 LEU A 10 0.414 -4.534 -4.490 1.00 0.00 C ATOM 146 H LEU A 10 -1.667 -2.879 -0.277 1.00 0.00 H ATOM 147 HA LEU A 10 -2.617 -5.407 -1.596 1.00 0.00 H ATOM 148 HB2 LEU A 10 -1.199 -3.348 -2.578 1.00 0.00 H ATOM 149 HB3 LEU A 10 0.163 -4.108 -1.871 1.00 0.00 H ATOM 150 HG LEU A 10 -0.237 -6.195 -3.282 1.00 0.00 H ATOM 151 HD11 LEU A 10 -2.387 -4.429 -4.669 1.00 0.00 H ATOM 152 HD12 LEU A 10 -1.759 -5.969 -5.304 1.00 0.00 H ATOM 153 HD13 LEU A 10 -2.689 -5.952 -3.800 1.00 0.00 H ATOM 154 HD21 LEU A 10 0.093 -3.533 -4.837 1.00 0.00 H ATOM 155 HD22 LEU A 10 1.384 -4.405 -3.974 1.00 0.00 H ATOM 156 HD23 LEU A 10 0.620 -5.143 -5.389 1.00 0.00 H ATOM 157 N HIS A 11 0.021 -5.702 0.411 1.00 0.00 N ATOM 158 CA HIS A 11 0.883 -6.652 1.176 1.00 0.00 C ATOM 159 C HIS A 11 0.735 -6.442 2.732 1.00 0.00 C ATOM 160 O HIS A 11 1.558 -5.729 3.324 1.00 0.00 O ATOM 161 CB HIS A 11 2.356 -6.528 0.694 1.00 0.00 C ATOM 162 CG HIS A 11 2.643 -6.797 -0.782 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.434 -8.005 -1.410 1.00 0.00 N ATOM 164 CD2 HIS A 11 3.119 -5.854 -1.708 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.784 -7.675 -2.692 1.00 0.00 C ATOM 166 NE2 HIS A 11 3.229 -6.409 -2.976 1.00 0.00 N ATOM 167 H HIS A 11 0.105 -4.672 0.379 1.00 0.00 H ATOM 168 HA HIS A 11 0.579 -7.697 0.972 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.716 -5.521 0.965 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.989 -7.213 1.288 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.969 -8.847 -1.058 1.00 0.00 H ATOM 172 HD2 HIS A 11 3.339 -4.823 -1.470 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.691 -8.398 -3.492 1.00 0.00 H ATOM 174 N PRO A 12 -0.253 -7.057 3.449 1.00 0.00 N ATOM 175 CA PRO A 12 -0.454 -6.819 4.908 1.00 0.00 C ATOM 176 C PRO A 12 0.485 -7.652 5.845 1.00 0.00 C ATOM 177 O PRO A 12 0.139 -8.681 6.422 1.00 0.00 O ATOM 178 CB PRO A 12 -1.961 -7.122 5.041 1.00 0.00 C ATOM 179 CG PRO A 12 -2.250 -8.197 3.990 1.00 0.00 C ATOM 180 CD PRO A 12 -1.348 -7.816 2.817 1.00 0.00 C ATOM 181 HA PRO A 12 -0.307 -5.748 5.152 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.254 -7.435 6.061 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.546 -6.208 4.813 1.00 0.00 H ATOM 184 HG2 PRO A 12 -1.968 -9.195 4.379 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.317 -8.246 3.705 1.00 0.00 H ATOM 186 HD2 PRO A 12 -0.977 -8.704 2.271 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.882 -7.182 2.082 1.00 0.00 H HETATM 188 N NH2 A 13 1.715 -7.229 6.044 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.029 -6.515 5.378 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.287 -7.891 6.575 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 11 ATOM 1 N SER A 1 -8.016 5.752 2.098 1.00 0.00 N ATOM 2 CA SER A 1 -7.354 5.142 3.284 1.00 0.00 C ATOM 3 C SER A 1 -5.798 5.270 3.347 1.00 0.00 C ATOM 4 O SER A 1 -5.261 5.436 4.444 1.00 0.00 O ATOM 5 CB SER A 1 -7.805 3.667 3.395 1.00 0.00 C ATOM 6 OG SER A 1 -7.333 3.094 4.615 1.00 0.00 O ATOM 7 H1 SER A 1 -9.036 5.663 2.173 1.00 0.00 H ATOM 8 H2 SER A 1 -7.829 6.761 2.060 1.00 0.00 H ATOM 9 HA SER A 1 -7.738 5.670 4.178 1.00 0.00 H ATOM 10 HB2 SER A 1 -8.910 3.581 3.362 1.00 0.00 H ATOM 11 HB3 SER A 1 -7.432 3.073 2.535 1.00 0.00 H ATOM 12 HG SER A 1 -6.524 3.566 4.851 1.00 0.00 H ATOM 13 N ASP A 2 -5.073 5.116 2.228 1.00 0.00 N ATOM 14 CA ASP A 2 -3.582 5.167 2.199 1.00 0.00 C ATOM 15 C ASP A 2 -3.039 5.930 0.942 1.00 0.00 C ATOM 16 O ASP A 2 -3.704 6.119 -0.081 1.00 0.00 O ATOM 17 CB ASP A 2 -2.998 3.728 2.231 1.00 0.00 C ATOM 18 CG ASP A 2 -3.272 2.862 3.457 1.00 0.00 C ATOM 19 OD1 ASP A 2 -2.511 2.788 4.417 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.431 2.163 3.356 1.00 0.00 O ATOM 21 H ASP A 2 -5.645 5.044 1.379 1.00 0.00 H ATOM 22 HA ASP A 2 -3.177 5.696 3.087 1.00 0.00 H ATOM 23 HB2 ASP A 2 -3.272 3.189 1.314 1.00 0.00 H ATOM 24 HB3 ASP A 2 -1.901 3.801 2.180 1.00 0.00 H ATOM 25 HD2 ASP A 2 -4.546 1.643 4.154 1.00 0.00 H ATOM 26 N MET A 3 -1.767 6.324 1.044 1.00 0.00 N ATOM 27 CA MET A 3 -0.984 6.938 -0.070 1.00 0.00 C ATOM 28 C MET A 3 0.354 6.151 -0.196 1.00 0.00 C ATOM 29 O MET A 3 0.517 5.300 -1.074 1.00 0.00 O ATOM 30 CB MET A 3 -0.952 8.494 0.027 1.00 0.00 C ATOM 31 CG MET A 3 -0.318 9.159 1.271 1.00 0.00 C ATOM 32 SD MET A 3 -0.599 10.937 1.201 1.00 0.00 S ATOM 33 CE MET A 3 0.248 11.420 2.714 1.00 0.00 C ATOM 34 H MET A 3 -1.321 5.936 1.879 1.00 0.00 H ATOM 35 HA MET A 3 -1.474 6.712 -1.025 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.453 8.892 -0.877 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.996 8.855 -0.060 1.00 0.00 H ATOM 38 HG2 MET A 3 -0.762 8.766 2.206 1.00 0.00 H ATOM 39 HG3 MET A 3 0.771 8.979 1.323 1.00 0.00 H ATOM 40 HE1 MET A 3 -0.214 10.938 3.595 1.00 0.00 H ATOM 41 HE2 MET A 3 1.314 11.132 2.679 1.00 0.00 H ATOM 42 HE3 MET A 3 0.192 12.515 2.854 1.00 0.00 H ATOM 43 N THR A 4 1.257 6.349 0.761 1.00 0.00 N ATOM 44 CA THR A 4 2.517 5.535 0.903 1.00 0.00 C ATOM 45 C THR A 4 2.397 4.271 1.822 1.00 0.00 C ATOM 46 O THR A 4 3.394 3.748 2.313 1.00 0.00 O ATOM 47 CB THR A 4 3.720 6.456 1.269 1.00 0.00 C ATOM 48 OG1 THR A 4 3.520 7.095 2.527 1.00 0.00 O ATOM 49 CG2 THR A 4 4.008 7.544 0.228 1.00 0.00 C ATOM 50 H THR A 4 0.953 7.085 1.400 1.00 0.00 H ATOM 51 HA THR A 4 2.741 5.029 -0.068 1.00 0.00 H ATOM 52 HB THR A 4 4.631 5.828 1.337 1.00 0.00 H ATOM 53 HG1 THR A 4 3.566 6.404 3.196 1.00 0.00 H ATOM 54 HG21 THR A 4 4.906 8.125 0.496 1.00 0.00 H ATOM 55 HG22 THR A 4 4.166 7.109 -0.777 1.00 0.00 H ATOM 56 HG23 THR A 4 3.166 8.256 0.147 1.00 0.00 H ATOM 57 N THR A 5 1.171 3.778 2.012 1.00 0.00 N ATOM 58 CA THR A 5 0.886 2.356 2.355 1.00 0.00 C ATOM 59 C THR A 5 -0.228 1.807 1.394 1.00 0.00 C ATOM 60 O THR A 5 -0.920 0.850 1.737 1.00 0.00 O ATOM 61 CB THR A 5 0.738 2.008 3.865 1.00 0.00 C ATOM 62 OG1 THR A 5 0.143 3.056 4.627 1.00 0.00 O ATOM 63 CG2 THR A 5 2.071 1.612 4.520 1.00 0.00 C ATOM 64 H THR A 5 0.443 4.388 1.620 1.00 0.00 H ATOM 65 HA THR A 5 1.722 1.723 2.000 1.00 0.00 H ATOM 66 HB THR A 5 0.115 1.101 3.940 1.00 0.00 H ATOM 67 HG1 THR A 5 -0.810 2.885 4.657 1.00 0.00 H ATOM 68 HG21 THR A 5 2.536 0.745 4.007 1.00 0.00 H ATOM 69 HG22 THR A 5 2.810 2.433 4.491 1.00 0.00 H ATOM 70 HG23 THR A 5 1.939 1.315 5.574 1.00 0.00 H ATOM 71 N VAL A 6 -0.358 2.314 0.132 1.00 0.00 N ATOM 72 CA VAL A 6 -1.020 1.538 -0.976 1.00 0.00 C ATOM 73 C VAL A 6 -0.241 0.191 -1.234 1.00 0.00 C ATOM 74 O VAL A 6 -0.856 -0.841 -1.501 1.00 0.00 O ATOM 75 CB VAL A 6 -1.277 2.427 -2.242 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.834 1.649 -3.459 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.282 3.571 -1.975 1.00 0.00 C ATOM 78 H VAL A 6 0.181 3.175 -0.055 1.00 0.00 H ATOM 79 HA VAL A 6 -1.988 1.182 -0.609 1.00 0.00 H ATOM 80 HB VAL A 6 -0.312 2.879 -2.548 1.00 0.00 H ATOM 81 HG11 VAL A 6 -1.140 0.858 -3.801 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.004 