HEADER ELECTRON TRANSPORT 07-SEP-01 1JXD TITLE SOLUTION STRUCTURE OF REDUCED CU(I) PLASTOCYANIN FROM TITLE 2 SYNECHOCYSTIS PCC6803 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PLASTOCYANIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; SOURCE 3 ORGANISM_TAXID: 1148; SOURCE 4 STRAIN: PCC6803; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BLR(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3D KEYWDS COPPER PROTEIN BETA BARREL ELECTRON TRANSFER, ELECTRON KEYWDS 2 TRANSPORT EXPDTA SOLUTION NMR AUTHOR I.BERTINI,D.A.BRYANT,S.CIURLI,A.DIKIY,C.O.FERNANDEZ, AUTHOR 2 C.LUCHINAT,N.SAFAROV,A.J.VILA,J.ZHAO REVDAT 3 24-FEB-09 1JXD 1 VERSN REVDAT 2 20-MAR-02 1JXD 1 JRNL REVDAT 1 26-SEP-01 1JXD 0 JRNL AUTH I.BERTINI,D.A.BRYANT,S.CIURLI,A.DIKIY, JRNL AUTH 2 C.O.FERNANDEZ,C.LUCHINAT,N.SAFAROV,A.J.VILA,J.ZHAO JRNL TITL BACKBONE DYNAMICS OF PLASTOCYANIN IN BOTH JRNL TITL 2 OXIDATION STATES. SOLUTION STRUCTURE OF THE JRNL TITL 3 REDUCED FORM AND COMPARISON WITH THE OXIDIZED JRNL TITL 4 STATE. JRNL REF J.BIOL.CHEM. V. 276 47217 2001 JRNL REFN ISSN 0021-9258 JRNL PMID 11509552 JRNL DOI 10.1074/JBC.M100304200 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH I.BERTINI,S.CIURLI,A.DIKIY,C.O.FERNANDEZ, REMARK 1 AUTH 2 C.LUCHINAT,N.SAFAROV,S.SHUMILIN,A.J.VILA REMARK 1 TITL THE FIRST SOLUTION STRUCTURE OF A PARAMAGNETIC REMARK 1 TITL 2 COPPER(II) PROTEIN: THE CASE OF OXIDIZED REMARK 1 TITL 3 PLASTOCYANIN FROM THE CYANOBACTERIUM SYNECHOCYSTIS REMARK 1 TITL 4 PCC6803 REMARK 1 REF J.AM.CHEM.SOC. V. 123 2405 2001 REMARK 1 REFN ISSN 0002-7863 REMARK 1 DOI 10.1021/JA0033685 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JXD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-SEP-01. REMARK 100 THE RCSB ID CODE IS RCSB014296. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 295 REMARK 210 PH : 5.2 REMARK 210 IONIC STRENGTH : 50 MM PHOSPHATE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 3 MM PLASTOCYANIN U-15N REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 700 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.0, XEASY 1.3.13 REMARK 210 METHOD USED : ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 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 SER A 11 -79.23 -169.99 REMARK 500 ASN A 34 -88.54 -132.27 REMARK 500 ALA A 65 80.54 -69.45 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CU A 99 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 39 ND1 REMARK 620 2 CYS A 83 SG 120.9 REMARK 620 3 HIS A 86 ND1 108.7 108.9 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU A 99 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1I0W RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) REMARK 900 PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803 - STRUCTURE ENSEMBLE REMARK 900 RELATED ID: 1I0Y RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) REMARK 900 PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803 - MINIMIZED AVERAGE REMARK 900 STRUCTURE REMARK 900 RELATED ID: 1JXF RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF REDUCED CU(I) PLASTOCYANIN FROM REMARK 900 SYNECHOCYSTIS PCC6803 DBREF 1JXD A 1 98 UNP P21697 PLAS_SYNY3 29 126 SEQADV 1JXD ASP A 98 UNP P21697 GLU 126 ENGINEERED SEQRES 1 A 98 ALA ASN ALA THR VAL LYS MET GLY SER ASP SER GLY ALA SEQRES 2 A 98 LEU VAL PHE GLU PRO SER THR VAL THR ILE LYS ALA GLY SEQRES 3 A 98 GLU GLU VAL LYS TRP VAL ASN ASN LYS LEU SER PRO HIS SEQRES 4 A 98 ASN ILE VAL PHE ALA ALA ASP GLY VAL ASP ALA ASP THR SEQRES 5 A 98 ALA ALA LYS LEU SER HIS LYS GLY LEU ALA PHE ALA ALA SEQRES 6 A 98 GLY GLU SER PHE THR SER THR PHE THR GLU PRO GLY THR SEQRES 7 A 98 TYR THR TYR TYR CYS GLU PRO HIS ARG GLY ALA GLY MET SEQRES 8 A 98 VAL GLY LYS VAL VAL VAL ASP HET CU A 99 1 HETNAM CU COPPER (II) ION FORMUL 2 CU CU 2+ HELIX 1 1 ASP A 49 SER A 57 1 9 SHEET 1 A 4 PHE A 16 GLU A 17 0 SHEET 2 A 4 ALA A 3 MET A 7 -1 N LYS A 6 O GLU A 17 SHEET 3 A 4 GLU A 28 ASN A 33 1 O VAL A 32 N MET A 7 SHEET 4 A 4 SER A 68 THR A 72 -1 O PHE A 69 N TRP A 31 SHEET 1 B 4 THR A 20 ILE A 23 0 SHEET 2 B 4 VAL A 92 VAL A 97 1 O VAL A 96 N VAL A 21 SHEET 3 B 4 GLY A 77 TYR A 82 -1 N TYR A 81 O GLY A 93 SHEET 4 B 4 VAL A 42 ALA A 44 -1 N VAL A 42 O TYR A 82 LINK CU CU A 99 ND1 HIS A 39 1555 1555 2.15 LINK CU CU A 99 SG CYS A 83 1555 1555 2.29 LINK CU CU A 99 ND1 HIS A 86 1555 1555 2.12 CISPEP 1 GLU A 17 PRO A 18 0 -9.62 CISPEP 2 SER A 37 PRO A 38 0 -2.25 SITE 1 AC1 4 HIS A 39 CYS A 83 HIS A 86 MET A 91 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 ATOM 1 N ALA A 1 -5.759 14.538 -7.939 1.00 10.00 N ATOM 2 CA ALA A 1 -4.299 14.378 -7.842 1.00 10.00 C ATOM 3 C ALA A 1 -3.977 13.308 -6.802 1.00 10.00 C ATOM 4 O ALA A 1 -3.995 13.577 -5.607 1.00 10.00 O ATOM 5 CB ALA A 1 -3.609 15.701 -7.497 1.00 10.00 C ATOM 6 H1 ALA A 1 -6.124 14.770 -7.013 1.00 10.00 H ATOM 7 H2 ALA A 1 -6.024 15.259 -8.589 1.00 10.00 H ATOM 8 H3 ALA A 1 -6.198 13.661 -8.178 1.00 10.00 H ATOM 9 HA ALA A 1 -3.921 14.059 -8.814 1.00 10.00 H ATOM 10 HB1 ALA A 1 -2.536 15.528 -7.399 1.00 10.00 H ATOM 11 HB2 ALA A 1 -3.778 16.429 -8.291 1.00 10.00 H ATOM 12 HB3 ALA A 1 -3.994 16.096 -6.555 1.00 10.00 H ATOM 13 N ASN A 2 -3.694 12.095 -7.270 1.00 10.00 N ATOM 14 CA ASN A 2 -3.443 10.955 -6.402 1.00 10.00 C ATOM 15 C ASN A 2 -2.075 11.068 -5.742 1.00 10.00 C ATOM 16 O ASN A 2 -1.128 11.563 -6.350 1.00 10.00 O ATOM 17 CB ASN A 2 -3.533 9.637 -7.185 1.00 10.00 C ATOM 18 CG ASN A 2 -2.702 9.621 -8.464 1.00 10.00 C ATOM 19 OD1 ASN A 2 -1.566 9.154 -8.496 1.00 10.00 O ATOM 20 ND2 ASN A 2 -3.283 10.121 -9.553 1.00 10.00 N ATOM 21 H ASN A 2 -3.625 11.952 -8.264 1.00 10.00 H ATOM 22 HA ASN A 2 -4.208 10.951 -5.625 1.00 10.00 H ATOM 23 HB2 ASN A 2 -3.212 8.812 -6.554 1.00 10.00 H ATOM 24 HB3 ASN A 2 -4.571 9.477 -7.449 1.00 10.00 H ATOM 25 HD21 ASN A 2 -4.273 10.335 -9.532 1.00 10.00 H ATOM 26 HD22 ASN A 2 -2.755 10.195 -10.407 1.00 10.00 H ATOM 27 N ALA A 3 -1.963 10.566 -4.509 1.00 10.00 N ATOM 28 CA ALA A 3 -0.664 10.370 -3.883 1.00 10.00 C ATOM 29 C ALA A 3 0.013 9.177 -4.557 1.00 10.00 C ATOM 30 O ALA A 3 -0.661 8.313 -5.116 1.00 10.00 O ATOM 31 CB ALA A 3 -0.814 10.147 -2.375 1.00 10.00 C ATOM 32 H ALA A 3 -2.779 10.149 -4.083 1.00 10.00 H ATOM 33 HA ALA A 3 -0.053 11.262 -4.036 1.00 10.00 H ATOM 34 HB1 ALA A 3 0.155 9.903 -1.941 1.00 10.00 H ATOM 35 HB2 ALA A 3 -1.180 11.060 -1.911 1.00 10.00 H ATOM 36 HB3 ALA A 3 -1.508 9.333 -2.169 1.00 10.00 H ATOM 37 N THR A 4 1.346 9.142 -4.525 1.00 10.00 N ATOM 38 CA THR A 4 2.152 8.078 -5.102 1.00 10.00 C ATOM 39 C THR A 4 3.084 7.550 -4.014 1.00 10.00 C ATOM 40 O THR A 4 3.921 8.298 -3.512 1.00 10.00 O ATOM 41 CB THR A 4 2.914 8.625 -6.317 1.00 10.00 C ATOM 42 OG1 THR A 4 1.981 8.969 -7.323 1.00 10.00 O ATOM 43 CG2 THR A 4 3.878 7.594 -6.912 1.00 10.00 C ATOM 44 H THR A 4 1.842 9.865 -4.023 1.00 10.00 H ATOM 45 HA THR A 4 1.522 7.265 -5.457 1.00 10.00 H ATOM 46 HB THR A 4 3.481 9.511 -6.025 1.00 10.00 H ATOM 47 HG1 THR A 4 1.233 9.417 -6.915 1.00 10.00 H ATOM 48 HG21 THR A 4 4.667 7.349 -6.200 1.00 10.00 H ATOM 49 HG22 THR A 4 3.332 6.688 -7.173 1.00 10.00 H ATOM 50 HG23 THR A 4 4.337 8.008 -7.810 1.00 10.00 H ATOM 51 N VAL A 5 2.928 6.276 -3.649 1.00 10.00 N ATOM 52 CA VAL A 5 3.817 5.560 -2.743 1.00 10.00 C ATOM 53 C VAL A 5 4.729 4.665 -3.594 1.00 10.00 C ATOM 54 O VAL A 5 4.364 4.297 -4.712 1.00 10.00 O ATOM 55 CB VAL A 5 2.963 4.746 -1.750 1.00 10.00 C ATOM 56 CG1 VAL A 5 3.794 3.803 -0.868 1.00 10.00 C ATOM 57 CG2 VAL A 5 2.147 5.655 -0.819 1.00 10.00 C ATOM 58 H VAL A 5 2.216 5.727 -4.119 1.00 10.00 H ATOM 59 HA VAL A 5 4.431 6.261 -2.182 1.00 10.00 H ATOM 60 HB VAL A 5 2.260 4.155 -2.334 1.00 10.00 H ATOM 61 HG11 VAL A 5 4.516 4.371 -0.283 1.00 10.00 H ATOM 62 HG12 VAL A 5 3.133 3.273 -0.187 1.00 10.00 H ATOM 63 HG13 VAL A 5 4.315 3.056 -1.463 1.00 10.00 H ATOM 64 HG21 VAL A 5 1.420 5.054 -0.273 1.00 10.00 H ATOM 65 HG22 VAL A 5 2.802 6.139 -0.093 1.00 10.00 H ATOM 66 HG23 VAL A 5 1.608 6.413 -1.387 1.00 10.00 H ATOM 67 N LYS A 6 5.903 4.290 -3.079 1.00 10.00 N ATOM 68 CA LYS A 6 6.743 3.262 -3.686 1.00 10.00 C ATOM 69 C LYS A 6 6.984 2.109 -2.705 1.00 10.00 C ATOM 70 O LYS A 6 7.310 2.337 -1.538 1.00 10.00 O ATOM 71 CB LYS A 6 8.039 3.852 -4.265 1.00 10.00 C ATOM 72 CG LYS A 6 8.546 5.130 -3.583 1.00 10.00 C ATOM 73 CD LYS A 6 9.862 5.572 -4.241 1.00 10.00 C ATOM 74 CE LYS A 6 10.225 7.013 -3.852 1.00 10.00 C ATOM 75 NZ LYS A 6 11.510 7.433 -4.448 1.00 10.00 N ATOM 76 H LYS A 6 6.182 4.661 -2.173 1.00 10.00 H ATOM 77 HA LYS A 6 6.217 2.824 -4.532 1.00 10.00 H ATOM 78 HB2 LYS A 6 8.812 3.086 -4.228 1.00 10.00 H ATOM 79 HB3 LYS A 6 7.850 4.091 -5.312 1.00 10.00 H ATOM 80 HG2 LYS A 6 7.800 5.918 -3.706 1.00 10.00 H ATOM 81 HG3 LYS A 6 8.701 4.948 -2.518 1.00 10.00 H ATOM 82 HD2 LYS A 6 10.657 4.886 -3.937 1.00 10.00 H ATOM 83 HD3 LYS A 6 9.757 5.521 -5.328 1.00 10.00 H ATOM 84 HE2 LYS A 6 9.442 7.684 -4.210 1.00 10.00 H ATOM 85 HE3 LYS A 6 10.292 7.100 -2.765 1.00 10.00 H ATOM 86 HZ1 LYS A 6 11.715 8.406 -4.295 1.00 10.00 H ATOM 87 HZ2 LYS A 6 12.291 6.871 -4.102 1.00 10.00 H ATOM 88 HZ3 LYS A 6 11.558 7.215 -5.447 1.00 10.00 H ATOM 89 N MET A 7 6.800 0.871 -3.184 1.00 10.00 N ATOM 90 CA MET A 7 7.037 -0.346 -2.417 1.00 10.00 C ATOM 91 C MET A 7 8.540 -0.619 -2.361 1.00 10.00 C ATOM 92 O MET A 7 9.036 -1.535 -3.019 1.00 10.00 O ATOM 93 CB MET A 7 6.324 -1.543 -3.061 1.00 10.00 C ATOM 94 CG MET A 7 4.801 -1.429 -3.099 1.00 10.00 C ATOM 95 SD MET A 7 3.970 -2.954 -3.625 1.00 10.00 S ATOM 96 CE MET A 7 4.606 -3.149 -5.301 1.00 10.00 C ATOM 97 H MET A 7 6.566 0.766 -4.168 1.00 10.00 H ATOM 98 HA MET A 7 6.660 -0.225 -1.399 1.00 10.00 H ATOM 99 HB2 MET A 7 6.694 -1.673 -4.078 1.00 10.00 H ATOM 100 HB3 MET A 7 6.569 -2.434 -2.481 1.00 10.00 H ATOM 101 HG2 MET A 7 4.440 -1.194 -2.098 1.00 10.00 H ATOM 102 HG3 MET A 7 4.511 -0.624 -3.774 1.00 10.00 H ATOM 103 HE1 MET A 7 5.675 -3.349 -5.267 1.00 10.00 H ATOM 104 HE2 MET A 7 4.099 -3.992 -5.766 1.00 10.00 H ATOM 105 HE3 MET A 7 4.406 -2.244 -5.873 1.00 10.00 H ATOM 106 N GLY A 8 9.268 0.176 -1.582 1.00 10.00 N ATOM 107 CA GLY A 8 10.708 0.046 -1.452 1.00 10.00 C ATOM 108 C GLY A 8 11.396 1.300 -1.962 1.00 10.00 C ATOM 109 O GLY A 8 10.909 1.948 -2.891 1.00 10.00 O ATOM 110 H GLY A 8 8.817 0.959 -1.114 1.00 10.00 H ATOM 111 HA2 GLY