USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) 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 *** 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 99 CUCU :(H bumps) USER MOD NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 99 CUCU :(H bumps) USER MOD Set 1.1: A 52 THR OG1 : rot 140:sc= 0.782 USER MOD Set 1.2: A 79 TYR OH : rot 174:sc= 0.907 USER MOD Single : A 1 ALA N :NH3+ -179:sc= 1.2 (180deg=1.14) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.0689 F(o=-0.86,f=-0.069) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 1.08 (180deg=0.774) USER MOD Single : A 7 MET CE :methyl -165:sc= -0.0088 (180deg=-0.234) USER MOD Single : A 9 SER OG : rot -70:sc= 1.69 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0606 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.624 K(o=0.62,f=-1.8) USER MOD Single : A 34 ASN : amide:sc= 0.95 K(o=0.95,f=-2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0881 USER MOD Single : A 40 ASN : amide:sc= 1.6 K(o=1.6,f=-9.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 66:sc= 1.64 USER MOD Single : A 58 HIS : no HE2:sc= -0.222 X(o=-0.22,f=-0.42) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 170:sc= -0.635 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 141:sc= 1.25 USER MOD Single : A 81 TYR OH : rot 130:sc= -0.0405 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -149:sc= 0 (180deg=-0.14) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- 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 0 H1 ALA A 1 -5.983 15.254 -8.659 1.00 10.00 H new ATOM 0 H2 ALA A 1 -6.191 13.631 -8.207 1.00 10.00 H new ATOM 0 H3 ALA A 1 -6.137 14.842 -7.019 1.00 10.00 H new ATOM 0 HA ALA A 1 -3.917 14.064 -8.813 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -2.532 15.544 -7.434 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -3.824 16.436 -8.272 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -3.979 16.066 -6.539 1.00 10.00 H new 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 -3.283 10.121 -9.553 1.00 10.00 O flip ATOM 20 ND2 ASN A 2 -1.566 9.154 -8.496 1.00 10.00 N flip ATOM 0 H ASN A 2 -3.633 11.878 -8.265 1.00 10.00 H new ATOM 0 HA ASN A 2 -4.210 10.955 -5.628 1.00 10.00 H new ATOM 0 HB2 ASN A 2 -3.207 8.820 -6.541 1.00 10.00 H new ATOM 0 HB3 ASN A 2 -4.576 9.447 -7.438 1.00 10.00 H new ATOM 0 HD21 ASN A 2 -1.145 8.778 -7.647 1.00 10.00 H new ATOM 0 HD22 ASN A 2 -1.044 9.143 -9.372 1.00 10.00 H new 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 0 H ALA A 3 -2.757 10.290 -3.931 1.00 10.00 H new ATOM 0 HA ALA A 3 -0.048 11.260 -4.010 1.00 10.00 H new ATOM 0 HB1 ALA A 3 0.170 10.003 -1.929 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -1.293 11.016 -1.924 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -1.426 9.263 -2.197 1.00 10.00 H new 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 0 H THR A 4 1.904 9.874 -4.085 1.00 10.00 H new ATOM 0 HA THR A 4 1.536 7.251 -5.456 1.00 10.00 H new ATOM 0 HB THR A 4 3.491 9.486 -5.980 1.00 10.00 H new ATOM 0 HG1 THR A 4 2.457 9.321 -8.104 1.00 10.00 H new ATOM 0 HG21 THR A 4 4.393 8.029 -7.769 1.00 10.00 H new ATOM 0 HG22 THR A 4 4.610 7.303 -6.158 1.00 10.00 H new ATOM 0 HG23 THR A 4 3.318 6.715 -7.233 1.00 10.00 H new 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 0 H VAL A 5 2.157 5.701 -3.987 1.00 10.00 H new ATOM 0 HA VAL A 5 4.441 6.238 -2.161 1.00 10.00 H new ATOM 0 HB VAL A 5 2.301 4.152 -2.380 1.00 10.00 H new ATOM 0 HG11 VAL A 5 3.133 3.260 -0.192 1.00 10.00 H new ATOM 0 HG12 VAL A 5 4.331 3.094 -1.498 1.00 10.00 H new ATOM 0 HG13 VAL A 5 4.509 4.385 -0.286 1.00 10.00 H new ATOM 0 HG21 VAL A 5 1.559 5.042 -0.135 1.00 10.00 H new ATOM 0 HG22 VAL A 5 2.823 6.291 -0.247 1.00 10.00 H new ATOM 0 HG23 VAL A 5 1.479 6.278 -1.413 1.00 10.00 H new 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 0 H LYS A 6 6.296 4.693 -2.228 1.00 10.00 H new ATOM 0 HA LYS A 6 6.210 2.841 -4.538 1.00 10.00 H new ATOM 0 HB2 LYS A 6 8.821 3.095 -4.205 1.00 10.00 H new ATOM 0 HB3 LYS A 6 7.880 4.064 -5.322 1.00 10.00 H new ATOM 0 HG2 LYS A 6 7.801 5.921 -3.668 1.00 10.00 H new ATOM 0 HG3 LYS A 6 8.701 4.951 -2.519 1.00 10.00 H new ATOM 0 HD2 LYS A 6 10.665 4.899 -3.941 1.00 10.00 H new ATOM 0 HD3 LYS A 6 9.772 5.497 -5.325 1.00 10.00 H new ATOM 0 HE2 LYS A 6 9.434 7.688 -4.179 1.00 10.00 H new ATOM 0 HE3 LYS A 6 10.284 7.093 -2.767 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 11.625 8.461 -4.337 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 12.292 6.943 -3.968 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 11.519 7.191 -5.459 1.00 10.00 H new 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 0 H MET A 7 6.476 0.691 -4.134 1.00 10.00 H new ATOM 0 HA MET A 7 6.643 -0.209 -1.410 1.00 10.00 H new ATOM 0 HB2 MET A 7 6.692 -1.664 -4.080 1.00 10.00 H new ATOM 0 HB3 MET A 7 6.594 -2.447 -2.515 1.00 10.00 H new ATOM 0 HG2 MET A 7 4.441 -1.153 -2.108 1.00 10.00 H new ATOM 0 HG3 MET A 7 4.522 -0.621 -3.776 1.00 10.00 H new ATOM 0 HE1 MET A 7 3.996 -3.874 -5.840 1.00 10.00 H new ATOM 0 HE2 MET A 7 4.570 -2.190 -5.818 1.00 10.00 H new ATOM 0 HE3 MET A 7 5.637 -3.501 -5.260 1.00 10.00 H new 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 0 H GLY A 8 8.870 0.930 -1.023 1.00 10.00 H new ATOM 0 HA2 GLY A 8 10.972 -0.124 -0.408 1.00 10.00 H new ATOM 0 HA3 GLY A 8 11.054 -0.822 -2.014 1.00 10.00 H new 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 0 H SER A 9 12.927 1.174 -0.549 1.00 10.00 H new ATOM 0 HA SER A 9 12.792 3.620 -1.949 1.00 10.00 H new ATOM 0 HB2 SER A 