2.305 -4.333 1.00 0.00 H ATOM 83 HG13 VAL A 6 -2.796 1.150 -3.233 1.00 0.00 H ATOM 84 HG21 VAL A 6 -3.286 3.198 -1.694 1.00 0.00 H ATOM 85 HG22 VAL A 6 -1.946 4.228 -1.156 1.00 0.00 H ATOM 86 HG23 VAL A 6 -2.414 4.227 -2.856 1.00 0.00 H ATOM 87 N TRP A 7 1.092 0.197 -1.043 1.00 0.00 N ATOM 88 CA TRP A 7 1.888 -1.060 -0.939 1.00 0.00 C ATOM 89 C TRP A 7 1.498 -2.045 0.227 1.00 0.00 C ATOM 90 O TRP A 7 1.591 -3.258 0.059 1.00 0.00 O ATOM 91 CB TRP A 7 3.389 -0.675 -0.953 1.00 0.00 C ATOM 92 CG TRP A 7 4.052 -0.205 0.361 1.00 0.00 C ATOM 93 CD1 TRP A 7 4.160 1.125 0.793 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.580 -0.967 1.399 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.804 1.225 2.040 1.00 0.00 N ATOM 96 CE2 TRP A 7 5.036 -0.084 2.408 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.563 -2.364 1.634 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.497 -0.590 3.644 1.00 0.00 C ATOM 99 CZ3 TRP A 7 5.034 -2.847 2.856 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.502 -1.973 3.844 1.00 0.00 C ATOM 101 H TRP A 7 1.394 1.131 -0.704 1.00 0.00 H ATOM 102 HA TRP A 7 1.688 -1.638 -1.855 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.940 -1.559 -1.311 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.559 0.084 -1.742 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.642 1.950 0.328 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.848 2.060 2.638 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.094 -3.024 0.925 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.816 0.084 4.427 1.00 0.00 H ATOM 109 HZ3 TRP A 7 5.002 -3.909 3.054 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.844 -2.372 4.789 1.00 0.00 H ATOM 111 N GLY A 8 1.109 -1.519 1.399 1.00 0.00 N ATOM 112 CA GLY A 8 0.628 -2.340 2.556 1.00 0.00 C ATOM 113 C GLY A 8 -0.856 -2.764 2.556 1.00 0.00 C ATOM 114 O GLY A 8 -1.217 -3.817 3.076 1.00 0.00 O ATOM 115 H GLY A 8 0.849 -0.539 1.251 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.208 -3.267 2.594 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.842 -1.836 3.500 1.00 0.00 H ATOM 118 N PHE A 9 -1.710 -1.931 1.959 1.00 0.00 N ATOM 119 CA PHE A 9 -3.081 -2.335 1.503 1.00 0.00 C ATOM 120 C PHE A 9 -3.073 -3.620 0.584 1.00 0.00 C ATOM 121 O PHE A 9 -3.845 -4.564 0.752 1.00 0.00 O ATOM 122 CB PHE A 9 -3.637 -1.080 0.767 1.00 0.00 C ATOM 123 CG PHE A 9 -5.157 -1.025 0.615 1.00 0.00 C ATOM 124 CD1 PHE A 9 -5.942 -0.439 1.611 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.771 -1.531 -0.536 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.324 -0.353 1.458 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.153 -1.447 -0.687 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.927 -0.857 0.309 1.00 0.00 C ATOM 129 H PHE A 9 -1.223 -1.071 1.671 1.00 0.00 H ATOM 130 HA PHE A 9 -3.694 -2.569 2.388 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.296 -0.159 1.265 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.165 -0.993 -0.231 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.487 -0.052 2.510 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.179 -1.996 -1.312 1.00 0.00 H ATOM 135 HE1 PHE A 9 -7.927 0.101 2.232 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.625 -1.846 -1.574 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.999 -0.796 0.192 1.00 0.00 H ATOM 138 N LEU A 10 -2.128 -3.602 -0.363 1.00 0.00 N ATOM 139 CA LEU A 10 -1.735 -4.768 -1.199 1.00 0.00 C ATOM 140 C LEU A 10 -1.021 -5.945 -0.447 1.00 0.00 C ATOM 141 O LEU A 10 -1.328 -7.116 -0.686 1.00 0.00 O ATOM 142 CB LEU A 10 -0.834 -4.227 -2.353 1.00 0.00 C ATOM 143 CG LEU A 10 -1.536 -3.458 -3.502 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.488 -2.775 -4.396 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.410 -4.378 -4.372 1.00 0.00 C ATOM 146 H LEU A 10 -1.602 -2.722 -0.269 1.00 0.00 H ATOM 147 HA LEU A 10 -2.639 -5.225 -1.611 1.00 0.00 H ATOM 148 HB2 LEU A 10 -0.041 -3.591 -1.908 1.00 0.00 H ATOM 149 HB3 LEU A 10 -0.250 -5.062 -2.785 1.00 0.00 H ATOM 150 HG LEU A 10 -2.178 -2.667 -3.063 1.00 0.00 H ATOM 151 HD11 LEU A 10 0.124 -2.054 -3.823 1.00 0.00 H ATOM 152 HD12 LEU A 10 -0.960 -2.204 -5.218 1.00 0.00 H ATOM 153 HD13 LEU A 10 0.207 -3.503 -4.856 1.00 0.00 H ATOM 154 HD21 LEU A 10 -2.889 -3.824 -5.201 1.00 0.00 H ATOM 155 HD22 LEU A 10 -1.826 -5.202 -4.823 1.00 0.00 H ATOM 156 HD23 LEU A 10 -3.230 -4.839 -3.792 1.00 0.00 H ATOM 157 N HIS A 11 -0.063 -5.629 0.432 1.00 0.00 N ATOM 158 CA HIS A 11 0.757 -6.637 1.166 1.00 0.00 C ATOM 159 C HIS A 11 0.653 -6.411 2.721 1.00 0.00 C ATOM 160 O HIS A 11 1.525 -5.742 3.293 1.00 0.00 O ATOM 161 CB HIS A 11 2.223 -6.598 0.645 1.00 0.00 C ATOM 162 CG HIS A 11 2.440 -6.856 -0.848 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.242 -8.073 -1.461 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.741 -5.879 -1.810 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.412 -7.711 -2.772 1.00 0.00 C ATOM 166 NE2 HIS A 11 2.731 -6.417 -3.090 1.00 0.00 N ATOM 167 H HIS A 11 0.029 -4.608 0.525 1.00 0.00 H ATOM 168 HA HIS A 11 0.383 -7.660 0.967 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.654 -5.620 0.914 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.829 -7.330 1.210 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.855 -8.938 -1.073 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.896 -4.833 -1.590 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.267 -8.434 -3.564 1.00 0.00 H ATOM 174 N PRO A 12 -0.359 -6.962 3.458 1.00 0.00 N ATOM 175 CA PRO A 12 -0.521 -6.706 4.919 1.00 0.00 C ATOM 176 C PRO A 12 0.379 -7.594 5.844 1.00 0.00 C ATOM 177 O PRO A 12 -0.022 -8.595 6.434 1.00 0.00 O ATOM 178 CB PRO A 12 -2.042 -6.913 5.078 1.00 0.00 C ATOM 179 CG PRO A 12 -2.416 -7.970 4.036 1.00 0.00 C ATOM 180 CD PRO A 12 -1.511 -7.652 2.847 1.00 0.00 C ATOM 181 HA PRO A 12 -0.302 -5.646 5.157 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.338 -7.203 6.104 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.571 -5.964 4.855 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.192 -8.983 4.425 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.489 -7.952 3.769 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.204 -8.565 2.301 1.00 0.00 H ATOM 187 HD3 PRO A 12 -2.015 -6.989 2.117 1.00 0.00 H HETATM 188 N NH2 A 13 1.638 -7.250 6.018 1.00 0.00 N HETATM 189 HN1 NH2 A 13 1.986 -6.560 5.344 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.175 -7.944 6.545 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 12 ATOM 1 N SER A 1 0.396 7.461 7.026 1.00 0.00 N ATOM 2 CA SER A 1 0.957 7.266 5.663 1.00 0.00 C ATOM 3 C SER A 1 -0.139 7.319 4.551 1.00 0.00 C ATOM 4 O SER A 1 -0.114 8.233 3.725 1.00 0.00 O ATOM 5 CB SER A 1 1.850 6.003 5.689 1.00 0.00 C ATOM 6 OG SER A 1 2.531 5.846 4.446 1.00 0.00 O ATOM 7 H1 SER A 1 -0.148 8.332 7.070 1.00 0.00 H ATOM 8 H2 SER A 1 1.150 7.573 7.713 1.00 0.00 H