A 8 10.933 -0.101 -0.405 1.00 10.00 H ATOM 112 HA3 GLY A 8 11.104 -0.805 -2.005 1.00 10.00 H ATOM 113 N SER A 9 12.550 1.630 -1.380 1.00 10.00 N ATOM 114 CA SER A 9 13.373 2.699 -1.913 1.00 10.00 C ATOM 115 C SER A 9 13.813 2.329 -3.329 1.00 10.00 C ATOM 116 O SER A 9 14.165 1.180 -3.610 1.00 10.00 O ATOM 117 CB SER A 9 14.582 2.963 -1.007 1.00 10.00 C ATOM 118 OG SER A 9 15.292 1.764 -0.762 1.00 10.00 O ATOM 119 H SER A 9 12.938 1.026 -0.666 1.00 10.00 H ATOM 120 HA SER A 9 12.776 3.613 -1.950 1.00 10.00 H ATOM 121 HB2 SER A 9 15.239 3.689 -1.489 1.00 10.00 H ATOM 122 HB3 SER A 9 14.241 3.386 -0.060 1.00 10.00 H ATOM 123 HG SER A 9 14.773 1.246 -0.133 1.00 10.00 H ATOM 124 N ASP A 10 13.832 3.317 -4.218 1.00 10.00 N ATOM 125 CA ASP A 10 14.446 3.241 -5.531 1.00 10.00 C ATOM 126 C ASP A 10 15.960 3.317 -5.340 1.00 10.00 C ATOM 127 O ASP A 10 16.633 4.292 -5.667 1.00 10.00 O ATOM 128 CB ASP A 10 13.877 4.299 -6.490 1.00 10.00 C ATOM 129 CG ASP A 10 13.270 5.552 -5.859 1.00 10.00 C ATOM 130 OD1 ASP A 10 13.524 5.844 -4.666 1.00 10.00 O ATOM 131 OD2 ASP A 10 12.417 6.190 -6.515 1.00 10.00 O ATOM 132 H ASP A 10 13.583 4.262 -3.932 1.00 10.00 H ATOM 133 HA ASP A 10 14.224 2.268 -5.974 1.00 10.00 H ATOM 134 HB2 ASP A 10 14.661 4.578 -7.190 1.00 10.00 H ATOM 135 HB3 ASP A 10 13.091 3.803 -7.053 1.00 10.00 H ATOM 136 N SER A 11 16.466 2.231 -4.766 1.00 10.00 N ATOM 137 CA SER A 11 17.853 1.970 -4.428 1.00 10.00 C ATOM 138 C SER A 11 17.953 0.497 -4.024 1.00 10.00 C ATOM 139 O SER A 11 18.329 -0.335 -4.848 1.00 10.00 O ATOM 140 CB SER A 11 18.339 2.944 -3.342 1.00 10.00 C ATOM 141 OG SER A 11 19.655 2.617 -2.941 1.00 10.00 O ATOM 142 H SER A 11 15.767 1.526 -4.564 1.00 10.00 H ATOM 143 HA SER A 11 18.464 2.120 -5.320 1.00 10.00 H ATOM 144 HB2 SER A 11 18.341 3.958 -3.747 1.00 10.00 H ATOM 145 HB3 SER A 11 17.676 2.917 -2.477 1.00 10.00 H ATOM 146 HG SER A 11 19.980 3.289 -2.335 1.00 10.00 H ATOM 147 N GLY A 12 17.565 0.147 -2.792 1.00 10.00 N ATOM 148 CA GLY A 12 17.608 -1.242 -2.356 1.00 10.00 C ATOM 149 C GLY A 12 17.411 -1.411 -0.851 1.00 10.00 C ATOM 150 O GLY A 12 18.144 -2.167 -0.219 1.00 10.00 O ATOM 151 H GLY A 12 17.234 0.852 -2.148 1.00 10.00 H ATOM 152 HA2 GLY A 12 16.822 -1.796 -2.871 1.00 10.00 H ATOM 153 HA3 GLY A 12 18.571 -1.678 -2.625 1.00 10.00 H ATOM 154 N ALA A 13 16.393 -0.759 -0.282 1.00 10.00 N ATOM 155 CA ALA A 13 15.935 -1.003 1.082 1.00 10.00 C ATOM 156 C ALA A 13 14.407 -1.035 1.083 1.00 10.00 C ATOM 157 O ALA A 13 13.777 -0.136 0.518 1.00 10.00 O ATOM 158 CB ALA A 13 16.470 0.082 2.021 1.00 10.00 C ATOM 159 H ALA A 13 15.853 -0.106 -0.841 1.00 10.00 H ATOM 160 HA ALA A 13 16.304 -1.968 1.434 1.00 10.00 H ATOM 161 HB1 ALA A 13 17.560 0.073 2.007 1.00 10.00 H ATOM 162 HB2 ALA A 13 16.116 1.065 1.712 1.00 10.00 H ATOM 163 HB3 ALA A 13 16.127 -0.115 3.038 1.00 10.00 H ATOM 164 N LEU A 14 13.805 -2.070 1.678 1.00 10.00 N ATOM 165 CA LEU A 14 12.359 -2.213 1.672 1.00 10.00 C ATOM 166 C LEU A 14 11.745 -1.324 2.757 1.00 10.00 C ATOM 167 O LEU A 14 11.606 -1.726 3.907 1.00 10.00 O ATOM 168 CB LEU A 14 11.910 -3.686 1.751 1.00 10.00 C ATOM 169 CG LEU A 14 12.407 -4.554 2.927 1.00 10.00 C ATOM 170 CD1 LEU A 14 11.341 -5.611 3.230 1.00 10.00 C ATOM 171 CD2 LEU A 14 13.694 -5.322 2.606 1.00 10.00 C ATOM 172 H LEU A 14 14.357 -2.751 2.173 1.00 10.00 H ATOM 173 HA LEU A 14 11.981 -1.871 0.708 1.00 10.00 H ATOM 174 HB2 LEU A 14 10.821 -3.657 1.789 1.00 10.00 H ATOM 175 HB3 LEU A 14 12.176 -4.183 0.818 1.00 10.00 H ATOM 176 HG LEU A 14 12.565 -3.957 3.825 1.00 10.00 H ATOM 177 HD11 LEU A 14 11.167 -6.209 2.335 1.00 10.00 H ATOM 178 HD12 LEU A 14 11.673 -6.261 4.040 1.00 10.00 H ATOM 179 HD13 LEU A 14 10.410 -5.133 3.530 1.00 10.00 H ATOM 180 HD21 LEU A 14 13.539 -5.950 1.729 1.00 10.00 H ATOM 181 HD22 LEU A 14 14.528 -4.647 2.432 1.00 10.00 H ATOM 182 HD23 LEU A 14 13.946 -5.964 3.451 1.00 10.00 H ATOM 183 N VAL A 15 11.334 -0.121 2.359 1.00 10.00 N ATOM 184 CA VAL A 15 10.551 0.808 3.152 1.00 10.00 C ATOM 185 C VAL A 15 9.381 1.286 2.288 1.00 10.00 C ATOM 186 O VAL A 15 9.550 1.521 1.092 1.00 10.00 O ATOM 187 CB VAL A 15 11.436 1.972 3.641 1.00 10.00 C ATOM 188 CG1 VAL A 15 12.506 1.459 4.615 1.00 10.00 C ATOM 189 CG2 VAL A 15 12.128 2.734 2.500 1.00 10.00 C ATOM 190 H VAL A 15 11.571 0.186 1.430 1.00 10.00 H ATOM 191 HA VAL A 15 10.141 0.296 4.025 1.00 10.00 H ATOM 192 HB VAL A 15 10.802 2.675 4.183 1.00 10.00 H ATOM 193 HG11 VAL A 15 13.054 2.303 5.036 1.00 10.00 H ATOM 194 HG12 VAL A 15 12.036 0.906 5.428 1.00 10.00 H ATOM 195 HG13 VAL A 15 13.212 0.806 4.101 1.00 10.00 H ATOM 196 HG21 VAL A 15 12.736 3.537 2.918 1.00 10.00 H ATOM 197 HG22 VAL A 15 12.776 2.072 1.927 1.00 10.00 H ATOM 198 HG23 VAL A 15 11.392 3.182 1.834 1.00 10.00 H ATOM 199 N PHE A 16 8.193 1.407 2.882 1.00 10.00 N ATOM 200 CA PHE A 16 7.063 2.063 2.241 1.00 10.00 C ATOM 201 C PHE A 16 7.273 3.565 2.377 1.00 10.00 C ATOM 202 O PHE A 16 7.352 4.048 3.505 1.00 10.00 O ATOM 203 CB PHE A 16 5.761 1.676 2.946 1.00 10.00 C ATOM 204 CG PHE A 16 5.291 0.260 2.692 1.00 10.00 C ATOM 205 CD1 PHE A 16 4.572 -0.035 1.524 1.00 10.00 C ATOM 206 CD2 PHE A 16 5.529 -0.756 3.631 1.00 10.00 C ATOM 207 CE1 PHE A 16 4.026 -1.316 1.342 1.00 10.00 C ATOM 208 CE2 PHE A 16 5.024 -2.052 3.413 1.00 10.00 C ATOM 209 CZ PHE A 16 4.257 -2.328 2.276 1.00 10.00 C ATOM 210 H PHE A 16 8.120 1.216 3.870 1.00 10.00 H ATOM 211 HA PHE A 16 6.998 1.782 1.189 1.00 10.00 H ATOM 212 HB2 PHE A 16 5.865 1.846 4.020 1.00 10.00 H ATOM 213 HB3 PHE A 16 4.976 2.351 2.599 1.00 10.00 H ATOM 214 HD1 PHE A 16 4.417 0.735 0.784 1.00 10.00 H ATOM 215 HD2 PHE A 16 6.111 -0.535 4.511 1.00 10.00 H ATOM 216 HE1 PHE A 16 3.414 -1.551 0.501 1.00 10.00 H ATOM 217 HE2 PHE A 16 5.213 -2.857 4.097 1.00 10.00 H ATOM 218 HZ PHE A 16 3.855 -3.316 2.104 1.00 10.00 H ATOM 219 N GLU A 17 7.359 4.293 1.261 1.00 10.00 N ATOM 220 CA GLU A 17 7.584 5.732 1.278 1.00 10.00 C ATOM 221 C GLU A 17 6.636 6.408 0.277 1.00 10.00 C ATOM 222 O GLU A 17 6.583 5.955 -0.871 1.00 10.00 O ATOM 223 CB GLU A 17 9.054 6.004 0.945 1.00 10.00 C ATOM 224 CG GLU A 17 9.485 7.414 1.367 1.00 10.00 C ATOM 225 CD GLU A 17 10.924 7.680 0.945 1.00 10.00 C ATOM 226 OE1 GLU A 17 11.781 6.846 1.304 1.00 10.00 O ATOM 227 OE2 GLU A 17 11.128 8.690 0.239 1.00 10.00 O ATOM 228 H GLU A 17 7.298 3.836 0.358 1.00 10.00 H ATOM 229 HA GLU A 17 7.429 6.104 2.285 1.00 10.00 H ATOM 230 HB2 GLU A 17 9.686 5.298 1.487 1.00 10.00 H ATOM 231 HB3 GLU A 17 9.231 5.874 -0.123 1.00 10.00 H ATOM 232 HG2 GLU A 17 8.842 8.163 0.905 1.00 10.00 H ATOM 233 HG3 GLU A 17 9.422 7.511 2.452 1.00 10.00 H ATOM 234 N PRO A 18 5.900 7.471 0.662 1.00 10.00 N ATOM 235 CA PRO A 18 5.745 7.968 2.024 1.00 10.00 C ATOM 236 C PRO A 18 5.035 6.933 2.906 1.00 10.00 C ATOM 237 O PRO A 18 4.057 6.313 2.492 1.00 10.00 O ATOM 238 CB PRO A 18 4.929 9.264 1.932 1.00 10.00 C ATOM 239 CG PRO A 18 4.916 9.626 0.446 1.00 10.00 C ATOM 240 CD PRO A 18 5.147 8.296 -0.267 1.00 10.00 C ATOM 241 HA PRO A 18 6.719 8.220 2.442 1.00 10.00 H ATOM 242 HB2 PRO A 18 3.911 9.093 2.281 1.00 10.00 H ATOM 243 HB3 PRO A 18 5.381 10.062 2.524 1.00 10.00 H ATOM 244 HG2 PRO A 18 3.973 10.087 0.147 1.00 10.00 H ATOM 245 HG3 PRO A 18 5.745 10.301 0.228 1.00 10.00 H ATOM 246 HD2 PRO A 18 4.186 7.830 -0.470 1.00 10.00 H ATOM 247 HD3 PRO A 18 5.684 8.454 -1.203 1.00 10.00 H ATOM 248 N SER A 19 5.531 6.752 4.130 1.00 10.00 N ATOM 249 CA SER A 19 5.032 5.778 5.089 1.00 10.00 C ATOM 250 C SER A 19 3.670 6.182 5.658 1.00 10.00 C ATOM 251 O SER A 19 2.967 5.357 6.240 1.00 10.00 O ATOM 252 CB SER A 19 6.078 5.650 6.199 1.00 10.00 C ATOM 253 OG SER A 19 6.517 6.942 6.586 1.00 10.00 O ATOM 254 H SER A 19 6.332 7.285 4.438 1.00 10.00 H ATOM 255 HA SER A 19 4.919 4.808 4.602 1.00 10.00 H ATOM 256 HB2 SER A 19 5.666 5.102 7.049 1.00 10.00 H ATOM 257 HB3 SER A 19 6.935 5.096 5.813 1.00 10.00 H ATOM 258 HG SER A 19 5.856 7.345 7.157 1.00 10.00 H ATOM 259 N THR A 20 3.292 7.453 5.521 1.00 10.00 N ATOM 260 CA THR A 20 1.975 7.936 5.892 1.00 10.00 C ATOM 261 C THR A 20 1.563 8.988 4.877 1.00 10.00 C ATOM 262 O THR A 20 2.337 9.903 4.605 1.00 10.00 O ATOM 263 CB THR A 20 1.974 8.437 7.342 1.00 10.00 C ATOM 264 OG1 THR A 20 2.291 7.336 8.169 1.00 10.00 O ATOM 265 CG2 THR A 20 0.606 8.973 7.773 1.00 10.00 C ATOM 266 H THR A 20 3.896 8.098 5.028 1.00 10.00 H ATOM 267 HA THR A 20 1.269 7.117 5.830 1.00 10.00 H ATOM 268 HB THR A 20 2.723 9.221 7.469 1.00 10.00 H ATOM 269 HG1 THR A 20 2.111 6.532 7.665 1.00 10.00 H ATOM 270 HG21 THR A 20 0.349 9.867 7.203 1.00 10.00 H ATOM 271 HG22 THR A 20 -0.163 8.215 7.623 1.00 10.00 H ATOM 272 HG23 THR A 20 0.642 9.237 8.831 1.00 10.00 H ATOM 273 N VAL A 21 0.374 8.821 4.292 1.00 10.00 N ATOM 274 CA VAL A 21 -0.181 9.742 3.314 1.00 10.00 C ATOM 275 C VAL A 21 -1.542 10.228 3.810 1.00 10.00 C ATOM 276 O VAL A 21 -2.270 9.483 4.474 1.00 10.00 O ATOM 277 CB VAL A 21 -0.258 9.087 1.920 1.00 10.00 C ATOM 278 CG1 VAL A 21 1.108 8.541 1.488 1.00 10.00 C ATOM 279 CG2 VAL A 21 -1.294 7.961 1.846 1.00 10.00 C ATOM 280 H VAL A 21 -0.205 8.036 4.566 1.00 10.00 H ATOM 281 HA VAL A 21 0.468 10.615 3.226 1.00 10.00 H ATOM 282 HB VAL A 21 -0.541 9.858 1.203 1.00 10.00 H ATOM 283 HG11 VAL A 21 1.060 8.190 0.457 1.00 10.00 H ATOM 284 HG12 VAL A 21 1.842 9.342 1.547 1.00 10.00 H ATOM 285 HG13 VAL A 21 1.418 7.712 2.125 1.00 10.00 H ATOM 286 HG21 VAL A 21 -2.297 8.356 2.005 1.00 10.00 H ATOM 287 HG22 VAL A 21 -1.261 7.498 0.859 1.00 10.00 H ATOM 288 HG23 VAL A 21 -1.073 7.207 2.601 1.00 10.00 H ATOM 289 N THR A 22 -1.867 11.479 3.477 1.00 10.00 N ATOM 290 CA THR A 22 -3.132 12.118 3.784 1.00 10.00 C ATOM 291 C THR A 22 -3.683 12.669 2.474 1.00 10.00 C ATOM 292 O THR A 22 -3.033 13.512 1.857 1.00 10.00 O ATOM 293 CB THR A 22 -2.917 13.212 4.838 1.00 10.00 C ATOM 294 OG1 THR A 22 -2.226 12.660 5.942 1.00 10.00 O ATOM 295 CG2 THR A 22 -4.248 13.792 5.324 1.00 10.00 C ATOM 296 H THR A 22 -1.221 12.025 2.927 1.00 10.00 H ATOM 297 HA THR A 22 -3.817 11.382 4.186 1.00 10.00 H ATOM 298 HB THR A 22 -2.312 14.017 4.417 1.00 10.00 H ATOM 299 HG1 THR A 22 -2.676 11.853 6.206 1.00 10.00 H ATOM 300 HG21 THR A 22 -4.768 14.287 4.502 1.00 10.00 H ATOM 301 HG22 THR A 22 -4.885 13.001 5.720 1.00 10.00 H ATOM 302 HG23 THR A 22 -4.061 14.526 6.109 1.00 10.00 H ATOM 