9 15.242 3.693 -1.475 1.00 10.00 H new ATOM 0 HB3 SER A 9 14.249 3.394 -0.063 1.00 10.00 H new ATOM 0 HG SER A 9 14.759 1.181 -0.181 1.00 10.00 H new 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 0 H ASP A 10 13.403 4.224 -4.033 1.00 10.00 H new ATOM 0 HA ASP A 10 14.209 2.294 -6.017 1.00 10.00 H new ATOM 0 HB2 ASP A 10 14.676 4.611 -7.163 1.00 10.00 H new ATOM 0 HB3 ASP A 10 13.112 3.824 -7.103 1.00 10.00 H new 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 0 H SER A 11 15.864 1.450 -4.506 1.00 10.00 H new ATOM 0 HA SER A 11 18.514 2.142 -5.277 1.00 10.00 H new ATOM 0 HB2 SER A 11 18.311 3.965 -3.721 1.00 10.00 H new ATOM 0 HB3 SER A 11 17.670 2.904 -2.483 1.00 10.00 H new ATOM 0 HG SER A 11 19.952 3.246 -2.251 1.00 10.00 H new 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 0 H GLY A 12 17.222 0.803 -2.090 1.00 10.00 H new ATOM 0 HA2 GLY A 12 16.836 -1.804 -2.881 1.00 10.00 H new ATOM 0 HA3 GLY A 12 18.567 -1.675 -2.640 1.00 10.00 H new 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 0 H ALA A 13 15.859 -0.037 -0.766 1.00 10.00 H new ATOM 0 HA ALA A 13 16.312 -1.960 1.441 1.00 10.00 H new ATOM 0 HB1 ALA A 13 16.122 -0.111 3.036 1.00 10.00 H new ATOM 0 HB2 ALA A 13 17.560 0.073 2.004 1.00 10.00 H new ATOM 0 HB3 ALA A 13 16.110 1.057 1.693 1.00 10.00 H new 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 0 H LEU A 14 14.301 -2.815 2.167 1.00 10.00 H new ATOM 0 HA LEU A 14 11.978 -1.866 0.712 1.00 10.00 H new ATOM 0 HB2 LEU A 14 10.820 -3.698 1.770 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.218 -4.175 0.827 1.00 10.00 H new ATOM 0 HG LEU A 14 12.599 -3.877 3.759 1.00 10.00 H new ATOM 0 HD11 LEU A 14 11.673 -6.236 4.059 1.00 10.00 H new ATOM 0 HD12 LEU A 14 10.406 -5.119 3.499 1.00 10.00 H new ATOM 0 HD13 LEU A 14 11.184 -6.232 2.348 1.00 10.00 H new ATOM 0 HD21 LEU A 14 13.991 -5.913 3.473 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.521 -5.984 1.758 1.00 10.00 H new ATOM 0 HD23 LEU A 14 14.487 -4.616 2.359 1.00 10.00 H new 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 0 H VAL A 15 11.551 0.243 1.431 1.00 10.00 H new ATOM 0 HA VAL A 15 10.157 0.327 4.047 1.00 10.00 H new ATOM 0 HB VAL A 15 10.763 2.669 4.140 1.00 10.00 H new ATOM 0 HG11 VAL A 15 13.122 2.293 4.951 1.00 10.00 H new ATOM 0 HG12 VAL A 15 12.023 0.995 5.475 1.00 10.00 H new ATOM 0 HG13 VAL A 15 13.134 0.724 4.112 1.00 10.00 H new ATOM 0 HG21 VAL A 15 12.734 3.539 2.915 1.00 10.00 H new ATOM 0 HG22 VAL A 15 12.767 2.050 1.941 1.00 10.00 H new ATOM 0 HG23 VAL A 15 11.375 3.154 1.833 1.00 10.00 H new 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 0 H PHE A 16 7.992 1.053 3.817 1.00 10.00 H new ATOM 0 HA PHE A 16 6.996 1.764 1.195 1.00 10.00 H new ATOM 0 HB2 PHE A 16 5.893 1.812 4.019 1.00 10.00 H new ATOM 0 HB3 PHE A 16 4.977 2.365 2.632 1.00 10.00 H new ATOM 0 HD1 PHE A 16 4.439 0.722 0.766 1.00 10.00 H new ATOM 0 HD2 PHE A 16 6.101 -0.543 4.522 1.00 10.00 H new ATOM 0 HE1 PHE A 16 3.421 -1.520 0.471 1.00 10.00 H new ATOM 0 HE2 PHE A 16 5.230 -2.836 4.126 1.00 10.00 H new ATOM 0 HZ PHE A 16 3.847 -3.315 2.122 1.00 10.00 H new 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 0 H GLU A 17 7.274 3.898 0.324 1.00 10.00 H new ATOM 0 HA GLU A 17 7.374 6.146 2.264 1.00 10.00 H new ATOM 0 HB2 GLU A 17 9.682 5.267 1.446 1.00 10.00 H new ATOM 0 HB3 GLU A 17 9.212 5.882 -0.127 1.00 10.00 H new ATOM 0 HG2 GLU A 17 8.824 8.153 0.914 1.00 10.00 H new ATOM 0 HG3 GLU A 17 9.391 7.521 2.448 1.00 10.00 H new 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 0 HA PRO A 18 6.716 8.155 2.482 1.00 10.00 H new ATOM 0 HB2 PRO A 18 3.917 9.120 2.311 1.00 10.00 H new ATOM 0 HB3 PRO A 18 5.382 10.057 2.526 1.00 10.00 H new ATOM 0 HG2 PRO A 18 3.966 10.074 0.154 1.00 10.00 H new ATOM 0 HG3 PRO A 18 5.697 10.348 0.205 1.00 10.00 H new ATOM 0 HD2 PRO A 18 4.200 7.824 -0.529 1.00 10.00 H new ATOM 0 HD3 PRO A 18 5.699 8.441 -1.196 1.00 10.00 H new 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 0 H SER A 19 6.315 7.298 4.488 1.00 10.00 H new ATOM 0 HA SER A 19 4.878 4.819 4.595 1.00 10.00 H new ATOM 0 HB2 SER A 19 5.653 5.127 7.056 1.00 10.00 H new ATOM 0 HB3 SER A 19 6.923 5.056 5.850 1.00 10.00 H new ATOM 0 HG SER A 19 7.186 6.861 7.298 1.00 10.00 H new 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 0 H THR A 20 3.903 8.178 5.145 1.00 10.00 H new ATOM 0 HA THR A 20 1.235 7.137 5.867 1.00 10.00 H new ATOM 0 HB THR A 20 2.694 9.251 7.426 1.00 10.00 H new ATOM 0 HG1 THR A 20 2.301 7.623 9.106 1.00 10.00 H new ATOM 0 HG21 THR A 20 0.658 9.315 8.807 1.00 10.00 H new ATOM 0 HG22 THR A 20 0.322 9.805 7.129 1.00 10.00 H new ATOM 0 HG23 THR A 20 -0.138 8.180 7.690 1.00 10.00 H new 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 0 H VAL A 21 -0.235 8.027 4.492 1.00 10.00 H new ATOM 0 HA VAL A 21 0.472 10.608 3.205 1.00 10.00 H new ATOM 0 HB VAL A 21 -0.572 9.878 1.239 1.00 10.00 H new ATOM 0 HG11 VAL A 21 1.022 8.085 0.502 1.00 10.00 H new ATOM 0 HG12 VAL A 21 1.830 9.357 1.449 1.00 10.00 H new ATOM 0 HG13 VAL A 21 1.444 7.792 2.206 1.00 10.00 H new ATOM 0 HG21 VAL A 21 -1.302 7.539 0.841 1.00 10.00 H new ATOM 0 HG22 VAL A 21 -1.037 7.182 2.564 1.00 10.00 H new ATOM 0 HG23 VAL A 21 -2.281 8.359 2.080 1.00 10.00 H new 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 0 H THR A 22 -1.228 12.090 2.968 1.00 10.00 H new ATOM 0 HA THR A 22 -3.851 11.418 4.208 1.00 10.00 H new ATOM 0 HB THR A 22 -2.339 14.016 4.382 1.00 10.00 H new ATOM 0 HG1 THR A 22 -2.084 13.354 6.619 1.00 10.00 H new ATOM 0 HG21 THR A 22 -4.058 14.564 6.070 