ATOM 9 HA SER A 1 1.627 8.123 5.460 1.00 0.00 H ATOM 10 HB2 SER A 1 2.599 6.076 6.504 1.00 0.00 H ATOM 11 HB3 SER A 1 1.250 5.101 5.919 1.00 0.00 H ATOM 12 HG SER A 1 2.936 4.966 4.441 1.00 0.00 H ATOM 13 N ASP A 2 -1.085 6.357 4.511 1.00 0.00 N ATOM 14 CA ASP A 2 -2.230 6.314 3.537 1.00 0.00 C ATOM 15 C ASP A 2 -1.824 6.136 2.037 1.00 0.00 C ATOM 16 O ASP A 2 -1.848 5.024 1.506 1.00 0.00 O ATOM 17 CB ASP A 2 -3.280 7.432 3.825 1.00 0.00 C ATOM 18 CG ASP A 2 -3.994 7.329 5.169 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.764 8.059 6.125 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.920 6.335 5.187 1.00 0.00 O ATOM 21 H ASP A 2 -1.035 5.734 5.324 1.00 0.00 H ATOM 22 HA ASP A 2 -2.733 5.359 3.728 1.00 0.00 H ATOM 23 HB2 ASP A 2 -2.809 8.429 3.758 1.00 0.00 H ATOM 24 HB3 ASP A 2 -4.059 7.427 3.041 1.00 0.00 H ATOM 25 HD2 ASP A 2 -5.327 6.327 6.055 1.00 0.00 H ATOM 26 N MET A 3 -1.435 7.225 1.366 1.00 0.00 N ATOM 27 CA MET A 3 -0.872 7.182 -0.024 1.00 0.00 C ATOM 28 C MET A 3 0.411 6.291 -0.186 1.00 0.00 C ATOM 29 O MET A 3 0.509 5.464 -1.095 1.00 0.00 O ATOM 30 CB MET A 3 -0.745 8.632 -0.572 1.00 0.00 C ATOM 31 CG MET A 3 0.268 9.576 0.116 1.00 0.00 C ATOM 32 SD MET A 3 0.209 11.201 -0.658 1.00 0.00 S ATOM 33 CE MET A 3 1.472 12.026 0.322 1.00 0.00 C ATOM 34 H MET A 3 -1.212 7.961 2.048 1.00 0.00 H ATOM 35 HA MET A 3 -1.620 6.675 -0.650 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.492 8.576 -1.649 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.744 9.110 -0.552 1.00 0.00 H ATOM 38 HG2 MET A 3 0.051 9.683 1.196 1.00 0.00 H ATOM 39 HG3 MET A 3 1.299 9.181 0.040 1.00 0.00 H ATOM 40 HE1 MET A 3 1.596 13.073 -0.007 1.00 0.00 H ATOM 41 HE2 MET A 3 2.447 11.515 0.217 1.00 0.00 H ATOM 42 HE3 MET A 3 1.198 12.030 1.393 1.00 0.00 H ATOM 43 N THR A 4 1.341 6.413 0.765 1.00 0.00 N ATOM 44 CA THR A 4 2.528 5.502 0.895 1.00 0.00 C ATOM 45 C THR A 4 2.318 4.289 1.868 1.00 0.00 C ATOM 46 O THR A 4 3.219 3.845 2.577 1.00 0.00 O ATOM 47 CB THR A 4 3.811 6.339 1.186 1.00 0.00 C ATOM 48 OG1 THR A 4 3.660 7.189 2.323 1.00 0.00 O ATOM 49 CG2 THR A 4 4.221 7.226 0.005 1.00 0.00 C ATOM 50 H THR A 4 1.015 7.051 1.496 1.00 0.00 H ATOM 51 HA THR A 4 2.684 4.952 -0.065 1.00 0.00 H ATOM 52 HB THR A 4 4.655 5.645 1.378 1.00 0.00 H ATOM 53 HG1 THR A 4 3.251 6.674 3.031 1.00 0.00 H ATOM 54 HG21 THR A 4 3.442 7.979 -0.218 1.00 0.00 H ATOM 55 HG22 THR A 4 4.373 6.633 -0.915 1.00 0.00 H ATOM 56 HG23 THR A 4 5.155 7.772 0.219 1.00 0.00 H ATOM 57 N THR A 5 1.088 3.776 1.889 1.00 0.00 N ATOM 58 CA THR A 5 0.735 2.388 2.306 1.00 0.00 C ATOM 59 C THR A 5 -0.349 1.785 1.339 1.00 0.00 C ATOM 60 O THR A 5 -0.993 0.791 1.675 1.00 0.00 O ATOM 61 CB THR A 5 0.510 2.154 3.828 1.00 0.00 C ATOM 62 OG1 THR A 5 0.044 3.321 4.491 1.00 0.00 O ATOM 63 CG2 THR A 5 1.763 1.627 4.549 1.00 0.00 C ATOM 64 H THR A 5 0.408 4.374 1.399 1.00 0.00 H ATOM 65 HA THR A 5 1.569 1.716 2.027 1.00 0.00 H ATOM 66 HB THR A 5 -0.241 1.356 3.935 1.00 0.00 H ATOM 67 HG1 THR A 5 0.450 4.054 4.017 1.00 0.00 H ATOM 68 HG21 THR A 5 2.609 2.335 4.513 1.00 0.00 H ATOM 69 HG22 THR A 5 2.126 0.683 4.093 1.00 0.00 H ATOM 70 HG23 THR A 5 1.559 1.399 5.610 1.00 0.00 H ATOM 71 N VAL A 6 -0.445 2.255 0.065 1.00 0.00 N ATOM 72 CA VAL A 6 -1.086 1.468 -1.045 1.00 0.00 C ATOM 73 C VAL A 6 -0.305 0.119 -1.282 1.00 0.00 C ATOM 74 O VAL A 6 -0.913 -0.920 -1.543 1.00 0.00 O ATOM 75 CB VAL A 6 -1.316 2.360 -2.313 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.902 1.589 -3.520 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.272 3.550 -2.055 1.00 0.00 C ATOM 78 H VAL A 6 0.044 3.147 -0.104 1.00 0.00 H ATOM 79 HA VAL A 6 -2.058 1.115 -0.690 1.00 0.00 H ATOM 80 HB VAL A 6 -0.335 2.773 -2.625 1.00 0.00 H ATOM 81 HG11 VAL A 6 -2.046 2.240 -4.404 1.00 0.00 H ATOM 82 HG12 VAL A 6 -1.239 0.767 -3.850 1.00 0.00 H ATOM 83 HG13 VAL A 6 -2.883 1.132 -3.287 1.00 0.00 H ATOM 84 HG21 VAL A 6 -3.288 3.217 -1.769 1.00 0.00 H ATOM 85 HG22 VAL A 6 -1.912 4.202 -1.238 1.00 0.00 H ATOM 86 HG23 VAL A 6 -2.379 4.200 -2.944 1.00 0.00 H ATOM 87 N TRP A 7 1.027 0.131 -1.086 1.00 0.00 N ATOM 88 CA TRP A 7 1.832 -1.116 -0.954 1.00 0.00 C ATOM 89 C TRP A 7 1.452 -2.089 0.224 1.00 0.00 C ATOM 90 O TRP A 7 1.589 -3.301 0.081 1.00 0.00 O ATOM 91 CB TRP A 7 3.327 -0.706 -0.941 1.00 0.00 C ATOM 92 CG TRP A 7 3.935 -0.162 0.374 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.943 1.182 0.785 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.463 -0.872 1.448 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.540 1.342 2.048 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.829 0.056 2.452 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.488 -2.262 1.723 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.249 -0.398 3.724 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.917 -2.693 2.979 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.299 -1.773 3.964 1.00 0.00 C ATOM 101 H TRP A 7 1.328 1.072 -0.774 1.00 0.00 H ATOM 102 HA TRP A 7 1.655 -1.710 -1.865 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.901 -1.599 -1.237 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.511 0.016 -1.759 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.360 1.958 0.311 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.527 2.191 2.628 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.068 -2.959 1.018 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.495 0.307 4.505 1.00 0.00 H ATOM 109 HZ3 TRP A 7 4.908 -3.748 3.210 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.605 -2.133 4.936 1.00 0.00 H ATOM 111 N GLY A 8 1.031 -1.551 1.380 1.00 0.00 N ATOM 112 CA GLY A 8 0.562 -2.363 2.549 1.00 0.00 C ATOM 113 C GLY A 8 -0.906 -2.830 2.534 1.00 0.00 C ATOM 114 O GLY A 8 -1.239 -3.899 3.040 1.00 0.00 O ATOM 115 H GLY A 8 0.736 -0.585 1.208 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.168 -3.270 2.616 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.747 -1.832 3.485 1.00 0.00 H ATOM 118 N PHE A 9 -1.777 -2.023 1.925 1.00 0.00 N ATOM 119 CA PHE A 9 -3.129 -2.474 1.451 1.00 0.00 C ATOM 120 C PHE A 9 -3.065 -3.778 0.559 1.00 0.00 C ATOM 121 O PHE A 9 -3.808 -4.744 0.736 1.00 0.00 O ATOM 122 CB PHE A 9 -3.713 -1.256 0.678 1.00 0.00 C ATOM 123 CG PHE A 9 -5.232 -1.276 0.491 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.067 -0.699 1.452 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.794 -1.861 -0.648 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.449 -0.710 1.278 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.177 -1.873 -0.820 1.00 0.00 C ATOM 128 CZ PHE A 9 -8.002 -1.297 0.142 1.00 0.00 C ATOM 129 H PHE A 9 -1.319 -1.141 1.657 1.00 0.00 H ATOM 130 HA PHE A 9 -3.749 -2.710 2.329 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.419 -0.315 1.170 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.223 -1.165 -0.310 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.648 -0.245 2.339 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.162 -2.322 -1.395 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.092 -0.267 2.024 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.608 -2.335 -1.697 1.00 0.00 H ATOM 137 HZ PHE A 9 -9.074 -1.310 0.009 1.00 0.00 H ATOM 138 N LEU A 10 -2.109 -3.747 -0.377 1.00 0.00 N ATOM 139 CA LEU A 10 -1.671 -4.918 -1.184 1.00 0.00 C ATOM 140 C LEU A 10 -0.932 -6.058 -0.400 1.00 0.00 C ATOM 141 O LEU A 10 -1.207 -7.242 -0.612 1.00 0.00 O ATOM 142 CB LEU A 10 -0.770 -4.376 -2.338 1.00 0.00 C ATOM 143 CG LEU A 10 -1.475 -3.624 -3.498 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.429 -2.941 -4.393 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.336 -4.561 -4.362 1.00 0.00 C ATOM 146 H LEU A 10 -1.616 -2.847 -0.294 1.00 0.00 H ATOM 147 HA LEU A 10 -2.554 -5.409 -1.599 1.00 0.00 H ATOM 148 HB2 LEU A 10 0.015 -3.729 -1.895 1.00 0.00 H ATOM 149 HB3 LEU A 10 -0.179 -5.211 -2.760 1.00 0.00 H ATOM 150 HG LEU A 10 -2.126 -2.835 -3.071 1.00 0.00 H ATOM 151 HD11 LEU A 10 0.278 -3.666 -4.840 1.00 0.00 H ATOM 152 HD12 LEU A 10 -0.900 -2.386 -5.226 1.00 0.00 H ATOM 153 HD13 LEU A 10 0.171 -2.206 -3.826 1.00 0.00 H ATOM 154 HD21 LEU A 10 -1.743 -5.385 -4.802 1.00 0.00 H ATOM 155 HD22 LEU A 10 -3.154 -5.024 -3.781 1.00 0.00 H ATOM 156 HD23 LEU A 10 -2.816 -4.021 -5.200 1.00 0.00 H ATOM 157 N HIS A 11 0.011 -5.698 0.477 1.00 0.00 N ATOM 158 CA HIS A 11 0.862 -6.666 1.228 1.00 0.00 C ATOM 159 C HIS A 11 0.825 -6.369 2.777 1.00 0.00 C ATOM 160 O HIS A 11 1.713 -5.665 3.273 1.00 0.00 O ATOM 161 CB HIS A 11 2.310 -6.655 0.659 1.00 0.00 C ATOM 162 CG HIS A 11 2.489 -6.910 -0.839 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.232 -8.112 -1.459 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.797 -5.932 -1.800 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.374 -7.740 -2.769 1.00 0.00 C ATOM 166 NE2 HIS A 11 2.729 -6.454 -3.084 1.00 0.00 N ATOM 167 H HIS A 11 0.083 -4.673 0.541 1.00 0.00 H ATOM 168 HA HIS A 11 0.494 -7.701 1.087 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.756 -5.683 0.921 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.924 -7.392 1.208 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.797 -8.954 -1.071 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.985 -4.893 -1.571 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.172 -8.446 -3.565 1.00 0.00 H ATOM 174 N PRO A 12 -0.140 -6.905 3.586 1.00 0.00 N ATOM 175 CA PRO A 12 -0.222 -6.643 5.058 1.00 0.00 C ATOM 176 C PRO A 12 1.022 -6.857 5.987 1.00 0.00 C ATOM 177 O PRO A 12 1.232 -6.127 6.951 1.00 0.00 O ATOM 178 CB PRO A 12 -1.410 -7.537 5.467 1.00 0.00 C ATOM 179 CG PRO A 12 -2.311 -7.589 4.233 1.00 0.00 C ATOM 180 CD PRO A 12 -1.349 -7.556 3.048 1.00 0.00 C ATOM 181 HA PRO A 12 -0.515 -5.582 5.189 1.00 0.00 H ATOM 182 HB2 PRO A 12 -1.069 -8.560 5.722 1.00 0.00 H ATOM 183 HB3 PRO A 12 -1.937 -7.146 6.359 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.975 -8.473 4.217 1.00 0.00 H ATOM 185 HG3 PRO A 12 -2.965 -6.694 4.203 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.082 -8.559 2.665 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.804 -6.994 2.207 1.00 0.00 H HETATM 188 N NH2 A 13 1.870 -7.845 5.781 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.697 -7.794 6.381 1.00 0.00 H HETATM 190 HN2 NH2 A 13 1.775 -8.306 4.873 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 13 ATOM 1 N SER A 1 -7.146 6.764 4.985 1.00 0.00 N ATOM 2 CA SER A 1 -6.826 6.880 3.540 1.00 0.00 C ATOM 3 C SER A 1 -5.290 6.845 3.283 1.00 0.00 C ATOM 4 O SER A 1 -4.597 7.857 3.428 1.00 0.00 O ATOM 5 CB SER A 1 -7.515 8.145 2.972 1.00 0.00 C ATOM 6 OG SER A 1 -6.924 9.343 3.480 1.00 0.00 O ATOM 7 H1 SER A 1 -6.596 6.017 5.425 1.00 0.00 H ATOM 8 H2 SER A 1 -6.881 7.628 5.473 1.00 0.00 H ATOM 9 HA SER A 1 -7.292 6.015 3.031 1.00 0.00 H ATOM 10 HB2 SER A 1 -7.445 8.148 1.867 1.00 0.00 H ATOM 11 HB3 SER A 1 -8.601 8.143 3.194 1.00 0.00 H ATOM 12 HG SER A 1 -5.970 9.180 3.514 1.00 0.00 H ATOM 13 N ASP A 2 -4.752 5.678 2.898 1.00 0.00 N ATOM 14 CA ASP A 2 -3.295 5.518 2.619 1.00 0.00 C ATOM 15 C ASP A 2 -2.833 5.976 1.205 1.00 0.00 C ATOM 16 O ASP A 2 -3.453 5.682 0.181 1.00 0.00 O ATOM 17 CB ASP A 2 -2.819 4.069 2.884 1.00 0.00 C ATOM 18 CG ASP A 2 -3.604 2.874 2.329 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.869 1.886 3.003 1.00 0.00 O ATOM 20 OD2 ASP A 2 -3.953 3.027 1.017 1.00 0.00 O ATOM 21 H ASP A 2 -5.417 4.899 2.851 1.00 0.00 H ATOM 22 HA ASP A 2 -2.738 6.124 3.365 1.00 0.00 H ATOM 23 HB2 ASP A 2 -1.777 3.941 2.547 1.00 0.00 H ATOM 24 HB3 ASP A 2 -2.714 3.971 3.972 1.00 0.00 H ATOM 25 HD2 ASP A 2 -3.728 3.900 0.682 1.00 0.00 H ATOM 26 N MET A 3 -1.660 6.607 1.206 1.00 0.00 N ATOM 27 CA MET A 3 -0.932 7.035 -0.029 1.00 0.00 C ATOM 28 C MET A 3 0.373 6.195 -0.171 1.00 0.00 C ATOM 29 O MET A 3 0.484 5.315 -1.027 1.00 0.00 O ATOM 30 CB MET A 3 -0.828 8.587 -0.114 1.00 0.00 C ATOM 31 CG MET A 3 -0.086 9.359 1.005 1.00 0.00 C ATOM 32 SD MET A 3 -0.204 11.137 0.715 1.00 0.00 S ATOM 33 CE MET A 3 1.220 11.391 -0.361 1.00 0.00 C ATOM 34 H MET A 3 -1.229 6.545 2.136 1.00 0.00 H ATOM 35 HA MET A 3 -1.505 6.738 -0.916 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.371 8.851 -1.087 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.856 8.994 -0.183 1.00 0.00 H ATOM 38 HG2 MET A 3 -0.537 9.146 1.992 1.00 0.00 H ATOM 39 HG3 MET A 3 0.980 9.074 1.078 1.00 0.00 H ATOM 40 HE1 MET A 3 1.302 12.455 -0.645 1.00 0.00 H ATOM 41 HE2 MET A 3 2.155 11.099 0.149 1.00 0.00 H ATOM 42 HE3 MET A 3 1.126 10.797 -1.287 1.00 0.00 H ATOM 43 N THR A 4 1.312 6.393 0.753 1.00 0.00 N ATOM 44 CA THR A 4 2.538 5.531 0.902 1.00 0.00 C ATOM 45 C THR A 4 2.376 4.300 1.862 1.00 0.00 C ATOM 46 O THR A 4 3.320 3.801 2.473 1.00 0.00 O ATOM 47 CB THR A 4 3.779 6.418 1.216 1.00 0.00 C ATOM 48 OG1 THR A 4 3.584 7.185 2.401 1.00 0.00 O ATOM 49 CG2 THR A 4 4.138 7.392 0.087 1.00 0.00 C ATOM 50 H THR A 4 1.020 7.115 1.412 1.00 0.00 H ATOM 51 HA THR A 4 2.729 4.992 -0.059 1.00 0.00 H ATOM 52 HB THR A 4 4.653 5.750 1.369 1.00 0.00 H ATOM 53 HG1 THR A 4 4.362 7.743 2.488 1.00 0.00 H ATOM 54 HG21 THR A 4 4.281 6.855 -0.870 1.00 0.00 H ATOM 55 HG22 THR A 4 5.063 7.951 0.301 1.00 0.00 H ATOM 56 HG23 THR A 4 3.327 8.129 -0.079 1.00 0.00 H ATOM 57 N THR A 5 1.145 3.793 1.926 1.00 0.00 N ATOM 58 CA THR A 5 0.811 2.398 2.325 1.00 0.00 C ATOM 59 C THR A 5 -0.269 1.806 1.349 1.00 0.00 C ATOM 60 O THR A 5 -0.903 0.806 1.681 1.00 0.00 O ATOM 61 CB THR A 5 0.594 2.142 3.847 1.00 0.00 C ATOM 62 OG1 THR A 5 0.287 3.322 4.578 1.00 0.00 O ATOM 63 CG2 THR A 5 1.812 1.475 4.512 1.00 0.00 C ATOM 64 H THR A 5 0.459 4.413 1.481 1.00 0.00 H ATOM 65 HA THR A 5 1.648 1.737 2.030 1.00 0.00 H ATOM 66 HB THR A 5 -0.239 1.430 3.955 1.00 0.00 H ATOM 67 HG1 THR A 5 1.127 3.785 4.667 1.00 0.00 H ATOM 68 HG21 THR A 5 2.058 0.507 4.030 1.00 0.00 H ATOM 69 HG22 THR