303 N ILE A 23 -4.832 12.159 2.025 1.00 10.00 N ATOM 304 CA ILE A 23 -5.477 12.565 0.777 1.00 10.00 C ATOM 305 C ILE A 23 -6.989 12.572 0.989 1.00 10.00 C ATOM 306 O ILE A 23 -7.457 12.126 2.038 1.00 10.00 O ATOM 307 CB ILE A 23 -5.078 11.652 -0.395 1.00 10.00 C ATOM 308 CG1 ILE A 23 -5.642 10.244 -0.218 1.00 10.00 C ATOM 309 CG2 ILE A 23 -3.571 11.481 -0.535 1.00 10.00 C ATOM 310 CD1 ILE A 23 -6.983 10.039 -0.923 1.00 10.00 C ATOM 311 H ILE A 23 -5.353 11.523 2.622 1.00 10.00 H ATOM 312 HA ILE A 23 -5.175 13.580 0.528 1.00 10.00 H ATOM 313 HB ILE A 23 -5.431 12.092 -1.329 1.00 10.00 H ATOM 314 HG12 ILE A 23 -4.938 9.527 -0.638 1.00 10.00 H ATOM 315 HG13 ILE A 23 -5.736 10.043 0.848 1.00 10.00 H ATOM 316 HG21 ILE A 23 -3.402 10.926 -1.457 1.00 10.00 H ATOM 317 HG22 ILE A 23 -3.079 12.450 -0.592 1.00 10.00 H ATOM 318 HG23 ILE A 23 -3.191 10.896 0.302 1.00 10.00 H ATOM 319 HD11 ILE A 23 -7.747 9.778 -0.193 1.00 10.00 H ATOM 320 HD12 ILE A 23 -7.296 10.940 -1.436 1.00 10.00 H ATOM 321 HD13 ILE A 23 -6.877 9.234 -1.652 1.00 10.00 H ATOM 322 N LYS A 24 -7.745 13.088 0.016 1.00 10.00 N ATOM 323 CA LYS A 24 -9.144 13.403 0.234 1.00 10.00 C ATOM 324 C LYS A 24 -10.081 12.249 -0.120 1.00 10.00 C ATOM 325 O LYS A 24 -9.854 11.484 -1.061 1.00 10.00 O ATOM 326 CB LYS A 24 -9.564 14.634 -0.564 1.00 10.00 C ATOM 327 CG LYS A 24 -8.517 15.754 -0.522 1.00 10.00 C ATOM 328 CD LYS A 24 -9.035 16.986 -1.266 1.00 10.00 C ATOM 329 CE LYS A 24 -8.032 18.136 -1.117 1.00 10.00 C ATOM 330 NZ LYS A 24 -8.468 19.342 -1.848 1.00 10.00 N ATOM 331 H LYS A 24 -7.341 13.326 -0.880 1.00 10.00 H ATOM 332 HA LYS A 24 -9.256 13.667 1.284 1.00 10.00 H ATOM 333 HB2 LYS A 24 -9.764 14.297 -1.576 1.00 10.00 H ATOM 334 HB3 LYS A 24 -10.500 15.002 -0.145 1.00 10.00 H ATOM 335 HG2 LYS A 24 -8.315 15.997 0.523 1.00 10.00 H ATOM 336 HG3 LYS A 24 -7.594 15.424 -1.003 1.00 10.00 H ATOM 337 HD2 LYS A 24 -9.162 16.716 -2.318 1.00 10.00 H ATOM 338 HD3 LYS A 24 -10.004 17.268 -0.847 1.00 10.00 H ATOM 339 HE2 LYS A 24 -7.924 18.381 -0.058 1.00 10.00 H ATOM 340 HE3 LYS A 24 -7.060 17.818 -1.501 1.00 10.00 H ATOM 341 HZ1 LYS A 24 -7.794 20.083 -1.716 1.00 10.00 H ATOM 342 HZ2 LYS A 24 -8.543 19.136 -2.835 1.00 10.00 H ATOM 343 HZ3 LYS A 24 -9.367 19.649 -1.502 1.00 10.00 H ATOM 344 N ALA A 25 -11.191 12.211 0.602 1.00 10.00 N ATOM 345 CA ALA A 25 -12.302 11.297 0.410 1.00 10.00 C ATOM 346 C ALA A 25 -12.822 11.385 -1.028 1.00 10.00 C ATOM 347 O ALA A 25 -13.387 12.406 -1.418 1.00 10.00 O ATOM 348 CB ALA A 25 -13.403 11.638 1.417 1.00 10.00 C ATOM 349 H ALA A 25 -11.239 12.899 1.355 1.00 10.00 H ATOM 350 HA ALA A 25 -11.955 10.286 0.620 1.00 10.00 H ATOM 351 HB1 ALA A 25 -14.261 10.984 1.267 1.00 10.00 H ATOM 352 HB2 ALA A 25 -13.026 11.506 2.432 1.00 10.00 H ATOM 353 HB3 ALA A 25 -13.719 12.674 1.290 1.00 10.00 H ATOM 354 N GLY A 26 -12.631 10.325 -1.817 1.00 10.00 N ATOM 355 CA GLY A 26 -13.093 10.228 -3.194 1.00 10.00 C ATOM 356 C GLY A 26 -11.926 10.187 -4.174 1.00 10.00 C ATOM 357 O GLY A 26 -12.099 9.714 -5.296 1.00 10.00 O ATOM 358 H GLY A 26 -12.089 9.549 -1.460 1.00 10.00 H ATOM 359 HA2 GLY A 26 -13.654 9.299 -3.308 1.00 10.00 H ATOM 360 HA3 GLY A 26 -13.745 11.060 -3.461 1.00 10.00 H ATOM 361 N GLU A 27 -10.745 10.665 -3.769 1.00 10.00 N ATOM 362 CA GLU A 27 -9.559 10.567 -4.608 1.00 10.00 C ATOM 363 C GLU A 27 -9.018 9.141 -4.543 1.00 10.00 C ATOM 364 O GLU A 27 -9.543 8.282 -3.828 1.00 10.00 O ATOM 365 CB GLU A 27 -8.520 11.601 -4.155 1.00 10.00 C ATOM 366 CG GLU A 27 -7.768 12.346 -5.270 1.00 10.00 C ATOM 367 CD GLU A 27 -7.313 13.736 -4.825 1.00 10.00 C ATOM 368 OE1 GLU A 27 -7.190 13.965 -3.600 1.00 10.00 O ATOM 369 OE2 GLU A 27 -7.105 14.566 -5.740 1.00 10.00 O ATOM 370 H GLU A 27 -10.624 10.974 -2.807 1.00 10.00 H ATOM 371 HA GLU A 27 -9.831 10.788 -5.637 1.00 10.00 H ATOM 372 HB2 GLU A 27 -9.049 12.341 -3.581 1.00 10.00 H ATOM 373 HB3 GLU A 27 -7.795 11.135 -3.500 1.00 10.00 H ATOM 374 HG2 GLU A 27 -6.894 11.765 -5.568 1.00 10.00 H ATOM 375 HG3 GLU A 27 -8.416 12.468 -6.137 1.00 10.00 H ATOM 376 N GLU A 28 -7.949 8.901 -5.291 1.00 10.00 N ATOM 377 CA GLU A 28 -7.260 7.622 -5.341 1.00 10.00 C ATOM 378 C GLU A 28 -5.792 7.786 -4.947 1.00 10.00 C ATOM 379 O GLU A 28 -5.296 8.899 -4.772 1.00 10.00 O ATOM 380 CB GLU A 28 -7.476 6.946 -6.711 1.00 10.00 C ATOM 381 CG GLU A 28 -6.687 7.522 -7.899 1.00 10.00 C ATOM 382 CD GLU A 28 -7.154 8.907 -8.346 1.00 10.00 C ATOM 383 OE1 GLU A 28 -6.966 9.870 -7.569 1.00 10.00 O ATOM 384 OE2 GLU A 28 -7.652 8.988 -9.487 1.00 10.00 O ATOM 385 H GLU A 28 -7.579 9.673 -5.852 1.00 10.00 H ATOM 386 HA GLU A 28 -7.693 6.963 -4.591 1.00 10.00 H ATOM 387 HB2 GLU A 28 -7.188 5.902 -6.615 1.00 10.00 H ATOM 388 HB3 GLU A 28 -8.540 6.971 -6.953 1.00 10.00 H ATOM 389 HG2 GLU A 28 -5.624 7.536 -7.670 1.00 10.00 H ATOM 390 HG3 GLU A 28 -6.814 6.842 -8.744 1.00 10.00 H ATOM 391 N VAL A 29 -5.095 6.663 -4.782 1.00 10.00 N ATOM 392 CA VAL A 29 -3.676 6.611 -4.464 1.00 10.00 C ATOM 393 C VAL A 29 -3.057 5.507 -5.301 1.00 10.00 C ATOM 394 O VAL A 29 -3.659 4.440 -5.417 1.00 10.00 O ATOM 395 CB VAL A 29 -3.494 6.369 -2.960 1.00 10.00 C ATOM 396 CG1 VAL A 29 -2.060 5.993 -2.568 1.00 10.00 C ATOM 397 CG2 VAL A 29 -3.908 7.646 -2.227 1.00 10.00 C ATOM 398 H VAL A 29 -5.579 5.777 -4.891 1.00 10.00 H ATOM 399 HA VAL A 29 -3.190 7.548 -4.730 1.00 10.00 H ATOM 400 HB VAL A 29 -4.140 5.546 -2.653 1.00 10.00 H ATOM 401 HG11 VAL A 29 -1.777 5.046 -3.026 1.00 10.00 H ATOM 402 HG12 VAL A 29 -1.365 6.773 -2.877 1.00 10.00 H ATOM 403 HG13 VAL A 29 -2.012 5.865 -1.487 1.00 10.00 H ATOM 404 HG21 VAL A 29 -4.995 7.679 -2.167 1.00 10.00 H ATOM 405 HG22 VAL A 29 -3.480 7.663 -1.229 1.00 10.00 H ATOM 406 HG23 VAL A 29 -3.559 8.531 -2.754 1.00 10.00 H ATOM 407 N LYS A 30 -1.884 5.781 -5.882 1.00 10.00 N ATOM 408 CA LYS A 30 -1.100 4.847 -6.669 1.00 10.00 C ATOM 409 C LYS A 30 0.062 4.313 -5.816 1.00 10.00 C ATOM 410 O LYS A 30 0.598 5.032 -4.971 1.00 10.00 O ATOM 411 CB LYS A 30 -0.578 5.544 -7.940 1.00 10.00 C ATOM 412 CG LYS A 30 -0.073 4.530 -8.986 1.00 10.00 C ATOM 413 CD LYS A 30 1.039 5.074 -9.901 1.00 10.00 C ATOM 414 CE LYS A 30 0.531 5.502 -11.282 1.00 10.00 C ATOM 415 NZ LYS A 30 -0.355 6.679 -11.202 1.00 10.00 N ATOM 416 H LYS A 30 -1.449 6.672 -5.679 1.00 10.00 H ATOM 417 HA LYS A 30 -1.760 4.042 -6.969 1.00 10.00 H ATOM 418 HB2 LYS A 30 -1.381 6.133 -8.385 1.00 10.00 H ATOM 419 HB3 LYS A 30 0.222 6.223 -7.644 1.00 10.00 H ATOM 420 HG2 LYS A 30 0.369 3.678 -8.479 1.00 10.00 H ATOM 421 HG3 LYS A 30 -0.917 4.133 -9.557 1.00 10.00 H ATOM 422 HD2 LYS A 30 1.584 5.886 -9.413 1.00 10.00 H ATOM 423 HD3 LYS A 30 1.760 4.268 -10.064 1.00 10.00 H ATOM 424 HE2 LYS A 30 1.394 5.741 -11.909 1.00 10.00 H ATOM 425 HE3 LYS A 30 0.003 4.665 -11.745 1.00 10.00 H ATOM 426 HZ1 LYS A 30 -1.151 6.473 -10.615 1.00 10.00 H ATOM 427 HZ2 LYS A 30 0.142 7.465 -10.807 1.00 10.00 H ATOM 428 HZ3 LYS A 30 -0.678 6.921 -12.128 1.00 10.00 H ATOM 429 N TRP A 31 0.490 3.076 -6.079 1.00 10.00 N ATOM 430 CA TRP A 31 1.751 2.515 -5.621 1.00 10.00 C ATOM 431 C TRP A 31 2.600 2.130 -6.824 1.00 10.00 C ATOM 432 O TRP A 31 2.058 1.645 -7.819 1.00 10.00 O ATOM 433 CB TRP A 31 1.506 1.272 -4.776 1.00 10.00 C ATOM 434 CG TRP A 31 0.951 1.557 -3.424 1.00 10.00 C ATOM 435 CD1 TRP A 31 1.623 1.598 -2.253 1.00 10.00 C ATOM 436 CD2 TRP A 31 -0.434 1.823 -3.099 1.00 10.00 C ATOM 437 NE1 TRP A 31 0.740 1.882 -1.232 1.00 10.00 N ATOM 438 CE2 TRP A 31 -0.552 2.006 -1.693 1.00 10.00 C ATOM 439 CE3 TRP A 31 -1.604 1.912 -3.868 1.00 10.00 C ATOM 440 CZ2 TRP A 31 -1.785 2.240 -1.069 1.00 10.00 C ATOM 441 CZ3 TRP A 31 -2.834 2.174 -3.263 1.00 10.00 C ATOM 442 CH2 TRP A 31 -2.934 2.327 -1.867 1.00 10.00 C ATOM 443 H TRP A 31 -0.017 2.536 -6.768 1.00 10.00 H ATOM 444 HA TRP A 31 2.275 3.245 -5.013 1.00 10.00 H ATOM 445 HB2 TRP A 31 0.808 0.625 -5.306 1.00 10.00 H ATOM 446 HB3 TRP A 31 2.433 0.716 -4.674 1.00 10.00 H ATOM 447 HD1 TRP A 31 2.684 1.443 -2.129 1.00 10.00 H ATOM 448 HE1 TRP A 31 1.024 1.981 -0.272 1.00 10.00 H ATOM 449 HE3 TRP A 31 -1.562 1.779 -4.938 1.00 10.00 H ATOM 450 HZ2 TRP A 31 -1.855 2.338 0.004 1.00 10.00 H ATOM 451 HZ3 TRP A 31 -3.680 2.244 -3.917 1.00 10.00 H ATOM 452 HH2 TRP A 31 -3.887 2.506 -1.402 1.00 10.00 H ATOM 453 N VAL A 32 3.915 2.324 -6.705 1.00 10.00 N ATOM 454 CA VAL A 32 4.924 1.948 -7.686 1.00 10.00 C ATOM 455 C VAL A 32 5.742 0.765 -7.146 1.00 10.00 C ATOM 456 O VAL A 32 6.193 0.793 -5.999 1.00 10.00 O ATOM 457 CB VAL A 32 5.794 3.185 -7.980 1.00 10.00 C ATOM 458 CG1 VAL A 32 7.005 2.854 -8.860 1.00 10.00 C ATOM 459 CG2 VAL A 32 4.955 4.267 -8.673 1.00 10.00 C ATOM 460 H VAL A 32 4.243 2.802 -5.870 1.00 10.00 H ATOM 461 HA VAL A 32 4.446 1.640 -8.616 1.00 10.00 H ATOM 462 HB VAL A 32 6.166 3.592 -7.039 1.00 10.00 H ATOM 463 HG11 VAL A 32 7.710 2.233 -8.308 1.00 10.00 H ATOM 464 HG12 VAL A 32 6.687 2.331 -9.763 1.00 10.00 H ATOM 465 HG13 VAL A 32 7.518 3.774 -9.142 1.00 10.00 H ATOM 466 HG21 VAL A 32 5.568 5.152 -8.851 1.00 10.00 H ATOM 467 HG22 VAL A 32 4.582 3.896 -9.628 1.00 10.00 H ATOM 468 HG23 VAL A 32 4.111 4.555 -8.048 1.00 10.00 H ATOM 469 N ASN A 33 5.928 -0.279 -7.964 1.00 10.00 N ATOM 470 CA ASN A 33 6.837 -1.384 -7.666 1.00 10.00 C ATOM 471 C ASN A 33 8.279 -0.946 -7.933 1.00 10.00 C ATOM 472 O ASN A 33 8.505 -0.178 -8.865 1.00 10.00 O ATOM 473 CB ASN A 33 6.471 -2.583 -8.550 1.00 10.00 C ATOM 474 CG ASN A 33 7.187 -3.869 -8.149 1.00 10.00 C ATOM 475 OD1 ASN A 33 7.725 -3.974 -7.049 1.00 10.00 O ATOM 476 ND2 ASN A 33 7.166 -4.870 -9.026 1.00 10.00 N ATOM 477 H ASN A 33 5.503 -0.273 -8.885 1.00 10.00 H ATOM 478 HA ASN A 33 6.726 -1.652 -6.615 1.00 10.00 H ATOM 479 HB2 ASN A 33 5.400 -2.770 -8.462 1.00 10.00 H ATOM 480 HB3 ASN A 33 6.701 -2.347 -9.591 1.00 10.00 H ATOM 481 HD21 ASN A 33 6.818 -4.721 -9.972 1.00 10.00 H ATOM 482 HD22 ASN A 33 7.462 -5.789 -8.720 1.00 10.00 H ATOM 483 N ASN A 34 9.247 -1.422 -7.140 1.00 10.00 N ATOM 484 CA ASN A 34 10.653 -1.031 -7.270 1.00 10.00 C ATOM 485 C ASN A 34 11.569 -2.256 -7.258 1.00 10.00 C ATOM 486 O ASN A 34 11.927 -2.770 -8.317 1.00 10.00 O ATOM 487 CB ASN A 34 11.048 -0.005 -6.180 1.00 10.00 C ATOM 488 CG ASN A 34 10.954 1.456 -6.625 1.00 10.00 C ATOM 489 OD1 ASN A 34 10.955 1.769 -7.810 1.00 10.00 O ATOM 490 ND2 ASN A 34 10.926 2.387 -5.677 1.00 10.00 N ATOM 491 H ASN A 34 9.000 -2.123 -6.453 1.00 10.00 H ATOM 492 HA ASN A 34 10.825 -0.590 -8.252 1.00 10.00 H ATOM 493 HB2 ASN A 34 10.442 -0.162 -5.286 1.00 10.00 H ATOM 494 HB3 ASN A 34 12.096 -0.140 -5.907 1.00 10.00 H ATOM 495 HD21 ASN A 34 10.936 2.140 -4.690 1.00 10.00 H ATOM 496 HD22 ASN A 34 10.949 3.352 -5.966 1.00 10.00 H ATOM 497 N LYS A 35 12.004 -2.694 -6.074 1.00 10.00 N ATOM 498 CA LYS A 35 13.035 -3.708 -5.889 1.00 10.00 C ATOM 499 C LYS A 35 12.690 -4.525 -4.649 1.00 10.00 C ATOM 500 O LYS A 35 11.792 -4.148 -3.901 1.00 10.00 O ATOM 501 CB LYS A 35 14.411 -3.030 -5.726 1.00 10.00 C ATOM 502 CG LYS A 35 15.060 -2.668 -7.068 1.00 10.00 C ATOM 503 CD LYS A 35 15.703 -3.905 -7.714 1.00 10.00 C ATOM 504 CE LYS A 35 15.913 -3.685 -9.218 1.00 10.00 C ATOM 505 NZ LYS A 35 16.584 -4.837 -9.856 1.00 10.00 N ATOM 506 H LYS A 35 11.602 -2.316 -5.226 1.00 10.00 H ATOM 507 HA LYS A 35 13.034 -4.395 -6.735 1.00 10.00 H ATOM 508 HB2 LYS A 35 14.286 -2.123 -5.131 1.00 10.00 H ATOM 509 HB3 LYS A 35 15.100 -3.683 -5.189 1.00 10.00 H ATOM 510 HG2 LYS A 35 14.313 -2.225 -7.726 1.00 10.00 H ATOM 511 HG3 LYS A 35 15.836 -1.920 -6.891 1.00 10.00 H ATOM 512 HD2 LYS A 35 16.656 -4.093 -7.213 1.00 10.00 H ATOM 513 HD3 LYS A 35 15.060 -4.774 -7.573 1.00 10.00 H ATOM 514 HE2 LYS A 35 14.939 -3.538 -9.690 1.00 10.00 H ATOM 515 HE3 LYS A 35 16.514 -2.786 -9.373 1.00 10.00 H ATOM 516 HZ1 LYS A 35 16.666 -4.675 -10.851 1.00 10.00 H ATOM 517 HZ2 LYS A 35 17.510 -4.961 -9.470 1.00 10.00 H ATOM 518 HZ3 LYS A 35 16.047 -5.681 -9.710 1.00 10.00 H ATOM 519 N LEU A 36 13.412 -5.631 -4.439 1.00 10.00 N ATOM 520 CA LEU A 36 13.218 -6.545 -3.315 1.00 10.00 C ATOM 521 C LEU A 36 11.835 -7.197 -3.409 1.00 10.00 C ATOM 522 O LEU A 36 11.191 -7.461 -2.397 1.00 10.00 O ATOM 523 CB LEU A 36 13.435 -5.828 -1.968 1.00 10.00 C ATOM 524 CG LEU A 36 14.749 -5.028 -1.905 1.00 10.00 C ATOM 525 CD1 LEU A 36 14.623 -3.920 -0.862 1.00 10.00 C ATOM 526 CD2 LEU A 36 15.936 -5.932 -1.554 1.00 10.00 C ATOM 527 H LEU A 36 14.138 -5.861 -5.098 1.00 10.00 H ATOM 528 HA LEU A 36 13.958 -7.341 -3.402 1.00 10.00 H ATOM 529 HB2 LEU A 36 12.598 -5.156 -1.780 1.00 10.00 H ATOM 530 HB3 LEU A 36 13.430 -6.569 -1.167 1.00 10.00 H ATOM 531 HG LEU A 36 14.962 -4.534 -2.850 1.00 10.00 H ATOM 532 HD11 LEU A 36 13.814 -3.240 -1.135 1.00 10.00 H ATOM 533 HD12 LEU A 36 15.554 -3.362 -0.817 1.00 10.00 H ATOM 534 HD13 LEU A 36 14.423 -4.356 0.112 1.00 10.00 H ATOM 535 HD21 LEU A 36 16.046 -6.714 -2.304 1.00 10.00 H ATOM 536 HD22 LEU A 36 16.851 -5.339 -1.526 1.00 10.00 H ATOM 537 HD23 LEU A 36 15.782 -6.390 -0.576 1.00 10.00 H ATOM 538 N SER A 37 11.380 -7.439 -4.641 1.00 10.00 N ATOM 539 CA SER A 37 10.102 -8.048 -4.944 1.00 10.00 C ATOM 540 C SER A 37 10.135 -9.539 -4.564 1.00 10.00 C ATOM 541 O SER A 37 11.217 -10.118 -4.450 1.00 10.00 O ATOM 542 CB SER A 37 9.845 -7.819 -6.442 1.00 10.00 C ATOM 543 OG SER A 37 11.059 -7.944 -7.164 1.00 10.00 O ATOM 544 H SER A 37 11.965 -7.284 -5.451 1.00 10.00 H ATOM 545 HA SER A 37 9.342 -7.524 -4.367 1.00 10.00 H ATOM 546 HB2 SER A 37 9.108 -8.521 -6.832 1.00 10.00 H ATOM 547 HB3 SER A 37 9.464 -6.805 -6.584 1.00 10.00 H ATOM 548 HG SER A 37 10.857 -7.977 -8.105 1.00 10.00 H ATOM 549 N PRO A 38 8.974 -10.189 -4.391 1.00 10.00 N ATOM 550 CA PRO A 38 7.644 -9.609 -4.483 1.00 10.00 C ATOM 551 C PRO A 38 7.328 -8.727 -3.280 1.00 10.00 C ATOM 552 O PRO A 38 7.828 -8.956 -2.182 1.00 10.00 O ATOM 553 CB PRO A 38 6.695 -10.804 -4.519 1.00 10.00 C ATOM 554 CG PRO A 38 7.434 -11.873 -3.716 1.00 10.00 C ATOM 555 CD PRO A 38 8.894 -11.608 -4.087 1.00 10.00 C ATOM 556 HA PRO A 38 7.514 -9.037 -5.400 1.00 10.00 H ATOM 557 HB2 PRO A 38 5.707 -10.580 -4.112 1.00 10.00 H ATOM 558 HB3 PRO A 38 6.618 -11.130 -5.551 1.00 10.00 H ATOM 559 HG2 PRO A 38 7.289 -11.692 -2.650 1.00 10.00 H ATOM 560 HG3 PRO A 38 7.115 -12.883 -3.975 1.00 10.00 H ATOM 561 HD2 PRO A 38 9.552 -11.883 -3.263 1.00 10.00 H ATOM 562 HD3 PRO A 38 9.160 -12.177 -4.979 1.00 10.00 H ATOM 563 N HIS A 39 6.457 -7.745 -3.511 1.00 10.00 N ATOM 564 CA HIS A 39 5.665 -7.132 -2.465 1.00 10.00 C ATOM 565 C HIS A 39 4.213 -7.227 -2.925 1.00 10.00 C ATOM 566 O HIS A 39 3.957 -7.360 -4.124 1.00 10.00 O ATOM 567 CB HIS A 39 6.047 -5.660 -2.262 1.00 10.00 C ATOM 568 CG HIS A 39 7.512 -5.388 -2.039 1.00 10.00 C ATOM 569 ND1 HIS A 39 8.248 -5.637 -0.874 1.00 10.00 N ATOM 570 CD2 HIS A 39 8.362 -4.827 -2.944 1.00 10.00 C ATOM 571 CE1 HIS A 39 9.512 -5.231 -1.112 1.00 10.00 C ATOM 572 NE2 HIS A 39 9.581 -4.738 -2.353 1.00 10.00 N ATOM 573 H HIS A 39 6.035 -7.680 -4.429 1.00 10.00 H ATOM 574 HA HIS A 39 5.787 -7.682 -1.534 1.00 10.00 H ATOM 575 HB2 HIS A 39 5.743 -5.109 -3.150 1.00 10.00 H ATOM 576 HB3 HIS A 39 5.490 -5.265 -1.411 1.00 10.00 H ATOM 577 HD2 HIS A 39 8.117 -4.504 -3.946 1.00 10.00 H ATOM 578 HE1 HIS A 39 10.331 -5.296 -0.412 1.00 10.00 H ATOM 579 HE2 HIS A 39 10.413 -4.360 -2.793 1.00 10.00 H ATOM 580 N ASN A 40 3.282 -7.125 -1.982 1.00 10.00 N ATOM 581 CA ASN A 40 1.888 -6.785 -2.220 1.00 10.00 C ATOM 582 C ASN A 40 1.527 -5.673 -1.238 1.00 10.00 C ATOM 583 O ASN A 40 2.324 -5.348 -0.360 1.00 10.00 O ATOM 584 CB ASN A 40 0.936 -7.993 -2.118 1.00 10.00 C ATOM 585 CG ASN A 40 1.166 -8.997 -0.998 1.00 10.00 C ATOM 586 OD1 ASN A 40 1.993 -8.808 -0.110 1.00 10.00 O ATOM 587 ND2 ASN A 40 0.381 -10.071 -1.056 1.00 10.00 N ATOM 588 H ASN A 40 3.576 -7.024 -1.015 1.00 10.00 H ATOM 589 HA ASN A 40 1.779 -6.364 -3.222 1.00 10.00 H ATOM 590 HB2 ASN A 40 -0.063 -7.616 -1.953 1.00 10.00 H ATOM 591 HB3 ASN A 40 0.913 -8.537 -3.057 1.00 10.00 H ATOM 592 HD21 ASN A 40 -0.272 -10.169 -1.813 1.00 10.00 H ATOM 593 HD22 ASN A 40 0.370 -10.808 -0.338 1.00 10.00 H ATOM 594 N ILE A 41 0.359 -5.056 -1.417 1.00 10.00 N ATOM 595 CA ILE A 41 -0.134 -3.985 -0.559 1.00 10.00 C ATOM 596 C ILE A 41 -1.430 -4.511 0.019 1.00 10.00 C ATOM 597 O ILE A 41 -2.461 -4.475 -0.642 1.00 10.00 O ATOM 598 CB ILE A 41 -0.344 -2.719 -1.403 1.00 10.00 C ATOM 599 CG1 ILE A 41 1.023 -2.100 -1.715 1.00 10.00 C ATOM 600 CG2 ILE A 41 -1.226 -1.655 -0.731 1.00 10.00 C ATOM 601 CD1 ILE A 41 1.029 -1.600 -3.153 1.00 10.00 C ATOM 602 H ILE A 41 -0.280 -5.411 -2.120 1.00 10.00 H ATOM 603 HA ILE A 41 0.552 -3.756 0.258 1.00 10.00 H ATOM 604 HB ILE A 41 -0.831 -3.011 -2.335 1.00 10.00 H ATOM 605 HG12 ILE A 41 1.229 -1.276 -1.032 1.00 10.00 H ATOM 606 HG13 ILE A 41 1.822 -2.833 -1.611 1.00 10.00 H ATOM 607 HG21 ILE A 41 -1.218 -0.745 -1.330 1.00 10.00 H ATOM 608 HG22 ILE A 41 -2.260 -1.989 -0.651 1.00 10.00 H ATOM 609 HG23 ILE A 41 -0.849 -1.429 0.263 1.00 10.00 H ATOM 610 HD11 ILE A 41 1.927 -1.009 -3.307 1.00 10.00 H ATOM 611 HD12 ILE A 41 1.048 -2.452 -3.829 1.00 10.00 H ATOM 612 HD13 ILE A 41 0.142 -1.000 -3.352 1.00 10.00 H ATOM 613 N VAL A 42 -1.370 -5.047 1.232 1.00 10.00 N ATOM 614 CA VAL A 42 -2.474 -5.789 1.804 1.00 10.00 C ATOM 615 C VAL A 42 -2.981 -4.964 2.981 1.00 10.00 C ATOM 616 O VAL A 42 -2.243 -4.774 3.950 1.00 10.00 O ATOM 617 CB VAL A 42 -2.012 -7.219 2.161 1.00 10.00 C ATOM 618 CG1 VAL A 42 -3.134 -8.207 1.835 1.00 10.00 C ATOM 619 CG2 VAL A 42 -0.791 -7.669 1.342 1.00 10.00 C ATOM 620 H VAL A 42 -0.491 -5.039 1.746 1.00 10.00 H ATOM 621 HA VAL A 42 -3.282 -5.881 1.078 1.00 10.00 H ATOM 622 HB VAL A 42 -1.767 -7.285 3.221 1.00 10.00 H ATOM 623 HG11 VAL A 42 -3.273 -8.235 0.751 1.00 10.00 H ATOM 624 HG12 VAL A 42 -2.852 -9.202 2.177 1.00 10.00 H ATOM 625 HG13 VAL A 42 -4.057 -7.901 2.331 1.00 10.00 H ATOM 626 HG21 VAL A 42 -0.629 -8.736 1.464 1.00 10.00 H ATOM 627 HG22 VAL A 42 -0.959 -7.474 0.284 1.00 10.00 H ATOM 628 HG23 VAL A 42 0.110 -7.155 1.673 1.00 10.00 H ATOM 629 N PHE A 43 -4.195 -4.411 2.863 1.00 10.00 N ATOM 630 CA PHE A 43 -4.770 -3.573 3.901 1.00 10.00 C ATOM 631 C PHE A 43 -5.406 -4.451 4.960 1.00 10.00 C ATOM 632 O PHE A 43 -6.351 -5.186 4.678 1.00 10.00 O ATOM 633 CB PHE A 43 -5.804 -2.577 3.354 1.00 10.00 C ATOM 634 CG PHE A 43 -5.216 -1.258 2.908 1.00 10.00 C ATOM 635 CD1 PHE A 43 -4.594 -0.433 3.854 1.00 10.00 C ATOM 636 CD2 PHE A 43 -5.320 -0.825 1.579 1.00 10.00 C ATOM 637 CE1 PHE A 43 -4.046 0.802 3.470 1.00 10.00 C ATOM 638 CE2 PHE A 43 -4.797 0.418 1.202 1.00 10.00 C ATOM 639 CZ PHE A 43 -4.137 1.220 2.138 1.00 10.00 C ATOM 640 H PHE A 43 -4.802 -4.659 2.086 1.00 10.00 H ATOM 641 HA PHE A 43 -3.972 -3.008 4.372 1.00 10.00 H ATOM 642 HB2 PHE A 43 -6.388 -3.024 2.555 1.00 10.00 H ATOM 643 HB3 PHE A 43 -6.503 -2.338 4.157 1.00 10.00 H ATOM 644 HD1 PHE A 43 -4.574 -0.753 4.877 1.00 10.00 H ATOM 645 HD2 PHE A 43 -5.810 -1.433 0.849 1.00 10.00 H ATOM 646 HE1 PHE A 43 -3.576 1.440 4.197 1.00 10.00 H ATOM 647 HE2 PHE A 43 -4.908 0.770 0.199 1.00 10.00 H ATOM 648 HZ PHE A 43 -3.716 2.156 1.826 1.00 10.00 H ATOM 649 N ALA A 44 -4.925 -4.326 6.193 1.00 10.00 N ATOM 650 CA ALA A 44 -5.676 -4.813 7.329 1.00 10.00 C ATOM 651 C ALA A 44 -6.821 -3.826 7.581 1.00 10.00 C ATOM 652 O ALA A 44 -6.678 -2.625 7.335 1.00 10.00 O ATOM 653 CB ALA A 44 -4.729 -4.968 8.517 1.00 10.00 C ATOM 654 H ALA A 44 -4.199 -3.636 6.367 1.00 10.00 H ATOM 655 HA ALA A 44 -6.087 -5.799 7.100 1.00 10.00 H ATOM 656 HB1 ALA A 44 -4.290 -4.005 8.776 1.00 10.00 H ATOM 657 HB2 ALA A 44 -5.269 -5.369 9.373 1.00 10.00 H ATOM 658 HB3 ALA A 44 -3.935 -5.661 8.231 1.00 10.00 H ATOM 659 N ALA A 45 -7.971 -4.331 8.036 1.00 10.00 N ATOM 660 CA ALA A 45 -9.152 -3.525 8.329 1.00 10.00 C ATOM 661 C ALA A 45 -8.922 -2.761 9.635 1.00 10.00 C ATOM 662 O ALA A 45 -9.524 -3.054 10.667 1.00 10.00 O ATOM 663 CB ALA A 45 -10.375 -4.446 8.373 1.00 10.00 C ATOM 664 H ALA A 45 -8.027 -5.322 8.213 1.00 10.00 H ATOM 665 HA ALA A 45 -9.305 -2.795 7.535 1.00 10.00 H ATOM 666 HB1 ALA A 45 -11.280 -3.861 8.525 1.00 10.00 H ATOM 667 HB2 ALA A 45 -10.461 -4.980 7.427 1.00 10.00 H ATOM 668 HB3 ALA A 45 -10.278 -5.168 9.184 1.00 10.00 H ATOM 669 N ASP A 46 -7.980 -1.816 9.600 1.00 10.00 N ATOM 670 CA ASP A 46 -7.337 -1.296 10.798 1.00 10.00 C ATOM 671 C ASP A 46 -8.165 -0.154 11.378 1.00 10.00 C ATOM 672 O ASP A 46 -7.781 1.014 11.330 1.00 10.00 O ATOM 673 CB ASP A 46 -5.888 -0.903 10.484 1.00 10.00 C ATOM 674 CG ASP A 46 -5.111 -0.564 11.751 1.00 10.00 C ATOM 675 OD1 ASP A 46 -5.277 -1.308 12.739 1.00 10.00 O ATOM 676 OD2 ASP A 46 -4.322 0.405 11.695 1.00 10.00 O ATOM 677 H ASP A 46 -7.566 -1.605 8.697 1.00 10.00 H ATOM 678 HA ASP A 46 -7.308 -2.096 11.540 1.00 10.00 H ATOM 679 HB2 ASP A 46 -5.397 -1.749 10.005 1.00 10.00 H ATOM 680 HB3 ASP A 46 -5.877 -0.048 9.809 1.00 10.00 H ATOM 681 N GLY A 47 -9.357 -0.508 11.862 1.00 10.00 N ATOM 682 CA GLY A 47 -10.368 0.429 12.325 1.00 10.00 C ATOM 683 C GLY A 47 -11.470 0.569 11.280 1.00 10.00 C ATOM 684 O GLY A 47 -12.645 0.651 11.629 1.00 10.00 O ATOM 685 H GLY A 47 -9.617 -1.486 11.761 1.00 10.00 H ATOM 686 HA2 GLY A 47 -10.797 0.050 13.252 1.00 10.00 H ATOM 687 HA3 GLY A 47 -9.938 1.413 12.520 1.00 10.00 H ATOM 688 N VAL A 48 -11.090 0.604 10.001 1.00 10.00 N ATOM 689 CA VAL A 48 -12.030 0.714 8.893 1.00 10.00 C ATOM 690 C VAL A 48 -12.701 -0.634 8.617 1.00 10.00 C ATOM 691 O VAL A 48 -12.266 -1.668 9.122 1.00 10.00 O ATOM 692 CB VAL A 48 -11.280 1.257 7.669 1.00 10.00 C ATOM 693 CG1 VAL A 48 -10.533 0.167 6.893 1.00 10.00 C ATOM 694 CG2 VAL A 48 -12.181 2.054 6.732 1.00 10.00 C ATOM 695 H VAL A 48 -10.108 0.519 9.786 1.00 10.00 H ATOM 696 HA VAL A 48 -12.800 1.435 9.173 1.00 10.00 H ATOM 697 HB VAL A 48 -10.559 1.971 8.041 1.00 10.00 H ATOM 698 HG11 VAL A 48 -9.815 0.642 6.231 1.00 10.00 H ATOM 699 HG12 VAL A 48 -9.991 -0.482 7.580 1.00 10.00 H ATOM 700 HG13 VAL A 48 -11.227 -0.423 6.291 1.00 10.00 H ATOM 701 HG21 VAL A 48 -12.644 2.879 7.270 1.00 10.00 H ATOM 702 HG22 VAL A 48 -11.571 2.453 5.927 1.00 10.00 H ATOM 703 HG23 VAL A 48 -12.949 1.412 6.319 1.00 10.00 H ATOM 704 N ASP A 49 -13.754 -0.621 7.802 1.00 10.00 N ATOM 705 CA ASP A 49 -14.614 -1.764 7.565 1.00 10.00 C ATOM 706 C ASP A 49 -13.919 -2.807 6.687 1.00 10.00 C ATOM 707 O ASP A 49 -13.059 -2.493 5.858 1.00 10.00 O ATOM 708 CB ASP A 49 -15.951 -1.326 6.939 1.00 10.00 C ATOM 709 CG ASP A 49 -16.460 0.024 7.431 1.00 10.00 C ATOM 710 OD1 ASP A 49 -15.729 1.012 7.186 1.00 10.00 O ATOM 711 OD2 ASP A 49 -17.548 0.039 8.042 1.00 10.00 O ATOM 712 H ASP A 49 -14.123 0.273 7.477 1.00 10.00 H ATOM 713 HA ASP A 49 -14.843 -2.201 8.537 1.00 10.00 H ATOM 714 HB2 ASP A 49 -15.864 -1.269 5.860 1.00 10.00 H ATOM 715 HB3 ASP A 49 -16.697 -2.080 7.169 1.00 10.00 H ATOM 716 N ALA A 50 -14.327 -4.065 6.864 1.00 10.00 N ATOM 717 CA ALA A 50 -13.745 -5.202 6.172 1.00 10.00 C ATOM 718 C ALA A 50 -13.828 -5.030 4.657 1.00 10.00 C ATOM 719 O ALA A 50 -12.811 -5.115 3.974 1.00 10.00 O ATOM 720 CB ALA A 50 -14.430 -6.494 6.628 1.00 10.00 C ATOM 721 H ALA A 50 -15.067 -4.233 7.527 1.00 10.00 H ATOM 722 HA ALA A 50 -12.690 -5.257 6.441 1.00 10.00 H ATOM 723 HB1 ALA A 50 -15.494 -6.464 6.388 1.00 10.00 H ATOM 724 HB2 ALA A 50 -13.975 -7.346 6.122 1.00 10.00 H ATOM 725 HB3 ALA A 50 -14.308 -6.615 7.705 1.00 10.00 H ATOM 726 N ASP A 51 -15.028 -4.795 4.125 1.00 10.00 N ATOM 727 CA ASP A 51 -15.278 -4.734 2.694 1.00 10.00 C ATOM 728 C ASP A 51 -14.423 -3.658 2.031 1.00 10.00 C ATOM 729 O ASP A 51 -13.789 -3.911 1.007 1.00 10.00 O ATOM 730 CB ASP A 51 -16.772 -4.491 2.450 1.00 10.00 C ATOM 731 CG ASP A 51 -17.617 -5.587 3.081 1.00 10.00 C ATOM 732 OD1 ASP A 51 -17.581 -5.654 4.331 1.00 10.00 O ATOM 733 OD2 ASP A 51 -18.251 -6.338 2.312 1.00 10.00 O ATOM 734 H ASP A 51 -15.865 -4.850 4.703 1.00 10.00 H ATOM 735 HA ASP A 51 -15.017 -5.701 2.258 1.00 10.00 H ATOM 736 HB2 ASP A 51 -17.073 -3.535 2.878 1.00 10.00 H ATOM 737 HB3 ASP A 51 -16.962 -4.470 1.377 1.00 10.00 H ATOM 738 N THR A 52 -14.394 -2.453 2.610 1.00 10.00 N ATOM 739 CA THR A 52 -13.582 -1.379 2.057 1.00 10.00 C ATOM 740 C THR A 52 -12.102 -1.758 2.101 1.00 10.00 C ATOM 741 O THR A 52 -11.428 -1.714 1.074 1.00 10.00 O ATOM 742 CB THR A 52 -13.952 0.002 2.627 1.00 10.00 C ATOM 743 OG1 THR A 52 -13.272 1.015 1.909 1.00 10.00 O ATOM 744 CG2 THR A 52 -13.682 0.168 4.116 1.00 10.00 C ATOM 745 H THR A 52 -14.913 -2.310 3.464 1.00 10.00 H ATOM 746 HA THR A 52 -13.821 -1.314 1.005 1.00 10.00 H ATOM 747 HB THR A 52 -15.025 0.140 2.478 1.00 10.00 H ATOM 748 HG1 THR A 52 -13.096 1.778 2.478 1.00 10.00 H ATOM 749 HG21 THR A 52 -14.067 1.140 4.430 1.00 10.00 H ATOM 750 HG22 THR A 52 -14.205 -0.601 4.671 1.00 10.00 H ATOM 751 HG23 THR A 52 -12.621 0.102 4.338 1.00 10.00 H ATOM 752 N ALA A 53 -11.602 -2.220 3.250 1.00 10.00 N ATOM 753 CA ALA A 53 -10.214 -2.662 3.353 1.00 10.00 C ATOM 754 C ALA A 53 -9.874 -3.710 2.286 1.00 10.00 C ATOM 755 O ALA A 53 -8.805 -3.665 1.677 1.00 10.00 O ATOM 756 CB ALA A 53 -9.946 -3.201 4.757 1.00 10.00 C ATOM 757 H ALA A 53 -12.214 -2.313 4.058 1.00 10.00 H ATOM 758 HA ALA A 53 -9.569 -1.797 3.194 1.00 10.00 H ATOM 759 HB1 ALA A 53 -10.566 -4.076 4.953 1.00 10.00 H ATOM 760 HB2 ALA A 53 -8.896 -3.478 4.852 1.00 10.00 H ATOM 761 HB3 ALA A 53 -10.181 -2.425 5.483 1.00 10.00 H ATOM 762 N ALA A 54 -10.791 -4.648 2.045 1.00 10.00 N ATOM 763 CA ALA A 54 -10.617 -5.706 1.069 1.00 10.00 C ATOM 764 C ALA A 54 -10.483 -5.106 -0.328 1.00 10.00 C ATOM 765 O ALA A 54 -9.493 -5.355 -1.011 1.00 10.00 O ATOM 766 CB ALA A 54 -11.775 -6.706 1.151 1.00 10.00 C ATOM 767 H ALA A 54 -11.667 -4.597 2.548 1.00 10.00 H ATOM 768 HA ALA A 54 -9.696 -6.243 1.305 1.00 10.00 H ATOM 769 HB1 ALA A 54 -11.837 -7.115 2.160 1.00 10.00 H ATOM 770 HB2 ALA A 54 -12.720 -6.224 0.905 1.00 10.00 H ATOM 771 HB3 ALA A 54 -11.603 -7.520 0.448 1.00 10.00 H ATOM 772 N LYS A 55 -11.459 -4.302 -0.758 1.00 10.00 N ATOM 773 CA LYS A 55 -11.460 -3.743 -2.103 1.00 10.00 C ATOM 774 C LYS A 55 -10.239 -2.847 -2.339 1.00 10.00 C ATOM 775 O LYS A 55 -9.708 -2.815 -3.446 1.00 10.00 O ATOM 776 CB LYS A 55 -12.782 -3.011 -2.373 1.00 10.00 C ATOM 777 CG LYS A 55 -12.975 -2.782 -3.880 1.00 10.00 C ATOM 778 CD LYS A 55 -14.328 -2.115 -4.177 1.00 10.00 C ATOM 779 CE LYS A 55 -15.105 -2.912 -5.237 1.00 10.00 C ATOM 780 NZ LYS A 55 -16.398 -2.281 -5.574 1.00 10.00 N ATOM 781 H LYS A 55 -12.229 -4.086 -0.133 1.00 10.00 H ATOM 782 HA LYS A 55 -11.393 -4.585 -2.794 1.00 10.00 H ATOM 783 HB2 LYS A 55 -13.603 -3.632 -2.011 1.00 10.00 H ATOM 784 HB3 LYS A 55 -12.794 -2.060 -1.839 1.00 10.00 H ATOM 785 HG2 LYS A 55 -12.171 -2.149 -4.262 1.00 10.00 H ATOM 786 HG3 LYS A 55 -12.909 -3.748 -4.384 1.00 10.00 H ATOM 787 HD2 LYS A 55 -14.914 -2.057 -3.257 1.00 10.00 H ATOM 788 HD3 LYS A 55 -14.139 -1.097 -4.527 1.00 10.00 H ATOM 789 HE2 LYS A 55 -14.501 -2.994 -6.144 1.00 10.00 H ATOM 790 HE3 LYS A 55 -15.294 -3.918 -4.854 1.00 10.00 H ATOM 791 HZ1 LYS A 55 -16.887 -2.850 -6.252 1.00 10.00 H ATOM 792 HZ2 LYS A 55 -16.972 -2.197 -4.746 1.00 10.00 H ATOM 793 HZ3 LYS A 55 -16.246 -1.363 -5.968 1.00 10.00 H ATOM 794 N LEU A 56 -9.797 -2.120 -1.310 1.00 10.00 N ATOM 795 CA LEU A 56 -8.587 -1.312 -1.375 1.00 10.00 C ATOM 796 C LEU A 56 -7.315 -2.174 -1.374 1.00 10.00 C ATOM 797 O LEU A 56 -6.253 -1.675 -1.746 1.00 10.00 O ATOM 798 CB LEU A 56 -8.557 -0.292 -0.225 1.00 10.00 C ATOM 799 CG LEU A 56 -9.326 1.009 -0.525 1.00 10.00 C ATOM 800 CD1 LEU A 56 -10.812 0.927 -0.224 1.00 10.00 C ATOM 801 CD2 LEU A 56 -8.740 2.129 0.335 1.00 10.00 C ATOM 802 H LEU A 56 -10.306 -2.153 -0.434 1.00 10.00 H ATOM 803 HA LEU A 56 -8.579 -0.748 -2.308 1.00 10.00 H ATOM 804 HB2 LEU A 56 -8.904 -0.744 0.706 1.00 10.00 H ATOM 805 HB3 LEU A 56 -7.515 -0.011 -0.080 1.00 10.00 H ATOM 806 HG LEU A 56 -9.243 1.287 -1.573 1.00 10.00 H ATOM 807 HD11 LEU A 56 -11.277 0.148 -0.825 1.00 10.00 H ATOM 808 HD12 LEU A 56 -10.941 0.729 0.835 1.00 10.00 H ATOM 809 HD13 LEU A 56 -11.264 1.888 -0.462 1.00 10.00 H ATOM 810 HD21 LEU A 56 -7.704 2.299 0.070 1.00 10.00 H ATOM 811 HD22 LEU A 56 -9.308 3.048 0.206 1.00 10.00 H ATOM 812 HD23 LEU A 56 -8.764 1.832 1.375 1.00 10.00 H ATOM 813 N SER A 57 -7.372 -3.436 -0.930 1.00 10.00 N ATOM 814 CA SER A 57 -6.191 -4.291 -0.926 1.00 10.00 C ATOM 815 C SER A 57 -5.834 -4.756 -2.336 1.00 10.00 C ATOM 816 O SER A 57 -6.669 -4.817 -3.235 1.00 10.00 O ATOM 817 CB SER A 57 -6.384 -5.518 -0.029 1.00 10.00 C ATOM 818 OG SER A 57 -6.475 -5.130 1.322 1.00 10.00 O ATOM 819 H SER A 57 -8.261 -3.843 -0.662 1.00 10.00 H ATOM 820 HA SER A 57 -5.349 -3.722 -0.527 1.00 10.00 H ATOM 821 HB2 SER A 57 -7.271 -6.078 -0.328 1.00 10.00 H ATOM 822 HB3 SER A 57 -5.522 -6.178 -0.128 1.00 10.00 H ATOM 823 HG SER A 57 -7.305 -4.645 1.442 1.00 10.00 H ATOM 824 N HIS A 58 -4.572 -5.147 -2.486 1.00 10.00 N ATOM 825 CA HIS A 58 -3.990 -5.721 -3.676 1.00 10.00 C ATOM 826 C HIS A 58 -3.195 -6.948 -3.255 1.00 10.00 C ATOM 827 O HIS A 58 -2.042 -6.818 -2.857 1.00 10.00 O ATOM 828 CB HIS A 58 -3.051 -4.699 -4.320 1.00 10.00 C ATOM 829 CG HIS A 58 -3.766 -3.478 -4.820 1.00 10.00 C ATOM 830 ND1 HIS A 58 -4.465 -3.398 -5.999 1.00 10.00 N ATOM 831 CD2 HIS A 58 -3.849 -2.263 -4.194 1.00 10.00 C ATOM 832 CE1 HIS A 58 -4.963 -2.156 -6.082 1.00 10.00 C ATOM 833 NE2 HIS A 58 -4.605 -1.421 -5.015 1.00 10.00 N ATOM 834 H HIS A 58 -3.957 -5.057 -1.693 1.00 10.00 H ATOM 835 HA HIS A 58 -4.757 -6.008 -4.397 1.00 10.00 H ATOM 836 HB2 HIS A 58 -2.290 -4.389 -3.603 1.00 10.00 H ATOM 837 HB3 HIS A 58 -2.556 -5.176 -5.165 1.00 10.00 H ATOM 838 HD1 HIS A 58 -4.585 -4.137 -6.676 1.00 10.00 H ATOM 839 HD2 HIS A 58 -3.408 -2.000 -3.244 1.00 10.00 H ATOM 840 HE1 HIS A 58 -5.558 -1.811 -6.911 1.00 10.00 H ATOM 841 N LYS A 59 -3.785 -8.138 -3.399 1.00 10.00 N ATOM 842 CA LYS A 59 -3.055 -9.398 -3.307 1.00 10.00 C ATOM 843 C LYS A 59 -2.434 -9.780 -4.661 1.00 10.00 C ATOM 844 O LYS A 59 -1.987 -10.910 -4.833 1.00 10.00 O ATOM 845 CB LYS A 59 -3.982 -10.502 -2.773 1.00 10.00 C ATOM 846 CG LYS A 59 -4.238 -10.327 -1.271 1.00 10.00 C ATOM 847 CD LYS A 59 -4.978 -11.550 -0.712 1.00 10.00 C ATOM 848 CE LYS A 59 -4.984 -11.505 0.823 1.00 10.00 C ATOM 849 NZ LYS A 59 -5.303 -12.817 1.418 1.00 10.00 N ATOM 850 H LYS A 59 -4.743 -8.169 -3.717 1.00 10.00 H ATOM 851 HA LYS A 59 -2.224 -9.296 -2.609 1.00 10.00 H ATOM 852 HB2 LYS A 59 -4.923 -10.508 -3.323 1.00 10.00 H ATOM 853 HB3 LYS A 59 -3.493 -11.467 -2.914 1.00 10.00 H ATOM 854 HG2 LYS A 59 -3.270 -10.249 -0.772 1.00 10.00 H ATOM 855 HG3 LYS A 59 -4.809 -9.415 -1.086 1.00 10.00 H ATOM 856 HD2 LYS A 59 -5.997 -11.575 -1.106 1.00 10.00 H ATOM 857 HD3 LYS A 59 -4.448 -12.446 -1.045 1.00 10.00 H ATOM 858 HE2 LYS A 59 -3.990 -11.230 1.175 1.00 10.00 H ATOM 859 HE3 LYS A 59 -5.691 -10.749 1.170 1.00 10.00 H ATOM 860 HZ1 LYS A 59 -6.232 -13.114 1.154 1.00 10.00 H ATOM 861 HZ2 LYS A 59 -4.618 -13.496 1.112 1.00 10.00 H ATOM 862 HZ3 LYS A 59 -5.240 -12.752 2.424 1.00 10.00 H ATOM 