1.00 10.00 H new ATOM 0 HG22 THR A 22 -4.785 14.226 4.481 1.00 10.00 H new ATOM 0 HG23 THR A 22 -4.850 12.999 5.768 1.00 10.00 H new 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 0 H ILE A 23 -5.349 11.439 2.529 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.142 13.567 0.510 1.00 10.00 H new ATOM 0 HB ILE A 23 -5.483 12.147 -1.278 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.923 9.521 -0.602 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -5.763 10.039 0.846 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.356 10.826 -1.379 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -3.109 12.454 -0.703 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.168 11.041 0.377 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -7.329 9.018 -0.758 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -7.716 10.739 -0.522 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -6.862 10.213 -1.992 1.00 10.00 H new 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 0 H LYS A 24 -7.406 13.293 -0.924 1.00 10.00 H new ATOM 0 HA LYS A 24 -9.234 13.599 1.303 1.00 10.00 H new ATOM 0 HB2 LYS A 24 -9.741 14.347 -1.600 1.00 10.00 H new ATOM 0 HB3 LYS A 24 -10.509 15.011 -0.172 1.00 10.00 H new ATOM 0 HG2 LYS A 24 -8.291 16.013 0.512 1.00 10.00 H new ATOM 0 HG3 LYS A 24 -7.587 15.410 -0.975 1.00 10.00 H new ATOM 0 HD2 LYS A 24 -9.181 16.752 -2.320 1.00 10.00 H new ATOM 0 HD3 LYS A 24 -10.005 17.282 -0.868 1.00 10.00 H new ATOM 0 HE2 LYS A 24 -7.908 18.376 -0.061 1.00 10.00 H new ATOM 0 HE3 LYS A 24 -7.057 17.819 -1.488 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 -7.764 20.097 -1.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 -8.562 19.120 -2.860 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 -9.386 19.660 -1.477 1.00 10.00 H new 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 0 H ALA A 25 -11.347 12.853 1.379 1.00 10.00 H new ATOM 0 HA ALA A 25 -11.971 10.272 0.577 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -14.243 10.957 1.282 1.00 10.00 H new ATOM 0 HB2 ALA A 25 -13.014 11.537 2.430 1.00 10.00 H new ATOM 0 HB3 ALA A 25 -13.737 12.663 1.257 1.00 10.00 H new 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 0 H GLY A 26 -12.137 9.490 -1.502 1.00 10.00 H new ATOM 0 HA2 GLY A 26 -13.701 9.331 -3.313 1.00 10.00 H new ATOM 0 HA3 GLY A 26 -13.733 11.079 -3.425 1.00 10.00 H new 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 0 H GLU A 27 -10.591 11.120 -2.869 1.00 10.00 H new ATOM 0 HA GLU A 27 -9.806 10.786 -5.647 1.00 10.00 H new ATOM 0 HB2 GLU A 27 -9.022 12.339 -3.529 1.00 10.00 H new ATOM 0 HB3 GLU A 27 -7.787 11.096 -3.526 1.00 10.00 H new ATOM 0 HG2 GLU A 27 -6.900 11.761 -5.575 1.00 10.00 H new ATOM 0 HG3 GLU A 27 -8.414 12.438 -6.143 1.00 10.00 H new 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 0 H GLU A 28 -7.528 9.608 -5.893 1.00 10.00 H new ATOM 0 HA GLU A 28 -7.688 6.943 -4.604 1.00 10.00 H new ATOM 0 HB2 GLU A 28 -7.221 5.891 -6.613 1.00 10.00 H new ATOM 0 HB3 GLU A 28 -8.538 6.997 -6.951 1.00 10.00 H new ATOM 0 HG2 GLU A 28 -5.632 7.576 -7.629 1.00 10.00 H new ATOM 0 HG3 GLU A 28 -6.766 6.835 -8.741 1.00 10.00 H new 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 0 H VAL A 29 -5.518 5.739 -4.869 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.179 7.553 -4.697 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.115 5.518 -2.681 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.006 5.837 -1.491 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -1.771 5.077 -3.082 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -1.382 6.798 -2.852 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.789 7.504 -1.153 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -3.280 8.474 -2.555 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.951 7.872 -2.450 1.00 10.00 H new 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 0 H LYS A 30 -1.445 6.699 -5.809 1.00 10.00 H new ATOM 0 HA LYS A 30 -1.723 4.006 -6.975 1.00 10.00 H new ATOM 0 HB2 LYS A 30 -1.374 6.149 -8.375 1.00 10.00 H new ATOM 0 HB3 LYS A 30 0.231 6.225 -7.674 1.00 10.00 H new ATOM 0 HG2 LYS A 30 0.297 3.645 -8.469 1.00 10.00 H new ATOM 0 HG3 LYS A 30 -0.913 4.211 -9.603 1.00 10.00 H new ATOM 0 HD2 LYS A 30 1.515 5.926 -9.416 1.00 10.00 H new ATOM 0 HD3 LYS A 30 1.805 4.309 -10.024 1.00 10.00 H new ATOM 0 HE2 LYS A 30 1.380 5.730 -11.926 1.00 10.00 H new ATOM 0 HE3 LYS A 30 -0.006 4.674 -11.744 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 -0.677 6.937 -12.157 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 -1.178 6.454 -10.608 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 0.165 7.477 -10.785 1.00 10.00 H new 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 0 H TRP A 31 -0.056 2.419 -6.637 1.00 10.00 H new ATOM 0 HA TRP A 31 2.266 3.263 -5.018 1.00 10.00 H new ATOM 0 HB2 TRP A 31 0.819 0.614 -5.308 1.00 10.00 H new ATOM 0 HB3 TRP A 31 2.445 0.730 -4.665 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.684 1.434 -2.135 1.00 10.00 H new ATOM 0 HE1 TRP A 31 1.011 1.987 -0.254 1.00 10.00 H new ATOM 0 HE3 TRP A 31 -1.552 1.776 -4.938 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 -1.848 2.351 0.003 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 -3.721 2.261 -3.874 1.00 10.00 H new ATOM 0 HH2 TRP A 31 -3.896 2.511 -1.411 1.00 10.00 H new 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 0 H VAL A 32 4.320 2.769 -5.881 1.00 10.00 H new ATOM 0 HA VAL A 32 4.470 1.622 -8.622 1.00 10.00 H new ATOM 0 HB VAL A 32 6.164 3.546 -7.020 1.00 10.00 H new ATOM 