A 5 2.725 2.093 4.443 1.00 0.00 H ATOM 70 HG23 THR A 5 1.632 1.253 5.579 1.00 0.00 H ATOM 71 N VAL A 6 -0.404 2.301 0.085 1.00 0.00 N ATOM 72 CA VAL A 6 -1.050 1.506 -1.021 1.00 0.00 C ATOM 73 C VAL A 6 -0.269 0.157 -1.259 1.00 0.00 C ATOM 74 O VAL A 6 -0.878 -0.880 -1.523 1.00 0.00 O ATOM 75 CB VAL A 6 -1.287 2.374 -2.306 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.867 1.582 -3.503 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.256 3.556 -2.070 1.00 0.00 C ATOM 78 H VAL A 6 0.125 3.165 -0.107 1.00 0.00 H ATOM 79 HA VAL A 6 -2.022 1.157 -0.660 1.00 0.00 H ATOM 80 HB VAL A 6 -0.309 2.791 -2.624 1.00 0.00 H ATOM 81 HG11 VAL A 6 -2.022 2.220 -4.394 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.844 1.118 -3.261 1.00 0.00 H ATOM 83 HG13 VAL A 6 -1.199 0.763 -3.826 1.00 0.00 H ATOM 84 HG21 VAL A 6 -1.893 4.230 -1.276 1.00 0.00 H ATOM 85 HG22 VAL A 6 -2.378 4.184 -2.973 1.00 0.00 H ATOM 86 HG23 VAL A 6 -3.266 3.217 -1.769 1.00 0.00 H ATOM 87 N TRP A 7 1.063 0.169 -1.066 1.00 0.00 N ATOM 88 CA TRP A 7 1.865 -1.084 -0.949 1.00 0.00 C ATOM 89 C TRP A 7 1.483 -2.062 0.227 1.00 0.00 C ATOM 90 O TRP A 7 1.603 -3.274 0.074 1.00 0.00 O ATOM 91 CB TRP A 7 3.362 -0.685 -0.958 1.00 0.00 C ATOM 92 CG TRP A 7 4.000 -0.195 0.361 1.00 0.00 C ATOM 93 CD1 TRP A 7 4.017 1.130 0.830 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.544 -0.951 1.393 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.629 1.234 2.092 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.923 -0.070 2.435 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.583 -2.354 1.600 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.368 -0.581 3.676 1.00 0.00 C ATOM 99 CZ3 TRP A 7 5.037 -2.840 2.827 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.431 -1.966 3.847 1.00 0.00 C ATOM 101 H TRP A 7 1.363 1.105 -0.740 1.00 0.00 H ATOM 102 HA TRP A 7 1.672 -1.672 -1.861 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.922 -1.571 -1.300 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.534 0.065 -1.755 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.434 1.930 0.395 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.626 2.060 2.705 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.161 -3.019 0.865 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.627 0.088 4.482 1.00 0.00 H ATOM 109 HZ3 TRP A 7 5.046 -3.907 3.004 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.761 -2.370 4.794 1.00 0.00 H ATOM 111 N GLY A 8 1.082 -1.528 1.391 1.00 0.00 N ATOM 112 CA GLY A 8 0.603 -2.342 2.554 1.00 0.00 C ATOM 113 C GLY A 8 -0.873 -2.787 2.545 1.00 0.00 C ATOM 114 O GLY A 8 -1.217 -3.852 3.054 1.00 0.00 O ATOM 115 H GLY A 8 0.793 -0.558 1.228 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.195 -3.258 2.609 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.799 -1.822 3.494 1.00 0.00 H ATOM 118 N PHE A 9 -1.735 -1.966 1.946 1.00 0.00 N ATOM 119 CA PHE A 9 -3.099 -2.388 1.483 1.00 0.00 C ATOM 120 C PHE A 9 -3.067 -3.683 0.575 1.00 0.00 C ATOM 121 O PHE A 9 -3.828 -4.636 0.746 1.00 0.00 O ATOM 122 CB PHE A 9 -3.667 -1.149 0.729 1.00 0.00 C ATOM 123 CG PHE A 9 -5.187 -1.128 0.558 1.00 0.00 C ATOM 124 CD1 PHE A 9 -5.780 -1.710 -0.568 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.995 -0.508 1.517 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.163 -1.677 -0.728 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.377 -0.474 1.354 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.960 -1.057 0.232 1.00 0.00 C ATOM 129 H PHE A 9 -1.273 -1.083 1.690 1.00 0.00 H ATOM 130 HA PHE A 9 -3.717 -2.620 2.365 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.348 -0.220 1.228 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.186 -1.058 -0.264 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.170 -2.202 -1.313 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.551 -0.053 2.392 1.00 0.00 H ATOM 135 HE1 PHE A 9 -7.618 -2.136 -1.594 1.00 0.00 H ATOM 136 HE2 PHE A 9 -7.996 0.004 2.100 1.00 0.00 H ATOM 137 HZ PHE A 9 -9.033 -1.034 0.108 1.00 0.00 H ATOM 138 N LEU A 10 -2.118 -3.660 -0.366 1.00 0.00 N ATOM 139 CA LEU A 10 -1.705 -4.829 -1.189 1.00 0.00 C ATOM 140 C LEU A 10 -0.983 -5.992 -0.424 1.00 0.00 C ATOM 141 O LEU A 10 -1.277 -7.168 -0.651 1.00 0.00 O ATOM 142 CB LEU A 10 -0.803 -4.292 -2.343 1.00 0.00 C ATOM 143 CG LEU A 10 -1.505 -3.531 -3.499 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.457 -2.849 -4.395 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.374 -4.458 -4.366 1.00 0.00 C ATOM 146 H LEU A 10 -1.606 -2.772 -0.274 1.00 0.00 H ATOM 147 HA LEU A 10 -2.601 -5.300 -1.603 1.00 0.00 H ATOM 148 HB2 LEU A 10 -0.013 -3.651 -1.900 1.00 0.00 H ATOM 149 HB3 LEU A 10 -0.217 -5.127 -2.769 1.00 0.00 H ATOM 150 HG LEU A 10 -2.150 -2.739 -3.068 1.00 0.00 H ATOM 151 HD11 LEU A 10 0.149 -2.122 -3.824 1.00 0.00 H ATOM 152 HD12 LEU A 10 0.242 -3.577 -4.848 1.00 0.00 H ATOM 153 HD13 LEU A 10 -0.929 -2.287 -5.221 1.00 0.00 H ATOM 154 HD21 LEU A 10 -2.852 -3.912 -5.200 1.00 0.00 H ATOM 155 HD22 LEU A 10 -3.193 -4.919 -3.785 1.00 0.00 H ATOM 156 HD23 LEU A 10 -1.787 -5.284 -4.810 1.00 0.00 H ATOM 157 N HIS A 11 -0.029 -5.657 0.455 1.00 0.00 N ATOM 158 CA HIS A 11 0.799 -6.651 1.199 1.00 0.00 C ATOM 159 C HIS A 11 0.687 -6.415 2.753 1.00 0.00 C ATOM 160 O HIS A 11 1.549 -5.730 3.322 1.00 0.00 O ATOM 161 CB HIS A 11 2.267 -6.598 0.682 1.00 0.00 C ATOM 162 CG HIS A 11 2.492 -6.864 -0.807 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.306 -8.086 -1.414 1.00 0.00 N ATOM 164 CD2 HIS A 11 2.789 -5.890 -1.775 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.479 -7.731 -2.725 1.00 0.00 C ATOM 166 NE2 HIS A 11 2.788 -6.435 -3.051 1.00 0.00 N ATOM 167 H HIS A 11 0.051 -4.635 0.538 1.00 0.00 H ATOM 168 HA HIS A 11 0.438 -7.679 1.007 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.686 -5.613 0.948 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.879 -7.319 1.255 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.925 -8.952 -1.021 1.00 0.00 H ATOM 172 HD2 HIS A 11 2.934 -4.841 -1.559 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.342 -8.459 -3.515 1.00 0.00 H ATOM 174 N PRO A 12 -0.320 -6.973 3.491 1.00 0.00 N ATOM 175 CA PRO A 12 -0.488 -6.709 4.949 1.00 0.00 C ATOM 176 C PRO A 12 0.420 -7.577 5.884 1.00 0.00 C ATOM 177 O PRO A 12 0.030 -8.578 6.481 1.00 0.00 O ATOM 178 CB PRO A 12 -2.008 -6.932 5.106 1.00 0.00 C ATOM 179 CG PRO A 12 -2.366 -8.003 4.070 1.00 0.00 C ATOM 180 CD PRO A 12 -1.462 -7.681 2.881 1.00 0.00 C ATOM 181 HA PRO A 12 -0.283 -5.644 5.180 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.303 -7.219 6.133 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.548 -5.992 4.875 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.130 -9.009 4.467 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.438 -7.999 3.800 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.142 -8.594 2.342 