863 N GLY A 60 -2.390 -8.854 -5.624 1.00 10.00 N ATOM 864 CA GLY A 60 -1.695 -9.073 -6.880 1.00 10.00 C ATOM 865 C GLY A 60 -0.189 -9.125 -6.628 1.00 10.00 C ATOM 866 O GLY A 60 0.360 -8.236 -5.980 1.00 10.00 O ATOM 867 H GLY A 60 -2.728 -7.926 -5.439 1.00 10.00 H ATOM 868 HA2 GLY A 60 -2.046 -10.000 -7.337 1.00 10.00 H ATOM 869 HA3 GLY A 60 -1.916 -8.246 -7.555 1.00 10.00 H ATOM 870 N LEU A 61 0.478 -10.164 -7.131 1.00 10.00 N ATOM 871 CA LEU A 61 1.917 -10.332 -6.990 1.00 10.00 C ATOM 872 C LEU A 61 2.641 -9.434 -7.998 1.00 10.00 C ATOM 873 O LEU A 61 2.452 -9.576 -9.204 1.00 10.00 O ATOM 874 CB LEU A 61 2.290 -11.805 -7.212 1.00 10.00 C ATOM 875 CG LEU A 61 2.143 -12.722 -5.983 1.00 10.00 C ATOM 876 CD1 LEU A 61 3.039 -12.294 -4.812 1.00 10.00 C ATOM 877 CD2 LEU A 61 0.694 -12.839 -5.503 1.00 10.00 C ATOM 878 H LEU A 61 -0.029 -10.860 -7.656 1.00 10.00 H ATOM 879 HA LEU A 61 2.218 -10.028 -5.989 1.00 10.00 H ATOM 880 HB2 LEU A 61 1.701 -12.209 -8.037 1.00 10.00 H ATOM 881 HB3 LEU A 61 3.330 -11.840 -7.521 1.00 10.00 H ATOM 882 HG LEU A 61 2.468 -13.715 -6.297 1.00 10.00 H ATOM 883 HD11 LEU A 61 3.076 -13.096 -4.075 1.00 10.00 H ATOM 884 HD12 LEU A 61 4.049 -12.099 -5.166 1.00 10.00 H ATOM 885 HD13 LEU A 61 2.650 -11.400 -4.324 1.00 10.00 H ATOM 886 HD21 LEU A 61 0.043 -13.110 -6.334 1.00 10.00 H ATOM 887 HD22 LEU A 61 0.627 -13.609 -4.734 1.00 10.00 H ATOM 888 HD23 LEU A 61 0.366 -11.893 -5.076 1.00 10.00 H ATOM 889 N ALA A 62 3.469 -8.508 -7.507 1.00 10.00 N ATOM 890 CA ALA A 62 4.087 -7.477 -8.327 1.00 10.00 C ATOM 891 C ALA A 62 5.528 -7.842 -8.692 1.00 10.00 C ATOM 892 O ALA A 62 6.466 -7.534 -7.953 1.00 10.00 O ATOM 893 CB ALA A 62 4.073 -6.204 -7.492 1.00 10.00 C ATOM 894 H ALA A 62 3.570 -8.427 -6.503 1.00 10.00 H ATOM 895 HA ALA A 62 3.509 -7.291 -9.236 1.00 10.00 H ATOM 896 HB1 ALA A 62 3.044 -5.950 -7.241 1.00 10.00 H ATOM 897 HB2 ALA A 62 4.633 -6.398 -6.575 1.00 10.00 H ATOM 898 HB3 ALA A 62 4.532 -5.389 -8.049 1.00 10.00 H ATOM 899 N PHE A 63 5.723 -8.467 -9.856 1.00 10.00 N ATOM 900 CA PHE A 63 7.046 -8.926 -10.282 1.00 10.00 C ATOM 901 C PHE A 63 7.697 -7.893 -11.196 1.00 10.00 C ATOM 902 O PHE A 63 8.891 -7.625 -11.079 1.00 10.00 O ATOM 903 CB PHE A 63 6.963 -10.300 -10.967 1.00 10.00 C ATOM 904 CG PHE A 63 6.631 -11.493 -10.080 1.00 10.00 C ATOM 905 CD1 PHE A 63 6.182 -11.326 -8.755 1.00 10.00 C ATOM 906 CD2 PHE A 63 6.776 -12.796 -10.594 1.00 10.00 C ATOM 907 CE1 PHE A 63 5.861 -12.435 -7.967 1.00 10.00 C ATOM 908 CE2 PHE A 63 6.469 -13.913 -9.795 1.00 10.00 C ATOM 909 CZ PHE A 63 6.004 -13.734 -8.480 1.00 10.00 C ATOM 910 H PHE A 63 4.910 -8.737 -10.393 1.00 10.00 H ATOM 911 HA PHE A 63 7.711 -9.043 -9.424 1.00 10.00 H ATOM 912 HB2 PHE A 63 6.236 -10.257 -11.780 1.00 10.00 H ATOM 913 HB3 PHE A 63 7.941 -10.498 -11.409 1.00 10.00 H ATOM 914 HD1 PHE A 63 6.066 -10.361 -8.300 1.00 10.00 H ATOM 915 HD2 PHE A 63 7.125 -12.948 -11.605 1.00 10.00 H ATOM 916 HE1 PHE A 63 5.492 -12.247 -6.971 1.00 10.00 H ATOM 917 HE2 PHE A 63 6.584 -14.911 -10.194 1.00 10.00 H ATOM 918 HZ PHE A 63 5.757 -14.590 -7.869 1.00 10.00 H ATOM 919 N ALA A 64 6.923 -7.324 -12.121 1.00 10.00 N ATOM 920 CA ALA A 64 7.460 -6.429 -13.130 1.00 10.00 C ATOM 921 C ALA A 64 7.815 -5.073 -12.514 1.00 10.00 C ATOM 922 O ALA A 64 6.978 -4.426 -11.873 1.00 10.00 O ATOM 923 CB ALA A 64 6.453 -6.278 -14.271 1.00 10.00 C ATOM 924 H ALA A 64 5.937 -7.537 -12.144 1.00 10.00 H ATOM 925 HA ALA A 64 8.357 -6.885 -13.553 1.00 10.00 H ATOM 926 HB1 ALA A 64 6.847 -5.599 -15.028 1.00 10.00 H ATOM 927 HB2 ALA A 64 6.260 -7.249 -14.729 1.00 10.00 H ATOM 928 HB3 ALA A 64 5.522 -5.877 -13.881 1.00 10.00 H ATOM 929 N ALA A 65 9.058 -4.638 -12.738 1.00 10.00 N ATOM 930 CA ALA A 65 9.529 -3.297 -12.428 1.00 10.00 C ATOM 931 C ALA A 65 8.851 -2.321 -13.390 1.00 10.00 C ATOM 932 O ALA A 65 9.413 -1.950 -14.417 1.00 10.00 O ATOM 933 CB ALA A 65 11.054 -3.251 -12.555 1.00 10.00 C ATOM 934 H ALA A 65 9.683 -5.236 -13.257 1.00 10.00 H ATOM 935 HA ALA A 65 9.264 -3.040 -11.400 1.00 10.00 H ATOM 936 HB1 ALA A 65 11.503 -3.939 -11.838 1.00 10.00 H ATOM 937 HB2 ALA A 65 11.359 -3.533 -13.564 1.00 10.00 H ATOM 938 HB3 ALA A 65 11.407 -2.240 -12.347 1.00 10.00 H ATOM 939 N GLY A 66 7.609 -1.965 -13.075 1.00 10.00 N ATOM 940 CA GLY A 66 6.720 -1.258 -13.984 1.00 10.00 C ATOM 941 C GLY A 66 5.276 -1.375 -13.508 1.00 10.00 C ATOM 942 O GLY A 66 4.499 -0.430 -13.653 1.00 10.00 O ATOM 943 H GLY A 66 7.226 -2.339 -12.216 1.00 10.00 H ATOM 944 HA2 GLY A 66 7.006 -0.207 -14.026 1.00 10.00 H ATOM 945 HA3 GLY A 66 6.789 -1.688 -14.984 1.00 10.00 H ATOM 946 N GLU A 67 4.923 -2.505 -12.882 1.00 10.00 N ATOM 947 CA GLU A 67 3.571 -2.681 -12.396 1.00 10.00 C ATOM 948 C GLU A 67 3.341 -1.706 -11.247 1.00 10.00 C ATOM 949 O GLU A 67 4.223 -1.441 -10.425 1.00 10.00 O ATOM 950 CB GLU A 67 3.349 -4.129 -11.939 1.00 10.00 C ATOM 951 CG GLU A 67 2.980 -5.016 -13.133 1.00 10.00 C ATOM 952 CD GLU A 67 1.527 -4.807 -13.538 1.00 10.00 C ATOM 953 OE1 GLU A 67 0.659 -5.250 -12.757 1.00 10.00 O ATOM 954 OE2 GLU A 67 1.319 -4.182 -14.599 1.00 10.00 O ATOM 955 H GLU A 67 5.575 -3.271 -12.763 1.00 10.00 H ATOM 956 HA GLU A 67 2.872 -2.446 -13.202 1.00 10.00 H ATOM 957 HB2 GLU A 67 4.241 -4.507 -11.441 1.00 10.00 H ATOM 958 HB3 GLU A 67 2.519 -4.167 -11.229 1.00 10.00 H ATOM 959 HG2 GLU A 67 3.614 -4.785 -13.988 1.00 10.00 H ATOM 960 HG3 GLU A 67 3.102 -6.064 -12.862 1.00 10.00 H ATOM 961 N SER A 68 2.145 -1.131 -11.246 1.00 10.00 N ATOM 962 CA SER A 68 1.702 -0.162 -10.276 1.00 10.00 C ATOM 963 C SER A 68 0.225 -0.427 -10.032 1.00 10.00 C ATOM 964 O SER A 68 -0.478 -0.922 -10.912 1.00 10.00 O ATOM 965 CB SER A 68 1.980 1.262 -10.778 1.00 10.00 C ATOM 966 OG SER A 68 1.868 1.370 -12.185 1.00 10.00 O ATOM 967 H SER A 68 1.445 -1.420 -11.920 1.00 10.00 H ATOM 968 HA SER A 68 2.227 -0.331 -9.334 1.00 10.00 H ATOM 969 HB2 SER A 68 1.279 1.948 -10.304 1.00 10.00 H ATOM 970 HB3 SER A 68 2.993 1.542 -10.495 1.00 10.00 H ATOM 971 HG SER A 68 2.512 0.778 -12.596 1.00 10.00 H ATOM 972 N PHE A 69 -0.220 -0.137 -8.815 1.00 10.00 N ATOM 973 CA PHE A 69 -1.564 -0.428 -8.344 1.00 10.00 C ATOM 974 C PHE A 69 -2.231 0.887 -7.983 1.00 10.00 C ATOM 975 O PHE A 69 -1.522 1.857 -7.729 1.00 10.00 O ATOM 976 CB PHE A 69 -1.454 -1.355 -7.126 1.00 10.00 C ATOM 977 CG PHE A 69 -1.067 -2.804 -7.393 1.00 10.00 C ATOM 978 CD1 PHE A 69 -1.228 -3.416 -8.655 1.00 10.00 C ATOM 979 CD2 PHE A 69 -0.530 -3.555 -6.333 1.00 10.00 C ATOM 980 CE1 PHE A 69 -0.834 -4.751 -8.851 1.00 10.00 C ATOM 981 CE2 PHE A 69 -0.134 -4.890 -6.527 1.00 10.00 C ATOM 982 CZ PHE A 69 -0.282 -5.486 -7.790 1.00 10.00 C ATOM 983 H PHE A 69 0.406 0.361 -8.191 1.00 10.00 H ATOM 984 HA PHE A 69 -2.184 -0.873 -9.120 1.00 10.00 H ATOM 985 HB2 PHE A 69 -0.708 -0.925 -6.458 1.00 10.00 H ATOM 986 HB3 PHE A 69 -2.385 -1.337 -6.571 1.00 10.00 H ATOM 987 HD1 PHE A 69 -1.637 -2.890 -9.503 1.00 10.00 H ATOM 988 HD2 PHE A 69 -0.429 -3.091 -5.367 1.00 10.00 H ATOM 989 HE1 PHE A 69 -0.946 -5.206 -9.827 1.00 10.00 H ATOM 990 HE2 PHE A 69 0.287 -5.462 -5.711 1.00 10.00 H ATOM 991 HZ PHE A 69 0.031 -6.507 -7.949 1.00 10.00 H ATOM 992 N THR A 70 -3.565 0.909 -7.948 1.00 10.00 N ATOM 993 CA THR A 70 -4.343 2.066 -7.532 1.00 10.00 C ATOM 994 C THR A 70 -5.481 1.599 -6.638 1.00 10.00 C ATOM 995 O THR A 70 -6.109 0.582 -6.916 1.00 10.00 O ATOM 996 CB THR A 70 -4.910 2.844 -8.726 1.00 10.00 C ATOM 997 OG1 THR A 70 -3.875 3.312 -9.566 1.00 10.00 O ATOM 998 CG2 THR A 70 -5.736 4.063 -8.299 1.00 10.00 C ATOM 999 H THR A 70 -4.077 0.050 -8.091 1.00 10.00 H ATOM 1000 HA THR A 70 -3.691 2.721 -6.970 1.00 10.00 H ATOM 1001 HB THR A 70 -5.573 2.174 -9.267 1.00 10.00 H ATOM 1002 HG1 THR A 70 -4.240 4.016 -10.109 1.00 10.00 H ATOM 1003 HG21 THR A 70 -5.130 4.735 -7.691 1.00 10.00 H ATOM 1004 HG22 THR A 70 -6.082 4.596 -9.184 1.00 10.00 H ATOM 1005 HG23 THR A 70 -6.619 3.758 -7.736 1.00 10.00 H ATOM 1006 N SER A 71 -5.755 2.383 -5.600 1.00 10.00 N ATOM 1007 CA SER A 71 -6.788 2.147 -4.606 1.00 10.00 C ATOM 1008 C SER A 71 -7.607 3.425 -4.481 1.00 10.00 C ATOM 1009 O SER A 71 -7.045 4.518 -4.553 1.00 10.00 O ATOM 1010 CB SER A 71 -6.103 1.810 -3.289 1.00 10.00 C ATOM 1011 OG SER A 71 -6.991 1.550 -2.238 1.00 10.00 O ATOM 1012 H SER A 71 -5.231 3.250 -5.544 1.00 10.00 H ATOM 1013 HA SER A 71 -7.429 1.314 -4.902 1.00 10.00 H ATOM 1014 HB2 SER A 71 -5.490 0.923 -3.434 1.00 10.00 H ATOM 1015 HB3 SER A 71 -5.515 2.679 -3.004 1.00 10.00 H ATOM 1016 HG SER A 71 -6.481 1.398 -1.434 1.00 10.00 H ATOM 1017 N THR A 72 -8.920 3.274 -4.314 1.00 10.00 N ATOM 1018 CA THR A 72 -9.887 4.365 -4.261 1.00 10.00 C ATOM 1019 C THR A 72 -10.222 4.661 -2.801 1.00 10.00 C ATOM 1020 O THR A 72 -10.803 3.835 -2.101 1.00 10.00 O ATOM 1021 CB THR A 72 -11.110 4.018 -5.129 1.00 10.00 C ATOM 1022 OG1 THR A 72 -10.856 4.460 -6.444 1.00 10.00 O ATOM 1023 CG2 THR A 72 -12.414 4.675 -4.677 1.00 10.00 C ATOM 1024 H THR A 72 -9.242 2.332 -4.147 1.00 10.00 H ATOM 1025 HA THR A 72 -9.440 5.265 -4.685 1.00 10.00 H ATOM 1026 HB THR A 72 -11.268 2.938 -5.135 1.00 10.00 H ATOM 1027 HG1 THR A 72 -10.859 5.424 -6.433 1.00 10.00 H ATOM 1028 HG21 THR A 72 -13.183 4.520 -5.433 1.00 10.00 H ATOM 1029 HG22 THR A 72 -12.749 4.207 -3.752 1.00 10.00 H ATOM 1030 HG23 THR A 72 -12.276 5.746 -4.521 1.00 10.00 H ATOM 1031 N PHE A 73 -9.827 5.844 -2.339 1.00 10.00 N ATOM 1032 CA PHE A 73 -9.904 6.263 -0.950 1.00 10.00 C ATOM 1033 C PHE A 73 -11.209 7.022 -0.757 1.00 10.00 C ATOM 1034 O PHE A 73 -11.191 8.207 -0.449 1.00 10.00 O ATOM 1035 CB PHE A 73 -8.658 7.119 -0.652 1.00 10.00 C ATOM 1036 CG PHE A 73 -7.363 6.358 -0.420 1.00 10.00 C ATOM 1037 CD1 PHE A 73 -7.219 5.013 -0.793 1.00 10.00 C ATOM 1038 CD2 PHE A 73 -6.280 7.008 0.193 1.00 10.00 C ATOM 1039 CE1 PHE A 73 -6.000 4.359 -0.595 1.00 10.00 C ATOM 1040 CE2 PHE A 73 -5.047 6.363 0.354 1.00 10.00 C ATOM 1041 CZ PHE A 73 -4.897 5.038 -0.069 1.00 10.00 C ATOM 1042 H PHE A 73 -9.451 6.520 -2.995 1.00 10.00 H ATOM 1043 HA PHE A 73 -9.923 5.414 -0.266 1.00 10.00 H ATOM 1044 HB2 PHE A 73 -8.518 7.780 -1.505 1.00 10.00 H ATOM 1045 HB3 PHE A 73 -8.794 7.777 0.204 1.00 10.00 H ATOM 1046 HD1 PHE A 73 -8.023 4.450 -1.226 1.00 10.00 H ATOM 1047 HD2 PHE A 73 -6.391 8.013 0.539 1.00 10.00 H ATOM 1048 HE1 PHE A 73 -5.936 3.329 -0.853 1.00 