0 HG11 VAL A 32 7.585 3.760 -9.037 1.00 10.00 H new ATOM 0 HG12 VAL A 32 7.630 2.116 -8.357 1.00 10.00 H new ATOM 0 HG13 VAL A 32 6.663 2.450 -9.813 1.00 10.00 H new ATOM 0 HG21 VAL A 32 5.579 5.137 -8.876 1.00 10.00 H new ATOM 0 HG22 VAL A 32 4.560 3.876 -9.611 1.00 10.00 H new ATOM 0 HG23 VAL A 32 4.128 4.557 -8.025 1.00 10.00 H new 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 0 H ASN A 33 5.446 -0.378 -8.858 1.00 10.00 H new ATOM 0 HA ASN A 33 6.747 -1.670 -6.618 1.00 10.00 H new ATOM 0 HB2 ASN A 33 5.394 -2.745 -8.503 1.00 10.00 H new ATOM 0 HB3 ASN A 33 6.713 -2.349 -9.587 1.00 10.00 H new ATOM 0 HD21 ASN A 33 7.606 -5.761 -8.794 1.00 10.00 H new ATOM 0 HD22 ASN A 33 6.710 -4.747 -9.930 1.00 10.00 H new 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 0 H ASN A 34 9.075 -2.091 -6.389 1.00 10.00 H new ATOM 0 HA ASN A 34 10.780 -0.542 -8.236 1.00 10.00 H new ATOM 0 HB2 ASN A 34 10.405 -0.150 -5.312 1.00 10.00 H new ATOM 0 HB3 ASN A 34 12.069 -0.209 -5.858 1.00 10.00 H new ATOM 0 HD21 ASN A 34 10.905 3.374 -5.932 1.00 10.00 H new ATOM 0 HD22 ASN A 34 10.925 2.114 -4.694 1.00 10.00 H new 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 0 H LYS A 35 11.634 -2.339 -5.192 1.00 10.00 H new ATOM 0 HA LYS A 35 13.081 -4.365 -6.758 1.00 10.00 H new ATOM 0 HB2 LYS A 35 14.297 -2.126 -5.128 1.00 10.00 H new ATOM 0 HB3 LYS A 35 15.075 -3.695 -5.174 1.00 10.00 H new ATOM 0 HG2 LYS A 35 14.310 -2.250 -7.739 1.00 10.00 H new ATOM 0 HG3 LYS A 35 15.816 -1.897 -6.916 1.00 10.00 H new ATOM 0 HD2 LYS A 35 16.659 -4.116 -7.235 1.00 10.00 H new ATOM 0 HD3 LYS A 35 15.068 -4.776 -7.554 1.00 10.00 H new ATOM 0 HE2 LYS A 35 14.949 -3.515 -9.698 1.00 10.00 H new ATOM 0 HE3 LYS A 35 16.509 -2.786 -9.373 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 16.707 -4.648 -10.871 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 17.515 -4.984 -9.416 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 16.003 -5.690 -9.730 1.00 10.00 H new 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 0 H LEU A 36 14.165 -5.920 -5.063 1.00 10.00 H new ATOM 0 HA LEU A 36 13.966 -7.336 -3.367 1.00 10.00 H new ATOM 0 HB2 LEU A 36 12.599 -5.153 -1.785 1.00 10.00 H new ATOM 0 HB3 LEU A 36 13.430 -6.567 -1.167 1.00 10.00 H new ATOM 0 HG LEU A 36 14.931 -4.595 -2.888 1.00 10.00 H new ATOM 0 HD11 LEU A 36 15.554 -3.354 -0.818 1.00 10.00 H new ATOM 0 HD12 LEU A 36 13.806 -3.253 -1.136 1.00 10.00 H new ATOM 0 HD13 LEU A 36 14.420 -4.361 0.114 1.00 10.00 H new ATOM 0 HD21 LEU A 36 16.848 -5.337 -1.517 1.00 10.00 H new ATOM 0 HD22 LEU A 36 15.766 -6.395 -0.582 1.00 10.00 H new ATOM 0 HD23 LEU A 36 16.039 -6.708 -2.313 1.00 10.00 H new 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 0 H SER A 37 11.916 -7.205 -5.476 1.00 10.00 H new ATOM 0 HA SER A 37 9.287 -7.607 -4.371 1.00 10.00 H new ATOM 0 HB2 SER A 37 9.117 -8.542 -6.810 1.00 10.00 H new ATOM 0 HB3 SER A 37 9.418 -6.828 -6.600 1.00 10.00 H new ATOM 0 HG SER A 37 10.889 -7.799 -8.118 1.00 10.00 H new 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 0 HA PRO A 38 7.553 -8.970 -5.361 1.00 10.00 H new ATOM 0 HB2 PRO A 38 5.730 -10.563 -4.073 1.00 10.00 H new ATOM 0 HB3 PRO A 38 6.501 -11.132 -5.540 1.00 10.00 H new ATOM 0 HG2 PRO A 38 7.261 -11.769 -2.645 1.00 10.00 H new ATOM 0 HG3 PRO A 38 7.120 -12.879 -3.993 1.00 10.00 H new ATOM 0 HD2 PRO A 38 9.560 -11.870 -3.265 1.00 10.00 H new ATOM 0 HD3 PRO A 38 9.195 -12.209 -4.945 1.00 10.00 H new 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 0 H HIS A 39 6.286 -7.356 -4.438 1.00 10.00 H new ATOM 0 HA HIS A 39 5.831 -7.638 -1.514 1.00 10.00 H new ATOM 0 HB2 HIS A 39 5.721 -5.096 -3.136 1.00 10.00 H new ATOM 0 HB3 HIS A 39 5.491 -5.274 -1.408 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.112 -4.511 -3.946 1.00 10.00 H new ATOM 0 HE1 HIS A 39 10.334 -5.294 -0.414 1.00 10.00 H new ATOM 0 HE2 HIS A 39 10.420 -4.354 -2.788 1.00 10.00 H new 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 0 H ASN A 40 3.488 -7.283 -0.996 1.00 10.00 H new ATOM 0 HA ASN A 40 1.765 -6.444 -3.248 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -0.079 -7.609 -2.018 1.00 10.00 H new ATOM 0 HB3 ASN A 40 0.981 -8.533 -3.064 1.00 10.00 H new ATOM 0 HD21 ASN A 40 0.449 -10.792 -0.337 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -0.288 -10.173 -1.819 1.00 10.00 H new 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 0 H ILE A 41 -0.280 -5.292 -2.176 1.00 10.00 H new ATOM 0 HA ILE A 41 0.557 -3.713 0.239 1.00 10.00 H new ATOM 0 HB ILE A 41 -0.868 -3.033 -2.306 1.00 10.00 H new ATOM 0 HG12 ILE A 41 1.228 -1.277 -1.030 1.00 10.00 H new ATOM 0 HG13 ILE A 41 1.812 -2.839 -1.571 1.00 10.00 H new ATOM 0 HG21 ILE A 41 -1.325 -0.794 -1.392 1.00 10.00 H new ATOM 0 HG22 ILE A 41 -2.212 -2.074 -0.531 1.00 10.00 H new ATOM 0 HG23 ILE A 41 -0.768 -1.342 0.207 1.00 10.00 H new ATOM 0 HD11 ILE A 41 1.999 -1.158 -3.381 1.00 10.00 H new ATOM 0 HD12 ILE A 41 0.842 -2.434 -3.829 1.00 10.00 H new ATOM 0 HD13 ILE A 41 0.250 -0.849 -3.280 1.00 10.00 H new 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 0 H VAL A 42 -0.555 -4.977 1.841 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.303 -5.935 1.112 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.754 -7.205 3.220 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.813 -9.218 2.085 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -4.021 -7.954 2.415 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.368 -8.154 0.772 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -0.510 -8.681 1.634 