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.972 -7.029 2.145 1.00 0.00 H HETATM 188 N NH2 A 13 1.674 -7.217 6.058 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.218 -7.901 6.591 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.015 -6.529 5.378 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 14 ATOM 1 N SER A 1 1.649 5.941 5.335 1.00 0.00 N ATOM 2 CA SER A 1 0.256 6.149 5.797 1.00 0.00 C ATOM 3 C SER A 1 -0.681 6.559 4.620 1.00 0.00 C ATOM 4 O SER A 1 -0.512 7.616 4.004 1.00 0.00 O ATOM 5 CB SER A 1 0.272 7.179 6.947 1.00 0.00 C ATOM 6 OG SER A 1 -1.009 7.254 7.573 1.00 0.00 O ATOM 7 H1 SER A 1 1.659 5.477 4.418 1.00 0.00 H ATOM 8 H2 SER A 1 2.094 6.852 5.169 1.00 0.00 H ATOM 9 HA SER A 1 -0.094 5.190 6.226 1.00 0.00 H ATOM 10 HB2 SER A 1 1.036 6.921 7.707 1.00 0.00 H ATOM 11 HB3 SER A 1 0.555 8.182 6.569 1.00 0.00 H ATOM 12 HG SER A 1 -1.137 6.439 8.069 1.00 0.00 H ATOM 13 N ASP A 2 -1.665 5.698 4.301 1.00 0.00 N ATOM 14 CA ASP A 2 -2.679 5.927 3.220 1.00 0.00 C ATOM 15 C ASP A 2 -2.079 5.906 1.779 1.00 0.00 C ATOM 16 O ASP A 2 -2.042 4.854 1.141 1.00 0.00 O ATOM 17 CB ASP A 2 -3.656 7.099 3.553 1.00 0.00 C ATOM 18 CG ASP A 2 -4.525 6.889 4.789 1.00 0.00 C ATOM 19 OD1 ASP A 2 -5.381 6.017 4.880 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.247 7.778 5.778 1.00 0.00 O ATOM 21 H ASP A 2 -1.610 4.808 4.807 1.00 0.00 H ATOM 22 HA ASP A 2 -3.289 5.017 3.201 1.00 0.00 H ATOM 23 HB2 ASP A 2 -3.099 8.049 3.651 1.00 0.00 H ATOM 24 HB3 ASP A 2 -4.346 7.256 2.705 1.00 0.00 H ATOM 25 HD2 ASP A 2 -4.817 7.588 6.522 1.00 0.00 H ATOM 26 N MET A 3 -1.591 7.049 1.283 1.00 0.00 N ATOM 27 CA MET A 3 -0.907 7.147 -0.047 1.00 0.00 C ATOM 28 C MET A 3 0.378 6.256 -0.180 1.00 0.00 C ATOM 29 O MET A 3 0.494 5.426 -1.084 1.00 0.00 O ATOM 30 CB MET A 3 -0.706 8.657 -0.358 1.00 0.00 C ATOM 31 CG MET A 3 -0.234 8.963 -1.793 1.00 0.00 C ATOM 32 SD MET A 3 -0.066 10.744 -2.010 1.00 0.00 S ATOM 33 CE MET A 3 0.496 10.774 -3.719 1.00 0.00 C ATOM 34 H MET A 3 -1.554 7.750 2.029 1.00 0.00 H ATOM 35 HA MET A 3 -1.596 6.743 -0.800 1.00 0.00 H ATOM 36 HB2 MET A 3 -1.656 9.202 -0.193 1.00 0.00 H ATOM 37 HB3 MET A 3 0.009 9.099 0.363 1.00 0.00 H ATOM 38 HG2 MET A 3 0.740 8.481 -2.007 1.00 0.00 H ATOM 39 HG3 MET A 3 -0.950 8.571 -2.541 1.00 0.00 H ATOM 40 HE1 MET A 3 1.447 10.221 -3.830 1.00 0.00 H ATOM 41 HE2 MET A 3 -0.253 10.315 -4.388 1.00 0.00 H ATOM 42 HE3 MET A 3 0.663 11.814 -4.053 1.00 0.00 H ATOM 43 N THR A 4 1.303 6.400 0.771 1.00 0.00 N ATOM 44 CA THR A 4 2.497 5.500 0.901 1.00 0.00 C ATOM 45 C THR A 4 2.309 4.226 1.804 1.00 0.00 C ATOM 46 O THR A 4 3.283 3.670 2.314 1.00 0.00 O ATOM 47 CB THR A 4 3.738 6.370 1.249 1.00 0.00 C ATOM 48 OG1 THR A 4 4.920 5.590 1.117 1.00 0.00 O ATOM 49 CG2 THR A 4 3.744 6.934 2.674 1.00 0.00 C ATOM 50 H THR A 4 0.937 7.005 1.511 1.00 0.00 H ATOM 51 HA THR A 4 2.696 5.013 -0.083 1.00 0.00 H ATOM 52 HB THR A 4 3.807 7.210 0.526 1.00 0.00 H ATOM 53 HG1 THR A 4 4.822 4.859 1.741 1.00 0.00 H ATOM 54 HG21 THR A 4 3.763 6.123 3.425 1.00 0.00 H ATOM 55 HG22 THR A 4 4.627 7.571 2.845 1.00 0.00 H ATOM 56 HG23 THR A 4 2.841 7.541 2.868 1.00 0.00 H ATOM 57 N THR A 5 1.070 3.771 2.004 1.00 0.00 N ATOM 58 CA THR A 5 0.763 2.346 2.337 1.00 0.00 C ATOM 59 C THR A 5 -0.325 1.784 1.352 1.00 0.00 C ATOM 60 O THR A 5 -0.992 0.794 1.655 1.00 0.00 O ATOM 61 CB THR A 5 0.600 1.990 3.847 1.00 0.00 C ATOM 62 OG1 THR A 5 0.220 3.097 4.649 1.00 0.00 O ATOM 63 CG2 THR A 5 1.875 1.384 4.458 1.00 0.00 C ATOM 64 H THR A 5 0.350 4.353 1.558 1.00 0.00 H ATOM 65 HA THR A 5 1.603 1.711 1.985 1.00 0.00 H ATOM 66 HB THR A 5 -0.171 1.207 3.928 1.00 0.00 H ATOM 67 HG1 THR A 5 1.011 3.644 4.699 1.00 0.00 H ATOM 68 HG21 THR A 5 2.182 0.460 3.924 1.00 0.00 H ATOM 69 HG22 THR A 5 1.733 1.095 5.514 1.00 0.00 H ATOM 70 HG23 THR A 5 2.738 2.072 4.407 1.00 0.00 H ATOM 71 N VAL A 6 -0.387 2.287 0.091 1.00 0.00 N ATOM 72 CA VAL A 6 -1.007 1.530 -1.056 1.00 0.00 C ATOM 73 C VAL A 6 -0.220 0.187 -1.312 1.00 0.00 C ATOM 74 O VAL A 6 -0.820 -0.839 -1.635 1.00 0.00 O ATOM 75 CB VAL A 6 -1.212 2.436 -2.321 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.729 1.678 -3.568 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.211 3.591 -2.085 1.00 0.00 C ATOM 78 H VAL A 6 0.089 3.199 -0.010 1.00 0.00 H ATOM 79 HA VAL A 6 -1.986 1.161 -0.730 1.00 0.00 H ATOM 80 HB VAL A 6 -0.231 2.883 -2.585 1.00 0.00 H ATOM 81 HG11 VAL A 6 -1.861 2.346 -4.440 1.00 0.00 H ATOM 82 HG12 VAL A 6 -2.703 1.187 -3.382 1.00 0.00 H ATOM 83 HG13 VAL A 6 -1.029 0.886 -3.892 1.00 0.00 H ATOM 84 HG21 VAL A 6 -3.220 3.225 -1.812 1.00 0.00 H ATOM 85 HG22 VAL A 6 -2.324 4.238 -2.975 1.00 0.00 H ATOM 86 HG23 VAL A 6 -1.882 4.254 -1.267 1.00 0.00 H ATOM 87 N TRP A 7 1.106 0.188 -1.076 1.00 0.00 N ATOM 88 CA TRP A 7 1.900 -1.070 -0.976 1.00 0.00 C ATOM 89 C TRP A 7 1.483 -2.067 0.170 1.00 0.00 C ATOM 90 O TRP A 7 1.556 -3.278 -0.019 1.00 0.00 O ATOM 91 CB TRP A 7 3.404 -0.687 -0.954 1.00 0.00 C ATOM 92 CG TRP A 7 4.039 -0.268 0.391 1.00 0.00 C ATOM 93 CD1 TRP A 7 4.083 1.037 0.904 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.559 -1.072 1.401 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.678 1.084 2.179 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.943 -0.236 2.477 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.582 -2.481 1.552 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.373 -0.799 3.700 1.00 0.00 C ATOM 99 CZ3 TRP A 7 5.020 -3.019 2.763 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.417 -2.190 3.820 1.00 0.00 C ATOM 101 H TRP A 7 1.396 1.117 -0.719 1.00 0.00 H ATOM 102 HA TRP A 7 1.717 -1.635 -1.904 1.00 0.00 H ATOM 103 HB2 TRP A 7 3.962 -1.558 -1.333 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.594 0.101 -1.710 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.549 1.869 0.467 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.707 1.889 2.817 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.172 -3.116 0.786 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.637 -0.165 4.533 1.00 0.00 H ATOM 109 HZ3 TRP A 7 5.019 -4.092 2.898 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.736 -2.634 4.752 1.00 0.00 H ATOM 111 N GLY A 8 1.094 -1.550 1.347 1.00 0.00 N ATOM 112 CA GLY A 8 0.625 -2.378 2.504 1.00 0.00 C ATOM 113 C GLY A 8 -0.857 -2.803 2.542 1.00 0.00 C ATOM 114 O GLY A 8 -1.207 -3.831 3.115 1.00 0.00 O ATOM 115 H GLY A 8 0.845 -0.566 1.207 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.204 -3.305 2.520 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.864 -1.884 3.448 1.00 0.00 H ATOM 118 N PHE A 9 -1.722 -2.004 1.919 1.00 0.00 N ATOM 119 CA PHE A 9 -3.089 -2.441 1.482 1.00 0.00 C ATOM 120 C PHE A 9 -3.058 -3.770 0.629 1.00 0.00 C ATOM 121 O PHE A 9 -3.784 -4.736 0.863 1.00 0.00 O ATOM 122 CB PHE A 9 -3.620 -1.224 0.669 1.00 0.00 C ATOM 123 CG PHE A 9 -5.078 -1.310 0.215 1.00 0.00 C ATOM 124 CD1 PHE A 9 -6.112 -0.922 