10.00 H ATOM 1049 HE2 PHE A 73 -4.221 6.896 0.799 1.00 10.00 H ATOM 1050 HZ PHE A 73 -3.947 4.537 0.020 1.00 10.00 H ATOM 1051 N THR A 74 -12.347 6.350 -0.949 1.00 10.00 N ATOM 1052 CA THR A 74 -13.649 6.977 -0.757 1.00 10.00 C ATOM 1053 C THR A 74 -13.900 7.233 0.729 1.00 10.00 C ATOM 1054 O THR A 74 -14.060 8.378 1.144 1.00 10.00 O ATOM 1055 CB THR A 74 -14.771 6.132 -1.380 1.00 10.00 C ATOM 1056 OG1 THR A 74 -14.387 5.743 -2.680 1.00 10.00 O ATOM 1057 CG2 THR A 74 -16.071 6.936 -1.481 1.00 10.00 C ATOM 1058 H THR A 74 -12.310 5.396 -1.285 1.00 10.00 H ATOM 1059 HA THR A 74 -13.645 7.935 -1.273 1.00 10.00 H ATOM 1060 HB THR A 74 -14.951 5.235 -0.784 1.00 10.00 H ATOM 1061 HG1 THR A 74 -15.099 5.230 -3.069 1.00 10.00 H ATOM 1062 HG21 THR A 74 -15.916 7.820 -2.100 1.00 10.00 H ATOM 1063 HG22 THR A 74 -16.400 7.247 -0.489 1.00 10.00 H ATOM 1064 HG23 THR A 74 -16.852 6.321 -1.928 1.00 10.00 H ATOM 1065 N GLU A 75 -13.969 6.160 1.521 1.00 10.00 N ATOM 1066 CA GLU A 75 -14.430 6.250 2.896 1.00 10.00 C ATOM 1067 C GLU A 75 -13.367 6.955 3.745 1.00 10.00 C ATOM 1068 O GLU A 75 -12.242 6.452 3.791 1.00 10.00 O ATOM 1069 CB GLU A 75 -14.751 4.841 3.436 1.00 10.00 C ATOM 1070 CG GLU A 75 -16.150 4.783 4.062 1.00 10.00 C ATOM 1071 CD GLU A 75 -17.246 5.079 3.044 1.00 10.00 C ATOM 1072 OE1 GLU A 75 -17.180 4.482 1.947 1.00 10.00 O ATOM 1073 OE2 GLU A 75 -18.105 5.927 3.368 1.00 10.00 O ATOM 1074 H GLU A 75 -13.801 5.247 1.131 1.00 10.00 H ATOM 1075 HA GLU A 75 -15.347 6.834 2.857 1.00 10.00 H ATOM 1076 HB2 GLU A 75 -14.725 4.100 2.636 1.00 10.00 H ATOM 1077 HB3 GLU A 75 -14.028 4.550 4.199 1.00 10.00 H ATOM 1078 HG2 GLU A 75 -16.319 3.783 4.463 1.00 10.00 H ATOM 1079 HG3 GLU A 75 -16.211 5.496 4.885 1.00 10.00 H ATOM 1080 N PRO A 76 -13.686 8.083 4.407 1.00 10.00 N ATOM 1081 CA PRO A 76 -12.754 8.772 5.284 1.00 10.00 C ATOM 1082 C PRO A 76 -12.448 7.868 6.479 1.00 10.00 C ATOM 1083 O PRO A 76 -13.366 7.310 7.079 1.00 10.00 O ATOM 1084 CB PRO A 76 -13.449 10.073 5.687 1.00 10.00 C ATOM 1085 CG PRO A 76 -14.933 9.724 5.607 1.00 10.00 C ATOM 1086 CD PRO A 76 -14.994 8.724 4.451 1.00 10.00 C ATOM 1087 HA PRO A 76 -11.840 9.021 4.752 1.00 10.00 H ATOM 1088 HB2 PRO A 76 -13.148 10.426 6.675 1.00 10.00 H ATOM 1089 HB3 PRO A 76 -13.226 10.837 4.941 1.00 10.00 H ATOM 1090 HG2 PRO A 76 -15.238 9.231 6.531 1.00 10.00 H ATOM 1091 HG3 PRO A 76 -15.553 10.603 5.426 1.00 10.00 H ATOM 1092 HD2 PRO A 76 -15.800 8.014 4.642 1.00 10.00 H ATOM 1093 HD3 PRO A 76 -15.167 9.251 3.512 1.00 10.00 H ATOM 1094 N GLY A 77 -11.170 7.677 6.810 1.00 10.00 N ATOM 1095 CA GLY A 77 -10.785 6.680 7.795 1.00 10.00 C ATOM 1096 C GLY A 77 -9.319 6.292 7.655 1.00 10.00 C ATOM 1097 O GLY A 77 -8.610 6.799 6.785 1.00 10.00 O ATOM 1098 H GLY A 77 -10.435 8.201 6.345 1.00 10.00 H ATOM 1099 HA2 GLY A 77 -10.963 7.081 8.793 1.00 10.00 H ATOM 1100 HA3 GLY A 77 -11.386 5.779 7.660 1.00 10.00 H ATOM 1101 N THR A 78 -8.872 5.389 8.534 1.00 10.00 N ATOM 1102 CA THR A 78 -7.515 4.867 8.552 1.00 10.00 C ATOM 1103 C THR A 78 -7.483 3.517 7.838 1.00 10.00 C ATOM 1104 O THR A 78 -8.216 2.612 8.226 1.00 10.00 O ATOM 1105 CB THR A 78 -7.033 4.737 10.003 1.00 10.00 C ATOM 1106 OG1 THR A 78 -7.049 6.016 10.605 1.00 10.00 O ATOM 1107 CG2 THR A 78 -5.604 4.197 10.093 1.00 10.00 C ATOM 1108 H THR A 78 -9.536 4.961 9.163 1.00 10.00 H ATOM 1109 HA THR A 78 -6.861 5.575 8.052 1.00 10.00 H ATOM 1110 HB THR A 78 -7.697 4.064 10.552 1.00 10.00 H ATOM 1111 HG1 THR A 78 -7.842 6.475 10.318 1.00 10.00 H ATOM 1112 HG21 THR A 78 -5.298 4.195 11.138 1.00 10.00 H ATOM 1113 HG22 THR A 78 -5.553 3.173 9.720 1.00 10.00 H ATOM 1114 HG23 THR A 78 -4.931 4.829 9.513 1.00 10.00 H ATOM 1115 N TYR A 79 -6.621 3.371 6.831 1.00 10.00 N ATOM 1116 CA TYR A 79 -6.309 2.081 6.223 1.00 10.00 C ATOM 1117 C TYR A 79 -4.828 1.839 6.545 1.00 10.00 C ATOM 1118 O TYR A 79 -4.016 2.729 6.299 1.00 10.00 O ATOM 1119 CB TYR A 79 -6.629 2.113 4.706 1.00 10.00 C ATOM 1120 CG TYR A 79 -8.064 2.416 4.329 1.00 10.00 C ATOM 1121 CD1 TYR A 79 -8.526 3.742 4.304 1.00 10.00 C ATOM 1122 CD2 TYR A 79 -8.921 1.374 3.929 1.00 10.00 C ATOM 1123 CE1 TYR A 79 -9.831 4.027 3.872 1.00 10.00 C ATOM 1124 CE2 TYR A 79 -10.231 1.659 3.508 1.00 10.00 C ATOM 1125 CZ TYR A 79 -10.686 2.988 3.469 1.00 10.00 C ATOM 1126 OH TYR A 79 -11.954 3.271 3.051 1.00 10.00 O ATOM 1127 H TYR A 79 -6.001 4.148 6.613 1.00 10.00 H ATOM 1128 HA TYR A 79 -6.901 1.280 6.670 1.00 10.00 H ATOM 1129 HB2 TYR A 79 -5.995 2.828 4.191 1.00 10.00 H ATOM 1130 HB3 TYR A 79 -6.421 1.164 4.223 1.00 10.00 H ATOM 1131 HD1 TYR A 79 -7.872 4.546 4.604 1.00 10.00 H ATOM 1132 HD2 TYR A 79 -8.572 0.351 3.929 1.00 10.00 H ATOM 1133 HE1 TYR A 79 -10.165 5.050 3.841 1.00 10.00 H ATOM 1134 HE2 TYR A 79 -10.871 0.854 3.188 1.00 10.00 H ATOM 1135 HH TYR A 79 -12.137 4.215 3.132 1.00 10.00 H ATOM 1136 N THR A 80 -4.452 0.689 7.117 1.00 10.00 N ATOM 1137 CA THR A 80 -3.050 0.355 7.389 1.00 10.00 C ATOM 1138 C THR A 80 -2.653 -0.837 6.535 1.00 10.00 C ATOM 1139 O THR A 80 -3.268 -1.903 6.623 1.00 10.00 O ATOM 1140 CB THR A 80 -2.822 0.098 8.876 1.00 10.00 C ATOM 1141 OG1 THR A 80 -3.113 1.298 9.553 1.00 10.00 O ATOM 1142 CG2 THR A 80 -1.376 -0.293 9.198 1.00 10.00 C ATOM 1143 H THR A 80 -5.145 -0.014 7.335 1.00 10.00 H ATOM 1144 HA THR A 80 -2.401 1.188 7.125 1.00 10.00 H ATOM 1145 HB THR A 80 -3.484 -0.700 9.213 1.00 10.00 H ATOM 1146 HG1 THR A 80 -3.522 1.041 10.394 1.00 10.00 H ATOM 1147 HG21 THR A 80 -1.268 -0.408 10.277 1.00 10.00 H ATOM 1148 HG22 THR A 80 -1.118 -1.240 8.723 1.00 10.00 H ATOM 1149 HG23 THR A 80 -0.692 0.482 8.851 1.00 10.00 H ATOM 1150 N TYR A 81 -1.667 -0.616 5.668 1.00 10.00 N ATOM 1151 CA TYR A 81 -1.239 -1.579 4.671 1.00 10.00 C ATOM 1152 C TYR A 81 0.121 -2.111 5.044 1.00 10.00 C ATOM 1153 O TYR A 81 0.960 -1.391 5.576 1.00 10.00 O ATOM 1154 CB TYR A 81 -1.196 -1.004 3.249 1.00 10.00 C ATOM 1155 CG TYR A 81 -0.327 0.217 2.985 1.00 10.00 C ATOM 1156 CD1 TYR A 81 -0.630 1.475 3.543 1.00 10.00 C ATOM 1157 CD2 TYR A 81 0.763 0.103 2.105 1.00 10.00 C ATOM 1158 CE1 TYR A 81 0.145 2.603 3.224 1.00 10.00 C ATOM 1159 CE2 TYR A 81 1.527 1.234 1.786 1.00 10.00 C ATOM 1160 CZ TYR A 81 1.229 2.480 2.347 1.00 10.00 C ATOM 1161 OH TYR A 81 1.993 3.557 2.017 1.00 10.00 O ATOM 1162 H TYR A 81 -1.076 0.196 5.827 1.00 10.00 H ATOM 1163 HA TYR A 81 -1.923 -2.425 4.653 1.00 10.00 H ATOM 1164 HB2 TYR A 81 -0.834 -1.817 2.624 1.00 10.00 H ATOM 1165 HB3 TYR A 81 -2.198 -0.802 2.895 1.00 10.00 H ATOM 1166 HD1 TYR A 81 -1.452 1.597 4.224 1.00 10.00 H ATOM 1167 HD2 TYR A 81 1.010 -0.846 1.653 1.00 10.00 H ATOM 1168 HE1 TYR A 81 -0.093 3.563 3.652 1.00 10.00 H ATOM 1169 HE2 TYR A 81 2.337 1.151 1.090 1.00 10.00 H ATOM 1170 HH TYR A 81 1.749 4.376 2.455 1.00 10.00 H ATOM 1171 N TYR A 82 0.344 -3.376 4.727 1.00 10.00 N ATOM 1172 CA TYR A 82 1.646 -3.978 4.866 1.00 10.00 C ATOM 1173 C TYR A 82 1.873 -4.906 3.687 1.00 10.00 C ATOM 1174 O TYR A 82 1.015 -5.034 2.810 1.00 10.00 O ATOM 1175 CB TYR A 82 1.759 -4.644 6.246 1.00 10.00 C ATOM 1176 CG TYR A 82 0.587 -5.497 6.700 1.00 10.00 C ATOM 1177 CD1 TYR A 82 -0.036 -6.399 5.819 1.00 10.00 C ATOM 1178 CD2 TYR A 82 0.136 -5.409 8.032 1.00 10.00 C ATOM 1179 CE1 TYR A 82 -1.091 -7.203 6.265 1.00 10.00 C ATOM 1180 CE2 TYR A 82 -0.923 -6.220 8.477 1.00 10.00 C ATOM 1181 CZ TYR A 82 -1.538 -7.117 7.590 1.00 10.00 C ATOM 1182 OH TYR A 82 -2.546 -7.926 8.022 1.00 10.00 O ATOM 1183 H TYR A 82 -0.389 -3.930 4.289 1.00 10.00 H ATOM 1184 HA TYR A 82 2.423 -3.216 4.793 1.00 10.00 H ATOM 1185 HB2 TYR A 82 2.671 -5.235 6.307 1.00 10.00 H ATOM 1186 HB3 TYR A 82 1.858 -3.831 6.960 1.00 10.00 H ATOM 1187 HD1 TYR A 82 0.276 -6.512 4.796 1.00 10.00 H ATOM 1188 HD2 TYR A 82 0.608 -4.726 8.724 1.00 10.00 H ATOM 1189 HE1 TYR A 82 -1.533 -7.885 5.568 1.00 10.00 H ATOM 1190 HE2 TYR A 82 -1.263 -6.156 9.500 1.00 10.00 H ATOM 1191 HH TYR A 82 -2.974 -8.394 7.302 1.00 10.00 H ATOM 1192 N CYS A 83 3.037 -5.538 3.692 1.00 10.00 N ATOM 1193 CA CYS A 83 3.398 -6.599 2.783 1.00 10.00 C ATOM 1194 C CYS A 83 2.981 -7.917 3.437 1.00 10.00 C ATOM 1195 O CYS A 83 3.079 -8.026 4.655 1.00 10.00 O ATOM 1196 CB CYS A 83 4.913 -6.502 2.628 1.00 10.00 C ATOM 1197 SG CYS A 83 5.439 -7.353 1.141 1.00 10.00 S ATOM 1198 H CYS A 83 3.636 -5.415 4.496 1.00 10.00 H ATOM 1199 HA CYS A 83 2.905 -6.464 1.821 1.00 10.00 H ATOM 1200 HB2 CYS A 83 5.214 -5.458 2.525 1.00 10.00 H ATOM 1201 HB3 CYS A 83 5.398 -6.926 3.506 1.00 10.00 H ATOM 1202 N GLU A 84 2.536 -8.922 2.679 1.00 10.00 N ATOM 1203 CA GLU A 84 2.321 -10.252 3.250 1.00 10.00 C ATOM 1204 C GLU A 84 3.641 -10.861 3.752 1.00 10.00 C ATOM 1205 O GLU A 84 3.729 -11.175 4.938 1.00 10.00 O ATOM 1206 CB GLU A 84 1.544 -11.181 2.299 1.00 10.00 C ATOM 1207 CG GLU A 84 0.061 -11.298 2.714 1.00 10.00 C ATOM 1208 CD GLU A 84 -0.822 -11.963 1.660 1.00 10.00 C ATOM 1209 OE1 GLU A 84 -0.338 -12.091 0.515 1.00 10.00 O ATOM 1210 OE2 GLU A 84 -1.981 -12.302 1.999 1.00 10.00 O ATOM 1211 H GLU A 84 2.456 -8.792 1.675 1.00 10.00 H ATOM 1212 HA GLU A 84 1.699 -10.120 4.136 1.00 10.00 H ATOM 1213 HB2 GLU A 84 1.632 -10.811 1.282 1.00 10.00 H ATOM 1214 HB3 GLU A 84 1.970 -12.185 2.318 1.00 10.00 H ATOM 1215 HG2 GLU A 84 -0.001 -11.882 3.632 1.00 10.00 H ATOM 1216 HG3 GLU A 84 -0.345 -10.311 2.919 1.00 10.00 H ATOM 1217 N PRO A 85 4.678 -11.051 2.915 1.00 10.00 N ATOM 1218 CA PRO A 85 5.927 -11.631 3.386 1.00 10.00 C ATOM 1219 C PRO A 85 6.581 -10.763 4.465 1.00 10.00 C ATOM 1220 O PRO A 85 6.924 -11.262 5.534 1.00 10.00 O ATOM 1221 CB PRO A 85 6.814 -11.812 2.149 1.00 10.00 C ATOM 1222 CG PRO A 85 6.223 -10.847 1.122 1.00 10.00 C ATOM 1223 CD PRO A 85 4.734 -10.825 1.478 1.00 10.00 C ATOM 1224 HA PRO A 85 5.730 -12.614 3.817 1.00 10.00 H ATOM 1225 HB2 PRO A 85 7.867 -11.604 2.350 1.00 10.00 H ATOM 1226 HB3 PRO A 85 6.704 -12.832 1.778 1.00 10.00 H ATOM 1227 HG2 PRO A 85 6.662 -9.861 1.271 1.00 10.00 H ATOM 1228 HG3 PRO A 85 6.400 -11.172 0.095 1.00 10.00 H ATOM 1229 HD2 PRO A 85 4.294 -9.885 1.159 1.00 10.00 H ATOM 1230 HD3 PRO A 85 4.229 -11.648 0.971 1.00 10.00 H ATOM 1231 N HIS A 86 6.762 -9.464 4.205 1.00 10.00 N ATOM 1232 CA HIS A 86 7.523 -8.596 5.104 1.00 10.00 C ATOM 1233 C HIS A 86 6.651 -7.964 6.205 1.00 10.00 C ATOM 1234 O HIS A 86 7.120 -7.061 6.898 1.00 10.00 O ATOM 1235 CB HIS