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -1.039 -7.653 0.281 1.00 10.00 H new ATOM 0 HG23 VAL A 42 0.043 -6.992 1.530 1.00 10.00 H new 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 0 H PHE A 43 -4.796 -4.536 2.048 1.00 10.00 H new ATOM 0 HA PHE A 43 -3.961 -2.983 4.333 1.00 10.00 H new ATOM 0 HB2 PHE A 43 -6.323 -3.035 2.512 1.00 10.00 H new ATOM 0 HB3 PHE A 43 -6.552 -2.387 4.124 1.00 10.00 H new ATOM 0 HD1 PHE A 43 -4.535 -0.749 4.885 1.00 10.00 H new ATOM 0 HD2 PHE A 43 -5.804 -1.451 0.844 1.00 10.00 H new ATOM 0 HE1 PHE A 43 -3.556 1.427 4.201 1.00 10.00 H new ATOM 0 HE2 PHE A 43 -4.904 0.759 0.183 1.00 10.00 H new ATOM 0 HZ PHE A 43 -3.699 2.159 1.834 1.00 10.00 H new 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 0 H ALA A 44 -4.029 -3.896 6.423 1.00 10.00 H new ATOM 0 HA ALA A 44 -6.114 -5.795 7.154 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -5.285 -5.335 9.380 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -3.941 -5.678 8.264 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -4.284 -4.002 8.756 1.00 10.00 H new 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 0 H ALA A 45 -8.106 -5.326 8.213 1.00 10.00 H new ATOM 0 HA ALA A 45 -9.335 -2.781 7.554 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -11.266 -3.857 8.591 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -10.493 -4.940 7.409 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -10.237 -5.197 9.151 1.00 10.00 H new 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 0 H ASP A 46 -7.644 -1.392 8.735 1.00 10.00 H new ATOM 0 HA ASP A 46 -7.290 -2.066 11.568 1.00 10.00 H new ATOM 0 HB2 ASP A 46 -5.393 -1.722 9.961 1.00 10.00 H new ATOM 0 HB3 ASP A 46 -5.881 -0.045 9.812 1.00 10.00 H new 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 0 H GLY A 47 -9.648 -1.482 11.943 1.00 10.00 H new ATOM 0 HA2 GLY A 47 -10.792 0.083 13.268 1.00 10.00 H new ATOM 0 HA3 GLY A 47 -9.913 1.401 12.518 1.00 10.00 H new 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 0 H VAL A 48 -10.114 0.556 9.707 1.00 10.00 H new ATOM 0 HA VAL A 48 -12.832 1.408 9.144 1.00 10.00 H new ATOM 0 HB VAL A 48 -10.534 1.940 8.076 1.00 10.00 H new ATOM 0 HG11 VAL A 48 -10.023 0.613 6.039 1.00 10.00 H new ATOM 0 HG12 VAL A 48 -9.801 -0.308 7.546 1.00 10.00 H new ATOM 0 HG13 VAL A 48 -11.244 -0.581 6.541 1.00 10.00 H new ATOM 0 HG21 VAL A 48 -11.597 2.413 5.884 1.00 10.00 H new ATOM 0 HG22 VAL A 48 -12.988 1.415 6.372 1.00 10.00 H new ATOM 0 HG23 VAL A 48 -12.603 2.904 7.268 1.00 10.00 H new 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 0 H ASP A 49 -14.034 0.208 7.278 1.00 10.00 H new ATOM 0 HA ASP A 49 -14.825 -2.226 8.529 1.00 10.00 H new ATOM 0 HB2 ASP A 49 -15.836 -1.285 5.856 1.00 10.00 H new ATOM 0 HB3 ASP A 49 -16.704 -2.085 7.151 1.00 10.00 H new 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 0 H ALA A 50 -15.081 -4.319 7.502 1.00 10.00 H new ATOM 0 HA ALA A 50 -12.687 -5.263 6.428 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -13.989 -7.343 6.106 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -14.294 -6.618 7.702 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -15.495 -6.441 6.401 1.00 10.00 H new 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 0 H ASP A 51 -15.863 -4.640 4.690 1.00 10.00 H new ATOM 0 HA ASP A 51 -14.998 -5.685 2.242 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -17.058 -3.524 2.863 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -16.966 -4.450 1.378 1.00 10.00 H new 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 0 H THR A 52 -14.918 -2.205 3.449 1.00 10.00 H new ATOM 0 HA THR A 52 -13.813 -1.259 0.999 1.00 10.00 H new ATOM 0 HB THR A 52 -15.032 0.089 2.506 1.00 10.00 H new ATOM 0 HG1 THR A 52 -13.873 1.777 1.769 1.00 10.00 H new ATOM 0 HG21 THR A 52 -13.973 1.171 4.429 1.00 10.00 H new ATOM 0 HG22 THR A 52 -14.259 -0.568 4.675 1.00 10.00 H new ATOM 0 HG23 THR A 52 -12.620 0.021 4.312 1.00 10.00 H new 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 0 H ALA A 53 -12.136 -2.296 4.116 1.00 10.00 H new ATOM 0 HA ALA A 53 -9.566 -1.804 3.174 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -8.909 -3.530 4.829 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -10.129 -2.415 5.490 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -10.608 -4.044 4.956 1.00 10.00 H new 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 0 H ALA A 54 -11.686 -4.688 2.533 1.00 10.00 H new ATOM 0 HA ALA A 54 -9.700 -6.253 1.288 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.629 -7.494 0.412 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -11.806 -7.145 2.148 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -12.715 -6.191 0.952 1.00 10.00 H new 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 0 H LYS A 55 -12.259 -4.026 -0.189 1.00 10.00 H new ATOM 0 HA LYS A 55 -11.383 -4.561 -2.819 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -13.614 -3.594 -1.979 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -12.788 -2.054 -1.851 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -12.168 -2.156 -4.261 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -12.914 -3.735 -4.405 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -14.916 -2.049 -3.261 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -14.167 -1.095 -4.527 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -14.500 -3.000 -6.139 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -15.281 -3.924 -4.872 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -16.887 -2.853 -6.292 