1.074 1.00 0.00 C ATOM 125 CD2 PHE A 9 -5.387 -1.782 -1.065 1.00 0.00 C ATOM 126 CE1 PHE A 9 -7.439 -1.013 0.658 1.00 0.00 C ATOM 127 CE2 PHE A 9 -6.713 -1.873 -1.479 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.737 -1.489 -0.618 1.00 0.00 C ATOM 129 H PHE A 9 -1.249 -1.155 1.584 1.00 0.00 H ATOM 130 HA PHE A 9 -3.722 -2.625 2.366 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.461 -0.300 1.239 1.00 0.00 H ATOM 132 HB3 PHE A 9 -2.982 -1.062 -0.222 1.00 0.00 H ATOM 133 HD1 PHE A 9 -5.891 -0.560 2.067 1.00 0.00 H ATOM 134 HD2 PHE A 9 -4.601 -2.097 -1.737 1.00 0.00 H ATOM 135 HE1 PHE A 9 -8.236 -0.721 1.325 1.00 0.00 H ATOM 136 HE2 PHE A 9 -6.947 -2.250 -2.465 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.767 -1.565 -0.937 1.00 0.00 H ATOM 138 N LEU A 10 -2.145 -3.747 -0.345 1.00 0.00 N ATOM 139 CA LEU A 10 -1.739 -4.920 -1.165 1.00 0.00 C ATOM 140 C LEU A 10 -0.996 -6.059 -0.380 1.00 0.00 C ATOM 141 O LEU A 10 -1.314 -7.243 -0.524 1.00 0.00 O ATOM 142 CB LEU A 10 -0.874 -4.353 -2.339 1.00 0.00 C ATOM 143 CG LEU A 10 -0.976 -5.015 -3.737 1.00 0.00 C ATOM 144 CD1 LEU A 10 -0.607 -6.505 -3.743 1.00 0.00 C ATOM 145 CD2 LEU A 10 -2.359 -4.810 -4.379 1.00 0.00 C ATOM 146 H LEU A 10 -1.671 -2.832 -0.299 1.00 0.00 H ATOM 147 HA LEU A 10 -2.647 -5.384 -1.559 1.00 0.00 H ATOM 148 HB2 LEU A 10 -1.067 -3.275 -2.476 1.00 0.00 H ATOM 149 HB3 LEU A 10 0.186 -4.332 -2.022 1.00 0.00 H ATOM 150 HG LEU A 10 -0.237 -4.499 -4.385 1.00 0.00 H ATOM 151 HD11 LEU A 10 -1.339 -7.122 -3.189 1.00 0.00 H ATOM 152 HD12 LEU A 10 -0.551 -6.912 -4.771 1.00 0.00 H ATOM 153 HD13 LEU A 10 0.379 -6.680 -3.275 1.00 0.00 H ATOM 154 HD21 LEU A 10 -2.384 -5.186 -5.419 1.00 0.00 H ATOM 155 HD22 LEU A 10 -2.636 -3.740 -4.418 1.00 0.00 H ATOM 156 HD23 LEU A 10 -3.161 -5.335 -3.828 1.00 0.00 H ATOM 157 N HIS A 11 -0.008 -5.680 0.441 1.00 0.00 N ATOM 158 CA HIS A 11 0.827 -6.631 1.235 1.00 0.00 C ATOM 159 C HIS A 11 0.636 -6.404 2.784 1.00 0.00 C ATOM 160 O HIS A 11 1.441 -5.681 3.389 1.00 0.00 O ATOM 161 CB HIS A 11 2.314 -6.509 0.800 1.00 0.00 C ATOM 162 CG HIS A 11 2.653 -6.842 -0.651 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.681 -8.119 -1.165 1.00 0.00 N ATOM 164 CD2 HIS A 11 3.000 -5.917 -1.650 1.00 0.00 C ATOM 165 CE1 HIS A 11 3.035 -7.851 -2.461 1.00 0.00 C ATOM 166 NE2 HIS A 11 3.259 -6.555 -2.855 1.00 0.00 N ATOM 167 H HIS A 11 0.071 -4.650 0.446 1.00 0.00 H ATOM 168 HA HIS A 11 0.525 -7.676 1.027 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.653 -5.485 1.036 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.935 -7.155 1.447 1.00 0.00 H ATOM 171 HD1 HIS A 11 2.422 -9.007 -0.725 1.00 0.00 H ATOM 172 HD2 HIS A 11 3.048 -4.849 -1.501 1.00 0.00 H ATOM 173 HE1 HIS A 11 3.127 -8.650 -3.184 1.00 0.00 H ATOM 174 N PRO A 12 -0.369 -7.013 3.481 1.00 0.00 N ATOM 175 CA PRO A 12 -0.609 -6.759 4.932 1.00 0.00 C ATOM 176 C PRO A 12 0.311 -7.573 5.904 1.00 0.00 C ATOM 177 O PRO A 12 -0.042 -8.600 6.480 1.00 0.00 O ATOM 178 CB PRO A 12 -2.118 -7.071 5.030 1.00 0.00 C ATOM 179 CG PRO A 12 -2.372 -8.159 3.983 1.00 0.00 C ATOM 180 CD PRO A 12 -1.444 -7.784 2.829 1.00 0.00 C ATOM 181 HA PRO A 12 -0.476 -5.683 5.166 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.435 -7.374 6.046 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.703 -6.163 4.777 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.093 -9.151 4.390 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.432 -8.218 3.672 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.053 -8.674 2.300 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.962 -7.157 2.078 1.00 0.00 H HETATM 188 N NH2 A 13 1.530 -7.136 6.134 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.093 -7.788 6.687 1.00 0.00 H HETATM 190 HN2 NH2 A 13 1.856 -6.425 5.470 1.00 0.00 H TER 191 NH2 A 13 ENDMDL MODEL 15 ATOM 1 N SER A 1 -7.389 6.285 4.469 1.00 0.00 N ATOM 2 CA SER A 1 -6.934 7.028 3.265 1.00 0.00 C ATOM 3 C SER A 1 -5.384 6.974 3.064 1.00 0.00 C ATOM 4 O SER A 1 -4.678 7.976 3.215 1.00 0.00 O ATOM 5 CB SER A 1 -7.520 8.456 3.371 1.00 0.00 C ATOM 6 OG SER A 1 -7.120 9.241 2.248 1.00 0.00 O ATOM 7 H1 SER A 1 -8.411 6.335 4.556 1.00 0.00 H ATOM 8 H2 SER A 1 -7.164 5.286 4.397 1.00 0.00 H ATOM 9 HA SER A 1 -7.393 6.563 2.371 1.00 0.00 H ATOM 10 HB2 SER A 1 -8.626 8.429 3.420 1.00 0.00 H ATOM 11 HB3 SER A 1 -7.186 8.954 4.303 1.00 0.00 H ATOM 12 HG SER A 1 -6.155 9.272 2.272 1.00 0.00 H ATOM 13 N ASP A 2 -4.854 5.806 2.668 1.00 0.00 N ATOM 14 CA ASP A 2 -3.392 5.622 2.438 1.00 0.00 C ATOM 15 C ASP A 2 -2.870 6.087 1.046 1.00 0.00 C ATOM 16 O ASP A 2 -3.467 5.834 0.000 1.00 0.00 O ATOM 17 CB ASP A 2 -2.953 4.159 2.697 1.00 0.00 C ATOM 18 CG ASP A 2 -3.739 2.985 2.102 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.994 1.971 2.739 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.100 3.187 0.800 1.00 0.00 O ATOM 21 H ASP A 2 -5.531 5.039 2.610 1.00 0.00 H ATOM 22 HA ASP A 2 -2.850 6.209 3.211 1.00 0.00 H ATOM 23 HB2 ASP A 2 -1.903 4.016 2.389 1.00 0.00 H ATOM 24 HB3 ASP A 2 -2.889 4.045 3.786 1.00 0.00 H ATOM 25 HD2 ASP A 2 -3.866 4.069 0.491 1.00 0.00 H ATOM 26 N MET A 3 -1.673 6.671 1.096 1.00 0.00 N ATOM 27 CA MET A 3 -0.887 7.087 -0.106 1.00 0.00 C ATOM 28 C MET A 3 0.411 6.228 -0.185 1.00 0.00 C ATOM 29 O MET A 3 0.546 5.343 -1.031 1.00 0.00 O ATOM 30 CB MET A 3 -0.764 8.637 -0.193 1.00 0.00 C ATOM 31 CG MET A 3 -0.044 9.401 0.943 1.00 0.00 C ATOM 32 SD MET A 3 -0.179 11.173 0.644 1.00 0.00 S ATOM 33 CE MET A 3 0.719 11.774 2.083 1.00 0.00 C ATOM 34 H MET A 3 -1.278 6.596 2.041 1.00 0.00 H ATOM 35 HA MET A 3 -1.423 6.787 -1.016 1.00 0.00 H ATOM 36 HB2 MET A 3 -0.277 8.897 -1.153 1.00 0.00 H ATOM 37 HB3 MET A 3 -1.787 9.052 -0.291 1.00 0.00 H ATOM 38 HG2 MET A 3 -0.494 9.170 1.926 1.00 0.00 H ATOM 39 HG3 MET A 3 1.027 9.135 0.999 1.00 0.00 H ATOM 40 HE1 MET A 3 0.228 11.448 3.017 1.00 0.00 H ATOM 41 HE2 MET A 3 1.758 11.399 2.086 1.00 0.00 H ATOM 42 HE3 MET A 3 0.753 12.878 2.082 1.00 0.00 H ATOM 43 N THR A 4 1.313 6.417 0.780 1.00 0.00 N ATOM 44 CA THR A 4 2.526 5.547 0.977 1.00 0.00 C ATOM 45 C THR A 4 2.321 4.333 1.949 1.00 0.00 C ATOM 46 O THR A 4 3.212 3.860 2.655 1.00 0.00 O ATOM 47 CB THR A 4 3.769 6.422 1.308 1.00 0.00 C ATOM 48 OG1 THR A 4 3.550 7.223 2.465 1.00 0.00 O ATOM 49 CG2 THR A 4 4.169 7.360 0.163 1.00 0.00 C ATOM 50 H THR A 4 1.005 7.149 1.420 1.00 0.00 H ATOM 51 HA THR A 4 2.738 4.994 0.029 1.00 0.00 H ATOM 52 HB THR A 4 4.629 5.747 1.503 1.00 0.00 H ATOM 53 HG1 THR A 4 4.333 7.770 2.564 1.00 0.00 H ATOM 54 HG21 THR A 4 4.330 6.794 -0.774 1.00 0.00 H ATOM 55 HG22 THR A 4 5.094 7.914 0.386 1.00 0.00 H ATOM 56 HG23 THR A 4 3.372 8.099 -0.044 1.00 0.00 H ATOM 57 N THR A 5 1.103 3.797 1.912 1.00 0.00 N ATOM 58 CA THR A 5 0.757 2.415 2.341 1.00 0.00 C ATOM 59 C THR A 5 -0.283 1.794 1.336 1.00 0.00 C ATOM 60 O THR A 5 -0.888 0.771 1.649 1.00 0.00 O ATOM 61 CB THR A 5 0.428 2.272 3.845 1.00 0.00 