A 86 8.321 -7.564 4.287 1.00 10.00 C ATOM 1236 CG HIS A 86 9.060 -8.163 3.113 1.00 10.00 C ATOM 1237 ND1 HIS A 86 8.943 -7.761 1.779 1.00 10.00 N ATOM 1238 CD2 HIS A 86 9.947 -9.198 3.147 1.00 10.00 C ATOM 1239 CE1 HIS A 86 9.750 -8.557 1.046 1.00 10.00 C ATOM 1240 NE2 HIS A 86 10.359 -9.424 1.868 1.00 10.00 N ATOM 1241 H HIS A 86 6.468 -9.095 3.310 1.00 10.00 H ATOM 1242 HA HIS A 86 8.268 -9.201 5.623 1.00 10.00 H ATOM 1243 HB2 HIS A 86 7.663 -6.790 3.901 1.00 10.00 H ATOM 1244 HB3 HIS A 86 9.045 -7.076 4.940 1.00 10.00 H ATOM 1245 HD2 HIS A 86 10.259 -9.744 4.025 1.00 10.00 H ATOM 1246 HE1 HIS A 86 9.877 -8.500 -0.028 1.00 10.00 H ATOM 1247 HE2 HIS A 86 11.015 -10.134 1.577 1.00 10.00 H ATOM 1248 N ARG A 87 5.417 -8.461 6.395 1.00 10.00 N ATOM 1249 CA ARG A 87 4.403 -7.974 7.335 1.00 10.00 C ATOM 1250 C ARG A 87 5.006 -7.503 8.660 1.00 10.00 C ATOM 1251 O ARG A 87 4.809 -6.366 9.078 1.00 10.00 O ATOM 1252 CB ARG A 87 3.375 -9.088 7.597 1.00 10.00 C ATOM 1253 CG ARG A 87 2.066 -8.515 8.152 1.00 10.00 C ATOM 1254 CD ARG A 87 1.079 -9.631 8.504 1.00 10.00 C ATOM 1255 NE ARG A 87 1.469 -10.314 9.747 1.00 10.00 N ATOM 1256 CZ ARG A 87 0.820 -11.363 10.277 1.00 10.00 C ATOM 1257 NH1 ARG A 87 -0.207 -11.911 9.618 1.00 10.00 N ATOM 1258 NH2 ARG A 87 1.197 -11.853 11.464 1.00 10.00 N ATOM 1259 H ARG A 87 5.107 -9.188 5.764 1.00 10.00 H ATOM 1260 HA ARG A 87 3.857 -7.151 6.866 1.00 10.00 H ATOM 1261 HB2 ARG A 87 3.126 -9.574 6.658 1.00 10.00 H ATOM 1262 HB3 ARG A 87 3.783 -9.842 8.270 1.00 10.00 H ATOM 1263 HG2 ARG A 87 2.246 -7.879 9.020 1.00 10.00 H ATOM 1264 HG3 ARG A 87 1.628 -7.908 7.362 1.00 10.00 H ATOM 1265 HD2 ARG A 87 0.095 -9.181 8.644 1.00 10.00 H ATOM 1266 HD3 ARG A 87 1.038 -10.330 7.666 1.00 10.00 H ATOM 1267 HE ARG A 87 2.253 -9.915 10.243 1.00 10.00 H ATOM 1268 HH11 ARG A 87 -0.476 -11.526 8.725 1.00 10.00 H ATOM 1269 HH12 ARG A 87 -0.717 -12.702 9.981 1.00 10.00 H ATOM 1270 HH21 ARG A 87 1.960 -11.432 11.973 1.00 10.00 H ATOM 1271 HH22 ARG A 87 0.719 -12.637 11.883 1.00 10.00 H ATOM 1272 N GLY A 88 5.714 -8.412 9.337 1.00 10.00 N ATOM 1273 CA GLY A 88 6.272 -8.184 10.661 1.00 10.00 C ATOM 1274 C GLY A 88 7.767 -7.876 10.618 1.00 10.00 C ATOM 1275 O GLY A 88 8.418 -7.899 11.658 1.00 10.00 O ATOM 1276 H GLY A 88 5.867 -9.310 8.903 1.00 10.00 H ATOM 1277 HA2 GLY A 88 5.763 -7.361 11.165 1.00 10.00 H ATOM 1278 HA3 GLY A 88 6.124 -9.085 11.256 1.00 10.00 H ATOM 1279 N ALA A 89 8.320 -7.570 9.438 1.00 10.00 N ATOM 1280 CA ALA A 89 9.732 -7.228 9.290 1.00 10.00 C ATOM 1281 C ALA A 89 9.948 -5.715 9.416 1.00 10.00 C ATOM 1282 O ALA A 89 11.017 -5.216 9.073 1.00 10.00 O ATOM 1283 CB ALA A 89 10.238 -7.742 7.940 1.00 10.00 C ATOM 1284 H ALA A 89 7.734 -7.499 8.612 1.00 10.00 H ATOM 1285 HA ALA A 89 10.319 -7.720 10.068 1.00 10.00 H ATOM 1286 HB1 ALA A 89 10.002 -8.799 7.831 1.00 10.00 H ATOM 1287 HB2 ALA A 89 9.771 -7.178 7.137 1.00 10.00 H ATOM 1288 HB3 ALA A 89 11.318 -7.612 7.880 1.00 10.00 H ATOM 1289 N GLY A 90 8.930 -4.975 9.871 1.00 10.00 N ATOM 1290 CA GLY A 90 8.971 -3.524 9.964 1.00 10.00 C ATOM 1291 C GLY A 90 8.568 -2.845 8.654 1.00 10.00 C ATOM 1292 O GLY A 90 8.593 -1.619 8.580 1.00 10.00 O ATOM 1293 H GLY A 90 8.072 -5.435 10.134 1.00 10.00 H ATOM 1294 HA2 GLY A 90 8.273 -3.212 10.741 1.00 10.00 H ATOM 1295 HA3 GLY A 90 9.969 -3.191 10.251 1.00 10.00 H ATOM 1296 N MET A 91 8.169 -3.610 7.630 1.00 10.00 N ATOM 1297 CA MET A 91 7.689 -3.044 6.379 1.00 10.00 C ATOM 1298 C MET A 91 6.170 -2.855 6.500 1.00 10.00 C ATOM 1299 O MET A 91 5.409 -3.803 6.305 1.00 10.00 O ATOM 1300 CB MET A 91 8.086 -3.961 5.202 1.00 10.00 C ATOM 1301 CG MET A 91 8.288 -3.160 3.905 1.00 10.00 C ATOM 1302 SD MET A 91 7.755 -3.939 2.350 1.00 10.00 S ATOM 1303 CE MET A 91 7.847 -2.527 1.219 1.00 10.00 C ATOM 1304 H MET A 91 8.085 -4.608 7.750 1.00 10.00 H ATOM 1305 HA MET A 91 8.170 -2.078 6.219 1.00 10.00 H ATOM 1306 HB2 MET A 91 9.029 -4.458 5.433 1.00 10.00 H ATOM 1307 HB3 MET A 91 7.328 -4.729 5.051 1.00 10.00 H ATOM 1308 HG2 MET A 91 7.745 -2.224 3.982 1.00 10.00 H ATOM 1309 HG3 MET A 91 9.344 -2.910 3.820 1.00 10.00 H ATOM 1310 HE1 MET A 91 7.360 -2.795 0.282 1.00 10.00 H ATOM 1311 HE2 MET A 91 7.339 -1.666 1.650 1.00 10.00 H ATOM 1312 HE3 MET A 91 8.888 -2.273 1.027 1.00 10.00 H ATOM 1313 N VAL A 92 5.723 -1.636 6.821 1.00 10.00 N ATOM 1314 CA VAL A 92 4.311 -1.265 6.896 1.00 10.00 C ATOM 1315 C VAL A 92 4.178 0.198 6.457 1.00 10.00 C ATOM 1316 O VAL A 92 5.167 0.932 6.472 1.00 10.00 O ATOM 1317 CB VAL A 92 3.828 -1.447 8.361 1.00 10.00 C ATOM 1318 CG1 VAL A 92 2.337 -1.143 8.577 1.00 10.00 C ATOM 1319 CG2 VAL A 92 4.116 -2.847 8.930 1.00 10.00 C ATOM 1320 H VAL A 92 6.385 -0.889 6.987 1.00 10.00 H ATOM 1321 HA VAL A 92 3.745 -1.852 6.157 1.00 10.00 H ATOM 1322 HB VAL A 92 4.384 -0.741 8.981 1.00 10.00 H ATOM 1323 HG11 VAL A 92 2.069 -1.332 9.617 1.00 10.00 H ATOM 1324 HG12 VAL A 92 2.115 -0.097 8.372 1.00 10.00 H ATOM 1325 HG13 VAL A 92 1.723 -1.777 7.943 1.00 10.00 H ATOM 1326 HG21 VAL A 92 3.686 -3.616 8.292 1.00 10.00 H ATOM 1327 HG22 VAL A 92 5.189 -3.013 9.021 1.00 10.00 H ATOM 1328 HG23 VAL A 92 3.687 -2.940 9.928 1.00 10.00 H ATOM 1329 N GLY A 93 2.969 0.619 6.076 1.00 10.00 N ATOM 1330 CA GLY A 93 2.614 1.996 5.787 1.00 10.00 C ATOM 1331 C GLY A 93 1.161 2.241 6.203 1.00 10.00 C ATOM 1332 O GLY A 93 0.409 1.297 6.457 1.00 10.00 O ATOM 1333 H GLY A 93 2.192 -0.032 6.095 1.00 10.00 H ATOM 1334 HA2 GLY A 93 3.261 2.673 6.346 1.00 10.00 H ATOM 1335 HA3 GLY A 93 2.734 2.184 4.721 1.00 10.00 H ATOM 1336 N LYS A 94 0.765 3.514 6.285 1.00 10.00 N ATOM 1337 CA LYS A 94 -0.520 3.943 6.815 1.00 10.00 C ATOM 1338 C LYS A 94 -1.154 4.973 5.875 1.00 10.00 C ATOM 1339 O LYS A 94 -0.456 5.699 5.169 1.00 10.00 O ATOM 1340 CB LYS A 94 -0.288 4.487 8.234 1.00 10.00 C ATOM 1341 CG LYS A 94 -1.549 4.466 9.106 1.00 10.00 C ATOM 1342 CD LYS A 94 -1.164 4.737 10.568 1.00 10.00 C ATOM 1343 CE LYS A 94 -2.391 4.611 11.481 1.00 10.00 C ATOM 1344 NZ LYS A 94 -2.044 4.753 12.910 1.00 10.00 N ATOM 1345 H LYS A 94 1.417 4.244 6.028 1.00 10.00 H ATOM 1346 HA LYS A 94 -1.189 3.086 6.874 1.00 10.00 H ATOM 1347 HB2 LYS A 94 0.452 3.846 8.717 1.00 10.00 H ATOM 1348 HB3 LYS A 94 0.116 5.498 8.184 1.00 10.00 H ATOM 1349 HG2 LYS A 94 -2.264 5.212 8.753 1.00 10.00 H ATOM 1350 HG3 LYS A 94 -2.008 3.478 9.038 1.00 10.00 H ATOM 1351 HD2 LYS A 94 -0.412 4.003 10.868 1.00 10.00 H ATOM 1352 HD3 LYS A 94 -0.731 5.738 10.640 1.00 10.00 H ATOM 1353 HE2 LYS A 94 -3.117 5.381 11.212 1.00 10.00 H ATOM 1354 HE3 LYS A 94 -2.848 3.628 11.333 1.00 10.00 H ATOM 1355 HZ1 LYS A 94 -1.398 4.025 13.184 1.00 10.00 H ATOM 1356 HZ2 LYS A 94 -1.626 5.656 13.084 1.00 10.00 H ATOM 1357 HZ3 LYS A 94 -2.881 4.664 13.470 1.00 10.00 H ATOM 1358 N VAL A 95 -2.483 5.024 5.850 1.00 10.00 N ATOM 1359 CA VAL A 95 -3.276 5.942 5.053 1.00 10.00 C ATOM 1360 C VAL A 95 -4.269 6.592 5.989 1.00 10.00 C ATOM 1361 O VAL A 95 -4.914 5.896 6.772 1.00 10.00 O ATOM 1362 CB VAL A 95 -4.035 5.159 3.966 1.00 10.00 C ATOM 1363 CG1 VAL A 95 -5.305 5.868 3.477 1.00 10.00 C ATOM 1364 CG2 VAL A 95 -3.137 4.837 2.780 1.00 10.00 C ATOM 1365 H VAL A 95 -3.015 4.380 6.426 1.00 10.00 H ATOM 1366 HA VAL A 95 -2.671 6.744 4.622 1.00 10.00 H ATOM 1367 HB VAL A 95 -4.355 4.206 4.370 1.00 10.00 H ATOM 1368 HG11 VAL A 95 -5.066 6.864 3.105 1.00 10.00 H ATOM 1369 HG12 VAL A 95 -5.772 5.277 2.690 1.00 10.00 H ATOM 1370 HG13 VAL A 95 -6.031 5.953 4.282 1.00 10.00 H ATOM 1371 HG21 VAL A 95 -2.254 4.293 3.106 1.00 10.00 H ATOM 1372 HG22 VAL A 95 -3.711 4.212 2.104 1.00 10.00 H ATOM 1373 HG23 VAL A 95 -2.845 5.750 2.270 1.00 10.00 H ATOM 1374 N VAL A 96 -4.401 7.910 5.854 1.00 10.00 N ATOM 1375 CA VAL A 96 -5.428 8.708 6.493 1.00 10.00 C ATOM 1376 C VAL A 96 -6.251 9.376 5.383 1.00 10.00 C ATOM 1377 O VAL A 96 -5.823 10.376 4.814 1.00 10.00 O ATOM 1378 CB VAL A 96 -4.707 9.711 7.405 1.00 10.00 C ATOM 1379 CG1 VAL A 96 -5.664 10.760 7.989 1.00 10.00 C ATOM 1380 CG2 VAL A 96 -4.019 8.978 8.567 1.00 10.00 C ATOM 1381 H VAL A 96 -3.745 8.403 5.248 1.00 10.00 H ATOM 1382 HA VAL A 96 -6.093 8.093 7.103 1.00 10.00 H ATOM 1383 HB VAL A 96 -3.930 10.188 6.804 1.00 10.00 H ATOM 1384 HG11 VAL A 96 -5.118 11.421 8.662 1.00 10.00 H ATOM 1385 HG12 VAL A 96 -6.108 11.369 7.202 1.00 10.00 H ATOM 1386 HG13 VAL A 96 -6.461 10.266 8.546 1.00 10.00 H ATOM 1387 HG21 VAL A 96 -3.269 8.281 8.194 1.00 10.00 H ATOM 1388 HG22 VAL A 96 -3.521 9.701 9.214 1.00 10.00 H ATOM 1389 HG23 VAL A 96 -4.758 8.428 9.151 1.00 10.00 H ATOM 1390 N VAL A 97 -7.418 8.823 5.049 1.00 10.00 N ATOM 1391 CA VAL A 97 -8.343 9.475 4.130 1.00 10.00 C ATOM 1392 C VAL A 97 -9.101 10.562 4.893 1.00 10.00 C ATOM 1393 O VAL A 97 -9.699 10.253 5.926 1.00 10.00 O ATOM 1394 CB VAL A 97 -9.319 8.459 3.521 1.00 10.00 C ATOM 1395 CG1 VAL A 97 -10.189 9.136 2.453 1.00 10.00 C ATOM 1396 CG2 VAL A 97 -8.565 7.286 2.901 1.00 10.00 C ATOM 1397 H VAL A 97 -7.736 7.993 5.535 1.00 10.00 H ATOM 1398 HA VAL A 97 -7.777 9.921 3.311 1.00 10.00 H ATOM 1399 HB VAL A 97 -9.955 8.045 4.299 1.00 10.00 H ATOM 1400 HG11 VAL A 97 -10.745 9.973 2.873 1.00 10.00 H ATOM 1401 HG12 VAL A 97 -9.572 9.508 1.634 1.00 10.00 H ATOM 1402 HG13 VAL A 97 -10.908 8.414 2.067 1.00 10.00 H ATOM 1403 HG21 VAL A 97 -9.239 6.688 2.287 1.00 10.00 H ATOM 1404 HG22 VAL A 97 -7.751 7.670 2.295 1.00 10.00 H ATOM 1405 HG23 VAL A 97 -8.156 6.659 3.689 1.00 10.00 H ATOM 1406 N ASP A 98 -9.061 11.798 4.384 1.00 10.00 N ATOM 1407 CA ASP A 98 -9.720 12.971 4.948 1.00 10.00 C ATOM 1408 C ASP A 98 -11.028 13.222 4.184 1.00 10.00 C ATOM 1409 O ASP A 98 -12.100 13.122 4.819 1.00 10.00 O ATOM 1410 CB ASP A 98 -8.751 14.161 4.854 1.00 10.00 C ATOM 1411 CG ASP A 98 -9.264 15.406 5.564 1.00 10.00 C ATOM 1412 OD1 ASP A 98 -9.465 15.322 6.795 1.00 10.00 O ATOM 1413 OD2 ASP A 98 -9.362 16.453 4.885 1.00 10.00 O ATOM 1414 OXT ASP A 98 -10.946 13.458 2.956 1.00 10.00 O ATOM 1415 H ASP A 98 -8.576 11.949 3.505 1.00 10.00 H ATOM 1416 HA ASP A 98 -9.954 12.797 6.000 1.00 10.00 H ATOM 1417 HB2 ASP A 98 -7.806 13.885 5.318 1.00 10.00 H ATOM 1418 HB3 ASP A 98 -8.573 14.397 3.806 1.00 10.00 H TER 1419 ASP A 98 HETATM 1420 CU CU A 99 7.514 -6.406 0.995 1.00 10.00 CU CONECT 569 1420 CONECT 1197 1420 CONECT 1237 1420 CONECT 1420 569 1197 1237 MASTER 104 0 1 1 8 0 1 6 1419 1 4 8 END