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -16.988 -2.220 -4.720 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -16.231 -1.325 -5.948 1.00 10.00 H new 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 0 H LEU A 56 -10.272 -2.078 -0.409 1.00 10.00 H new ATOM 0 HA LEU A 56 -8.607 -0.772 -2.322 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -8.978 -0.754 0.668 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -7.520 -0.045 0.002 1.00 10.00 H new ATOM 0 HG LEU A 56 -9.218 1.194 -1.594 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -11.284 1.880 -0.461 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -11.263 0.139 -0.828 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -10.957 0.702 0.833 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -9.273 3.058 0.135 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -8.844 1.871 1.389 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -7.685 2.258 0.095 1.00 10.00 H new 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 0 H SER A 57 -8.218 -3.880 -0.573 1.00 10.00 H new ATOM 0 HA SER A 57 -5.374 -3.687 -0.530 1.00 10.00 H new ATOM 0 HB2 SER A 57 -7.288 -6.052 -0.322 1.00 10.00 H new ATOM 0 HB3 SER A 57 -5.550 -6.207 -0.161 1.00 10.00 H new ATOM 0 HG SER A 57 -7.294 -4.610 1.459 1.00 10.00 H new 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 0 H HIS A 58 -3.894 -5.063 -1.728 1.00 10.00 H new ATOM 0 HA HIS A 58 -4.764 -5.994 -4.394 1.00 10.00 H new ATOM 0 HB2 HIS A 58 -2.296 -4.399 -3.593 1.00 10.00 H new ATOM 0 HB3 HIS A 58 -2.525 -5.170 -5.150 1.00 10.00 H new ATOM 0 HD1 HIS A 58 -4.583 -4.144 -6.684 1.00 10.00 H new ATOM 0 HD2 HIS A 58 -3.411 -2.003 -3.242 1.00 10.00 H new ATOM 0 HE1 HIS A 58 -5.571 -1.794 -6.898 1.00 10.00 H new 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 0 H LYS A 59 -4.782 -8.251 -3.582 1.00 10.00 H new ATOM 0 HA LYS A 59 -2.231 -9.277 -2.604 1.00 10.00 H new ATOM 0 HB2 LYS A 59 -4.929 -10.479 -3.312 1.00 10.00 H new ATOM 0 HB3 LYS A 59 -3.534 -11.478 -2.958 1.00 10.00 H new ATOM 0 HG2 LYS A 59 -3.292 -10.195 -0.747 1.00 10.00 H new ATOM 0 HG3 LYS A 59 -4.827 -9.426 -1.098 1.00 10.00 H new ATOM 0 HD2 LYS A 59 -6.001 -11.569 -1.087 1.00 10.00 H new ATOM 0 HD3 LYS A 59 -4.496 -12.465 -1.055 1.00 10.00 H new ATOM 0 HE2 LYS A 59 -4.008 -11.174 1.179 1.00 10.00 H new ATOM 0 HE3 LYS A 59 -5.713 -10.768 1.160 1.00 10.00 H new ATOM 0 HZ1 LYS A 59 -5.296 -12.739 2.455 1.00 10.00 H new ATOM 0 HZ2 LYS A 59 -6.245 -13.122 1.100 1.00 10.00 H new ATOM 0 HZ3 LYS A 59 -4.593 -13.516 1.118 1.00 10.00 H new 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 0 H GLY A 60 -2.835 -7.939 -5.548 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -2.030 -10.005 -7.336 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -1.929 -8.273 -7.582 1.00 10.00 H new 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 0 H LEU A 61 0.027 -10.917 -7.651 1.00 10.00 H new ATOM 0 HA LEU A 61 2.222 -10.044 -5.984 1.00 10.00 H new ATOM 0 HB2 LEU A 61 1.669 -12.201 -8.015 1.00 10.00 H new ATOM 0 HB3 LEU A 61 3.323 -11.852 -7.556 1.00 10.00 H new ATOM 0 HG LEU A 61 2.472 -13.703 -6.325 1.00 10.00 H new ATOM 0 HD11 LEU A 61 2.893 -12.976 -3.974 1.00 10.00 H new ATOM 0 HD12 LEU A 61 4.083 -12.320 -5.124 1.00 10.00 H new ATOM 0 HD13 LEU A 61 2.778 -11.281 -4.505 1.00 10.00 H new ATOM 0 HD21 LEU A 61 0.650 -13.497 -4.635 1.00 10.00 H new ATOM 0 HD22 LEU A 61 0.321 -11.852 -5.229 1.00 10.00 H new ATOM 0 HD23 LEU A 61 0.078 -13.251 -6.302 1.00 10.00 H new 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 0 H ALA A 62 3.728 -8.457 -6.522 1.00 10.00 H new ATOM 0 HA ALA A 62 3.543 -7.358 -9.264 1.00 10.00 H new ATOM 0 HB1 ALA A 62 4.527 -5.392 -8.060 1.00 10.00 H new ATOM 0 HB2 ALA A 62 3.044 -5.943 -7.244 1.00 10.00 H new ATOM 0 HB3 ALA A 62 4.638 -6.365 -6.574 1.00 10.00 H new 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 0 H PHE A 63 4.977 -8.667 -10.522 1.00 10.00 H new ATOM 0 HA PHE A 63 7.670 -9.040 -9.396 1.00 10.00 H new ATOM 0 HB2 PHE A 63 6.211 -10.242 -11.753 1.00 10.00 H new ATOM 0 HB3 PHE A 63 7.919 -10.495 -11.454 1.00 10.00 H new ATOM 0 HD1 PHE A 63 6.085 -10.332 -8.344 1.00 10.00 H new ATOM 0 HD2 PHE A 63 7.124 -12.939 -11.606 1.00 10.00 H new ATOM 0 HE1 PHE A 63 5.501 -12.292 -6.959 1.00 10.00 H new ATOM 0 HE2 PHE A 63 6.591 -14.910 -10.193 1.00 10.00 H new ATOM 0 HZ PHE A 63 5.759 -14.590 -7.869 1.00 10.00 H new 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 0 H ALA A 64 5.916 -7.473 -12.187 1.00 10.00 H new ATOM 0 HA ALA A 64 8.379 -6.853 -13.535 1.00 10.00 H new ATOM 0 HB1 ALA A 64 6.858 -5.606 -15.027 1.00 10.00 H new ATOM 0 HB2 ALA A 64 6.261 -7.253 -14.718 1.00 10.00 H new ATOM 0 HB3 ALA A 64 5.521 -5.867 -13.882 1.00 10.00 H new 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 0 H ALA A 65 9.779 -5.229 -13.151 1.00 10.00 H new ATOM 0 HA ALA A 65 9.276 -3.017 -11.405 1.00 10.00 H new ATOM 0 HB1 ALA A 65 11.408 -2.247 -12.323 1.00 10.00 H new ATOM 0 HB2 ALA A 65 11.499 -3.962 -11.859 1.00 10.00 H new ATOM 0 HB3 ALA A 65 11.342 -3.511 -13.573 1.00 10.00 H new 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 0 H GLY A 66 7.188 -2.164 -12.167 1.00 10.00 H new ATOM 0 HA2 GLY A 66 7.007 -0.208 -14.042 1.00 10.00 H new ATOM 0 HA3 GLY A 66 6.814 -1.670 -14.989 1.00 10.00 H new 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 0 H GLU A 67 5.550 -3.291 -12.708 1.00 10.00 H new ATOM 0 HA GLU A 67 2.858 -2.477 -13.195 1.00 10.00 H new ATOM 0 HB2 GLU A 67 4.252 -4.509 -11.461 1.00 10.00 H new ATOM 0 HB3 GLU A 67 2.555 -4.164 -11.193 1.00 10.00 