C ATOM 62 OG1 THR A 5 1.164 3.178 4.662 1.00 0.00 O ATOM 63 CG2 THR A 5 0.723 0.866 4.400 1.00 0.00 C ATOM 64 H THR A 5 0.419 4.451 1.509 1.00 0.00 H ATOM 65 HA THR A 5 1.618 1.739 2.170 1.00 0.00 H ATOM 66 HB THR A 5 -0.639 2.489 3.922 1.00 0.00 H ATOM 67 HG1 THR A 5 2.033 3.268 4.250 1.00 0.00 H ATOM 68 HG21 THR A 5 0.081 0.100 3.931 1.00 0.00 H ATOM 69 HG22 THR A 5 1.774 0.558 4.231 1.00 0.00 H ATOM 70 HG23 THR A 5 0.541 0.807 5.487 1.00 0.00 H ATOM 71 N VAL A 6 -0.433 2.306 0.080 1.00 0.00 N ATOM 72 CA VAL A 6 -1.040 1.505 -1.045 1.00 0.00 C ATOM 73 C VAL A 6 -0.222 0.177 -1.297 1.00 0.00 C ATOM 74 O VAL A 6 -0.791 -0.856 -1.652 1.00 0.00 O ATOM 75 CB VAL A 6 -1.261 2.389 -2.324 1.00 0.00 C ATOM 76 CG1 VAL A 6 -1.832 1.612 -3.534 1.00 0.00 C ATOM 77 CG2 VAL A 6 -2.227 3.574 -2.094 1.00 0.00 C ATOM 78 H VAL A 6 0.086 3.180 -0.099 1.00 0.00 H ATOM 79 HA VAL A 6 -2.017 1.136 -0.708 1.00 0.00 H ATOM 80 HB VAL A 6 -0.279 2.805 -2.627 1.00 0.00 H ATOM 81 HG11 VAL A 6 -2.811 1.147 -3.309 1.00 0.00 H ATOM 82 HG12 VAL A 6 -1.975 2.259 -4.421 1.00 0.00 H ATOM 83 HG13 VAL A 6 -1.160 0.795 -3.859 1.00 0.00 H ATOM 84 HG21 VAL A 6 -1.873 4.241 -1.289 1.00 0.00 H ATOM 85 HG22 VAL A 6 -3.243 3.239 -1.812 1.00 0.00 H ATOM 86 HG23 VAL A 6 -2.332 4.211 -2.992 1.00 0.00 H ATOM 87 N TRP A 7 1.097 0.202 -1.018 1.00 0.00 N ATOM 88 CA TRP A 7 1.924 -1.033 -0.927 1.00 0.00 C ATOM 89 C TRP A 7 1.522 -2.064 0.191 1.00 0.00 C ATOM 90 O TRP A 7 1.630 -3.269 -0.016 1.00 0.00 O ATOM 91 CB TRP A 7 3.410 -0.587 -0.857 1.00 0.00 C ATOM 92 CG TRP A 7 3.981 -0.140 0.508 1.00 0.00 C ATOM 93 CD1 TRP A 7 3.938 1.161 1.047 1.00 0.00 C ATOM 94 CD2 TRP A 7 4.503 -0.937 1.523 1.00 0.00 C ATOM 95 NE1 TRP A 7 4.488 1.210 2.342 1.00 0.00 N ATOM 96 CE2 TRP A 7 4.810 -0.101 2.626 1.00 0.00 C ATOM 97 CE3 TRP A 7 4.570 -2.348 1.660 1.00 0.00 C ATOM 98 CZ2 TRP A 7 5.218 -0.666 3.855 1.00 0.00 C ATOM 99 CZ3 TRP A 7 4.986 -2.885 2.878 1.00 0.00 C ATOM 100 CH2 TRP A 7 5.314 -2.056 3.958 1.00 0.00 C ATOM 101 H TRP A 7 1.339 1.105 -0.567 1.00 0.00 H ATOM 102 HA TRP A 7 1.782 -1.584 -1.870 1.00 0.00 H ATOM 103 HB2 TRP A 7 4.013 -1.437 -1.215 1.00 0.00 H ATOM 104 HB3 TRP A 7 3.593 0.204 -1.611 1.00 0.00 H ATOM 105 HD1 TRP A 7 3.338 1.967 0.641 1.00 0.00 H ATOM 106 HE1 TRP A 7 4.483 2.011 2.987 1.00 0.00 H ATOM 107 HE3 TRP A 7 4.192 -2.989 0.878 1.00 0.00 H ATOM 108 HZ2 TRP A 7 5.422 -0.035 4.708 1.00 0.00 H ATOM 109 HZ3 TRP A 7 5.015 -3.958 3.002 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.613 -2.500 4.896 1.00 0.00 H ATOM 111 N GLY A 8 1.116 -1.574 1.372 1.00 0.00 N ATOM 112 CA GLY A 8 0.655 -2.429 2.511 1.00 0.00 C ATOM 113 C GLY A 8 -0.832 -2.837 2.551 1.00 0.00 C ATOM 114 O GLY A 8 -1.187 -3.883 3.086 1.00 0.00 O ATOM 115 H GLY A 8 0.868 -0.587 1.259 1.00 0.00 H ATOM 116 HA2 GLY A 8 1.234 -3.350 2.497 1.00 0.00 H ATOM 117 HA3 GLY A 8 0.915 -1.974 3.466 1.00 0.00 H ATOM 118 N PHE A 9 -1.696 -2.001 1.972 1.00 0.00 N ATOM 119 CA PHE A 9 -3.076 -2.399 1.540 1.00 0.00 C ATOM 120 C PHE A 9 -3.085 -3.710 0.654 1.00 0.00 C ATOM 121 O PHE A 9 -3.839 -4.661 0.867 1.00 0.00 O ATOM 122 CB PHE A 9 -3.596 -1.153 0.763 1.00 0.00 C ATOM 123 CG PHE A 9 -5.090 -1.146 0.437 1.00 0.00 C ATOM 124 CD1 PHE A 9 -5.553 -1.694 -0.764 1.00 0.00 C ATOM 125 CD2 PHE A 9 -6.003 -0.573 1.328 1.00 0.00 C ATOM 126 CE1 PHE A 9 -6.911 -1.679 -1.066 1.00 0.00 C ATOM 127 CE2 PHE A 9 -7.363 -0.556 1.023 1.00 0.00 C ATOM 128 CZ PHE A 9 -7.814 -1.110 -0.173 1.00 0.00 C ATOM 129 H PHE A 9 -1.225 -1.129 1.695 1.00 0.00 H ATOM 130 HA PHE A 9 -3.699 -2.589 2.429 1.00 0.00 H ATOM 131 HB2 PHE A 9 -3.341 -0.235 1.312 1.00 0.00 H ATOM 132 HB3 PHE A 9 -3.025 -1.030 -0.178 1.00 0.00 H ATOM 133 HD1 PHE A 9 -4.860 -2.147 -1.460 1.00 0.00 H ATOM 134 HD2 PHE A 9 -5.661 -0.139 2.257 1.00 0.00 H ATOM 135 HE1 PHE A 9 -7.265 -2.114 -1.990 1.00 0.00 H ATOM 136 HE2 PHE A 9 -8.065 -0.116 1.716 1.00 0.00 H ATOM 137 HZ PHE A 9 -8.870 -1.101 -0.405 1.00 0.00 H ATOM 138 N LEU A 10 -2.173 -3.695 -0.321 1.00 0.00 N ATOM 139 CA LEU A 10 -1.790 -4.863 -1.159 1.00 0.00 C ATOM 140 C LEU A 10 -1.052 -6.022 -0.406 1.00 0.00 C ATOM 141 O LEU A 10 -1.378 -7.199 -0.573 1.00 0.00 O ATOM 142 CB LEU A 10 -0.898 -4.275 -2.292 1.00 0.00 C ATOM 143 CG LEU A 10 -0.697 -5.141 -3.562 1.00 0.00 C ATOM 144 CD1 LEU A 10 -2.000 -5.344 -4.355 1.00 0.00 C ATOM 145 CD2 LEU A 10 0.342 -4.481 -4.482 1.00 0.00 C ATOM 146 H LEU A 10 -1.667 -2.802 -0.257 1.00 0.00 H ATOM 147 HA LEU A 10 -2.703 -5.299 -1.575 1.00 0.00 H ATOM 148 HB2 LEU A 10 -1.264 -3.280 -2.579 1.00 0.00 H ATOM 149 HB3 LEU A 10 0.095 -4.036 -1.863 1.00 0.00 H ATOM 150 HG LEU A 10 -0.303 -6.133 -3.259 1.00 0.00 H ATOM 151 HD11 LEU A 10 -1.830 -5.930 -5.277 1.00 0.00 H ATOM 152 HD12 LEU A 10 -2.755 -5.902 -3.772 1.00 0.00 H ATOM 153 HD13 LEU A 10 -2.460 -4.385 -4.656 1.00 0.00 H ATOM 154 HD21 LEU A 10 0.548 -5.098 -5.376 1.00 0.00 H ATOM 155 HD22 LEU A 10 1.312 -4.345 -3.969 1.00 0.00 H ATOM 156 HD23 LEU A 10 0.018 -3.485 -4.837 1.00 0.00 H ATOM 157 N HIS A 11 -0.047 -5.658 0.400 1.00 0.00 N ATOM 158 CA HIS A 11 0.805 -6.628 1.152 1.00 0.00 C ATOM 159 C HIS A 11 0.681 -6.422 2.710 1.00 0.00 C ATOM 160 O HIS A 11 1.525 -5.728 3.295 1.00 0.00 O ATOM 161 CB HIS A 11 2.275 -6.534 0.653 1.00 0.00 C ATOM 162 CG HIS A 11 2.540 -6.802 -0.828 1.00 0.00 C ATOM 163 ND1 HIS A 11 2.290 -8.000 -1.461 1.00 0.00 N ATOM 164 CD2 HIS A 11 3.038 -5.869 -1.750 1.00 0.00 C ATOM 165 CE1 HIS A 11 2.643 -7.673 -2.742 1.00 0.00 C ATOM 166 NE2 HIS A 11 3.124 -6.420 -3.022 1.00 0.00 N ATOM 167 H HIS A 11 0.060 -4.629 0.364 1.00 0.00 H ATOM 168 HA HIS A 11 0.476 -7.665 0.948 1.00 0.00 H ATOM 169 HB2 HIS A 11 2.660 -5.536 0.925 1.00 0.00 H ATOM 170 HB3 HIS A 11 2.899 -7.234 1.238 1.00 0.00 H ATOM 171 HD1 HIS A 11 1.804 -8.829 -1.109 1.00 0.00 H ATOM 172 HD2 HIS A 11 3.291 -4.847 -1.509 1.00 0.00 H ATOM 173 HE1 HIS A 11 2.523 -8.389 -3.545 1.00 0.00 H ATOM 174 N PRO A 12 -0.309 -7.021 3.438 1.00 0.00 N ATOM 175 CA PRO A 12 -0.486 -6.787 4.901 1.00 0.00 C ATOM 176 C PRO A 12 0.450 -7.642 5.822 1.00 0.00 C ATOM 177 O PRO A 12 0.090 -8.666 6.400 1.00 0.00 O ATOM 178 CB PRO A 12 -1.997 -7.061 5.053 1.00 0.00 C ATOM 179 CG PRO A 12 -2.322 -8.124 4.001 1.00 0.00 C ATOM 180 CD PRO A 12 -1.429 -7.756 2.818 1.00 0.00 C ATOM 181 HA PRO A 12 -0.315 -5.720 5.148 1.00 0.00 H ATOM 182 HB2 PRO A 12 -2.283 -7.372 6.076 1.00 0.00 H ATOM 183 HB3 PRO A 12 -2.567 -6.134 4.837 1.00 0.00 H ATOM 184 HG2 PRO A 12 -2.053 -9.130 4.381 1.00 0.00 H ATOM 185 HG3 PRO A 12 -3.394 -8.151 3.730 1.00 0.00 H ATOM 186 HD2 PRO A 12 -1.081 -8.648 2.263 1.00 0.00 H ATOM 187 HD3 PRO A 12 -1.958 -7.107 2.093 1.00 0.00 H HETATM 188 N NH2 A 13 1.690 -7.244 6.006 1.00 0.00 N HETATM 189 HN1 NH2 A 13 2.009 -6.535 5.338 1.00 0.00 H HETATM 190 HN2 NH2 A 13 2.255 -7.920 6.526 1.00 0.00 H TER 191 NH2 A 13 ENDMDL CONECT 188 189 190 CONECT 189 188 CONECT 190 188 MASTER 172 0 1 2 0 0 0 6 98 1 3 1 END