H new ATOM 0 HG2 GLU A 67 3.633 -4.788 -13.976 1.00 10.00 H new ATOM 0 HG3 GLU A 67 3.143 -6.063 -12.877 1.00 10.00 H new 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 0 H SER A 68 1.438 -1.341 -11.950 1.00 10.00 H new ATOM 0 HA SER A 68 2.244 -0.252 -9.334 1.00 10.00 H new ATOM 0 HB2 SER A 68 1.281 1.953 -10.307 1.00 10.00 H new ATOM 0 HB3 SER A 68 2.982 1.563 -10.472 1.00 10.00 H new ATOM 0 HG SER A 68 2.052 2.293 -12.458 1.00 10.00 H new 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 0 H PHE A 69 0.361 0.319 -8.112 1.00 10.00 H new ATOM 0 HA PHE A 69 -2.164 -0.926 -9.106 1.00 10.00 H new ATOM 0 HB2 PHE A 69 -0.721 -0.929 -6.441 1.00 10.00 H new ATOM 0 HB3 PHE A 69 -2.413 -1.350 -6.609 1.00 10.00 H new ATOM 0 HD1 PHE A 69 -1.656 -2.856 -9.473 1.00 10.00 H new ATOM 0 HD2 PHE A 69 -0.420 -3.102 -5.359 1.00 10.00 H new ATOM 0 HE1 PHE A 69 -0.956 -5.212 -9.820 1.00 10.00 H new ATOM 0 HE2 PHE A 69 0.283 -5.456 -5.707 1.00 10.00 H new ATOM 0 HZ PHE A 69 0.029 -6.509 -7.945 1.00 10.00 H new 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 0 H THR A 70 -4.139 0.109 -8.213 1.00 10.00 H new ATOM 0 HA THR A 70 -3.681 2.742 -6.991 1.00 10.00 H new ATOM 0 HB THR A 70 -5.552 2.138 -9.253 1.00 10.00 H new ATOM 0 HG1 THR A 70 -4.263 3.803 -10.320 1.00 10.00 H new ATOM 0 HG21 THR A 70 -6.112 4.576 -9.184 1.00 10.00 H new ATOM 0 HG22 THR A 70 -6.575 3.737 -7.684 1.00 10.00 H new ATOM 0 HG23 THR A 70 -5.109 4.744 -7.724 1.00 10.00 H new 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 0 H SER A 71 -5.235 3.242 -5.424 1.00 10.00 H new ATOM 0 HA SER A 71 -7.446 1.323 -4.884 1.00 10.00 H new ATOM 0 HB2 SER A 71 -5.464 0.939 -3.436 1.00 10.00 H new ATOM 0 HB3 SER A 71 -5.453 2.638 -3.006 1.00 10.00 H new ATOM 0 HG SER A 71 -6.496 1.187 -1.474 1.00 10.00 H new 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 0 H THR A 72 -9.353 2.356 -4.208 1.00 10.00 H new ATOM 0 HA THR A 72 -9.474 5.282 -4.680 1.00 10.00 H new ATOM 0 HB THR A 72 -11.245 2.939 -5.048 1.00 10.00 H new ATOM 0 HG1 THR A 72 -11.624 4.247 -7.015 1.00 10.00 H new ATOM 0 HG21 THR A 72 -13.222 4.376 -5.344 1.00 10.00 H new ATOM 0 HG22 THR A 72 -12.647 4.359 -3.660 1.00 10.00 H new ATOM 0 HG23 THR A 72 -12.304 5.759 -4.704 1.00 10.00 H new 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 0 H PHE A 73 -9.431 6.561 -2.947 1.00 10.00 H new ATOM 0 HA PHE A 73 -9.909 5.424 -0.254 1.00 10.00 H new ATOM 0 HB2 PHE A 73 -8.507 7.807 -1.484 1.00 10.00 H new ATOM 0 HB3 PHE A 73 -8.862 7.726 0.230 1.00 10.00 H new ATOM 0 HD1 PHE A 73 -8.051 4.483 -1.233 1.00 10.00 H new ATOM 0 HD2 PHE A 73 -6.399 8.022 0.546 1.00 10.00 H new ATOM 0 HE1 PHE A 73 -5.909 3.314 -0.852 1.00 10.00 H new ATOM 0 HE2 PHE A 73 -4.216 6.886 0.803 1.00 10.00 H new ATOM 0 HZ PHE A 73 -3.939 4.545 0.010 1.00 10.00 H new 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 0 H THR A 74 -12.389 5.372 -1.237 1.00 10.00 H new ATOM 0 HA THR A 74 -13.647 7.938 -1.271 1.00 10.00 H new ATOM 0 HB THR A 74 -14.939 5.262 -0.746 1.00 10.00 H new ATOM 0 HG1 THR A 74 -15.098 5.202 -3.083 1.00 10.00 H new ATOM 0 HG21 THR A 74 -16.849 6.315 -1.925 1.00 10.00 H new ATOM 0 HG22 THR A 74 -16.382 7.251 -0.485 1.00 10.00 H new ATOM 0 HG23 THR A 74 -15.908 7.815 -2.105 1.00 10.00 H new 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 0 H GLU A 75 -13.709 5.219 1.226 1.00 10.00 H new ATOM 0 HA GLU A 75 -15.347 6.838 2.944 1.00 10.00 H new ATOM 0 HB2 GLU A 75 -14.684 4.116 2.625 1.00 10.00 H new ATOM 0 HB3 GLU A 75 -14.007 4.557 4.180 1.00 10.00 H new ATOM 0 HG2 GLU A 75 -16.313 3.795 4.493 1.00 10.00 H new ATOM 0 HG3 GLU A 75 -16.211 5.502 4.879 1.00 10.00 H new 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 0 HA PRO A 76 -11.798 9.001 4.813 1.00 10.00 H new ATOM 0 HB2 PRO A 76 -13.164 10.386 6.691 1.00 10.00 H new ATOM 0 HB3 PRO A 76 -13.192 10.891 5.013 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -15.295 9.287 6.538 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -15.544 10.605 5.410 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -15.783 7.990 4.611 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -15.214 9.228 3.510 1.00 10.00 H new 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 0 H GLY A 77 -10.391 8.200 6.409 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -10.965 7.069 8.797 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -11.409 5.794 7.680 1.00 10.00 H new 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 0 H THR A 78 -9.463 4.996 9.267 1.00 10.00 H new ATOM 0 HA THR A 78 -6.845 5.550 8.030 1.00 10.00 H new ATOM 0 HB THR A 78 -7.700 4.039 10.509 1.00 10.00 H new ATOM 0 HG1 THR A 78 -6.744 5.944 11.534 1.00 10.00 H new ATOM 0 HG21 THR A 78 -5.308 4.123 11.139 1.00 10.00 H new ATOM 0 HG22 THR A 78 -5.558 3.210 9.632 1.00 10.00 H new ATOM 0 HG23 THR A 78 -4.926 4.873 9.571 1.00 10.00 H new 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 0 H TYR A 79 -6.117 4.152 6.412 1.00 10.00 H new ATOM 0 HA TYR A 79 -6.909 1.258 6.611 1.00 10.00 H new ATOM 0 HB2 TYR A 79 -5.987 2.859 4.237 1.00 10.00 H new ATOM 0 HB3 TYR A 79 -6.360 1.147 4.279 1.00 10.00 H new ATOM 0 HD1 TYR A 79 -7.875 4.545 4.618 1.00 10.00 H new ATOM 0 HD2 TYR A 79 -8.571 0.352 3.946 1.00 10.00 H new ATOM 0 HE1 TYR A 79 -10.179 5.049 3.849 1.00 10.00 H new ATOM 0 HE2 TYR A 79 -10.889 0.855 3.214 1.00 10.00 H new ATOM 0 HH TYR A 79 -12.376 2.454 2.712 1.00 10.00 H new 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 0 H THR A 80 -5.111 -0.035 7.404 1.00 10.00 H new ATOM 0 HA THR A 80 -2.415 1.200 7.125 1.00 10.00 H new ATOM 0 HB THR A 80 -3.459 -0.731 9.183 1.00 10.00 H new ATOM 0 HG1 THR A 80 -3.579 1.096 10.391 1.00 10.00 H new ATOM 0 HG21 THR A 80 -1.275 -0.463 10.270 1.00 10.00 H new ATOM 0 HG22 THR A 80 -1.117 -1.205 8.660 1.00 10.00 H new ATOM 0 HG23 THR A 80 -0.705 0.510 8.893 1.00 10.00 H new 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 0 H TYR A 81 -1.137 0.255 5.643 1.00 10.00 H new ATOM 0 HA TYR A 81 -1.980 -2.378 4.662 1.00 10.00 H new ATOM 0 HB2 TYR A 81 -0.864 -1.798 2.580 1.00 10.00 H new ATOM 0 HB3 TYR A 81 -2.217 -0.752 2.962 1.00 10.00 H new ATOM 0 HD1 TYR A 81 -1.465 1.573 4.221 1.00 10.00 H new ATOM 0 HD2 TYR A 81 1.012 -0.856 1.675 1.00 10.00 H new ATOM 0 HE1 TYR A 81 -0.095 3.564 3.655 1.00 10.00 H new ATOM 0 HE2 TYR A 81 2.355 1.142 1.099 1.00 10.00 H new ATOM 0 HH TYR A 81 2.940 3.336 2.138 1.00 10.00 H new 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 0 H TYR A 82 -0.373 -4.006 4.368 1.00 10.00 H new ATOM 0 HA TYR A 82 2.447 -3.239 4.837 1.00 10.00 H new ATOM 0 HB2 TYR A 82 2.653 -5.268 6.248 1.00 10.00 H new ATOM 0 HB3 TYR A 82 1.915 -3.861 6.988 1.00 10.00 H new ATOM 0 HD1 TYR A 82 0.301 -6.471 4.795 1.00 10.00 H new ATOM 0 HD2 TYR A 82 0.606 -4.716 8.714 1.00 10.00 H new ATOM 0 HE1 TYR A 82 -1.564 -7.894 5.583 1.00 10.00 H new ATOM 0 HE2 TYR A 82 -1.263 -6.153 9.500 1.00 10.00 H new ATOM 0 HH TYR A 82 -2.734 -7.739 8.966 1.00 10.00 H new 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 0 H CYS A 83 3.778 -5.313 4.356 1.00 10.00 H new ATOM 0 HA CYS A 83 2.918 -6.535 1.807 1.00 10.00 H new ATOM 0 HB2 CYS A 83 5.215 -5.456 2.583 1.00 10.00 H new ATOM 0 HB3 CYS A 83 5.404 -6.938 3.498 1.00 10.00 H new 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 0 H GLU A 84 2.321 -8.843 1.685 1.00 10.00 H new ATOM 0 HA GLU A 84 1.679 -10.136 4.123 1.00 10.00 H new ATOM 0 HB2 GLU A 84 1.609 -10.799 1.280 1.00 10.00 H new ATOM 0 HB3 GLU A 84 2.003 -12.170 2.298 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -0.004 -11.868 3.641 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -0.328 -10.302 2.924 1.00 10.00 H new 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 0 HA PRO A 85 5.759 -12.593 3.870 1.00 10.00 H new ATOM 0 HB2 PRO A 85 7.855 -11.574 2.367 1.00 10.00 H new ATOM 0 HB3 PRO A 85 6.791 -12.841 1.789 1.00 10.00 H new ATOM 0 HG2 PRO A 85 6.670 -9.856 1.198 1.00 10.00 H new ATOM 0 HG3 PRO A 85 6.388 -11.194 0.102 1.00 10.00 H new ATOM 0 HD2 PRO A 85 4.280 -9.870 1.212 1.00 10.00 H new ATOM 0 HD3 PRO A 85 4.189 -11.598 0.937 1.00 10.00 H new 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 0 H HIS A 86 6.392 -8.993 3.380 1.00 10.00 H new ATOM 0 HA HIS A 86 8.240 -9.212 5.647 1.00 10.00 H new ATOM 0 HB2 HIS A 86 7.639 -6.796 3.923 1.00 10.00 H new ATOM 0 HB3 HIS A 86 9.038 -7.069 4.943 1.00 10.00 H new ATOM 0 HD2 HIS A 86 10.265 -9.739 4.026 1.00 10.00 H new ATOM 0 HE1 HIS A 86 9.883 -8.504 -0.024 1.00 10.00 H new ATOM 0 HE2 HIS A 86 11.026 -10.140 1.581 1.00 10.00 H new 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 0 H ARG A 87 5.084 -9.264 5.861 1.00 10.00 H new ATOM 0 HA ARG A 87 3.921 -7.109 6.879 1.00 10.00 H new ATOM 0 HB2 ARG A 87 3.175 -9.627 6.671 1.00 10.00 H new ATOM 0 HB3 ARG A 87 3.788 -9.809 8.303 1.00 10.00 H new ATOM 0 HG2 ARG A 87 2.275 -7.917 9.039 1.00 10.00 H new ATOM 0 HG3 ARG A 87 1.617 -7.848 7.416 1.00 10.00 H new ATOM 0 HD2 ARG A 87 0.078 -9.213 8.614 1.00 10.00 H new ATOM 0 HD3 ARG A 87 1.035 -10.352 7.688 1.00 10.00 H new ATOM 0 HE ARG A 87 2.291 -9.966 10.241 1.00 10.00 H new ATOM 0 HH11 ARG A 87 -0.495 -11.532 8.716 1.00 10.00 H new ATOM 0 HH12 ARG A 87 -0.702 -12.708 10.018 1.00 10.00 H new ATOM 0 HH21 ARG A 87 1.977 -11.429 11.966 1.00 10.00 H new ATOM 0 HH22 ARG A 87 0.704 -12.650 11.867 1.00 10.00 H new 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 0 H GLY A 88 5.916 -9.341 8.968 1.00 10.00 H new ATOM 0 HA2 GLY A 88 5.747 -7.355 11.136 1.00 10.00 H new ATOM 0 HA3 GLY A 88 6.103 -9.065 11.280 1.00 10.00 H new 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 0 H ALA A 89 7.798 -7.554 8.562 1.00 10.00 H new ATOM 0 HA ALA A 89 10.299 -7.705 10.089 1.00 10.00 H new ATOM 0 HB1 ALA A 89 11.292 -7.488 7.826 1.00 10.00 H new ATOM 0 HB2 ALA A 89 10.118 -8.824 7.895 1.00 10.00 H new ATOM 0 HB3 ALA A 89 9.665 -7.280 7.137 1.00 10.00 H new 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 0 H GLY A 90 8.048 -5.378 10.187 1.00 10.00 H new ATOM 0 HA2 GLY A 90 8.304 -3.195 10.761 1.00 10.00 H new ATOM 0 HA3 GLY A 90 9.977 -3.208 10.239 1.00 10.00 H new 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 0 H MET A 91 8.172 -4.630 7.652 1.00 10.00 H new ATOM 0 HA MET A 91 8.143 -2.073 6.180 1.00 10.00 H new ATOM 0 HB2 MET A 91 9.005 -4.494 5.448 1.00 10.00 H new ATOM 0 HB3 MET A 91 7.312 -4.714 5.049 1.00 10.00 H new ATOM 0 HG2 MET A 91 7.757 -2.214 4.007 1.00 10.00 H new ATOM 0 HG3 MET A 91 9.348 -2.923 3.817 1.00 10.00 H new ATOM 0 HE1 MET A 91 7.092 -2.635 0.441 1.00 10.00 H new ATOM 0 HE2 MET A 91 7.669 -1.605 1.773 1.00 10.00 H new ATOM 0 HE3 MET A 91 8.836 -2.491 0.762 1.00 10.00 H new 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 0 H VAL A 92 6.351 -0.863 7.041 1.00 10.00 H new ATOM 0 HA VAL A 92 3.701 -1.891 6.246 1.00 10.00 H new ATOM 0 HB VAL A 92 4.416 -0.705 8.901 1.00 10.00 H new ATOM 0 HG11 VAL A 92 2.083 -1.295 9.626 1.00 10.00 H new ATOM 0 HG12 VAL A 92 2.133 -0.109 8.300 1.00 10.00 H new ATOM 0 HG13 VAL A 92 1.736 -1.810 7.958 1.00 10.00 H new ATOM 0 HG21 VAL A 92 3.753 -2.905 9.956 1.00 10.00 H new ATOM 0 HG22 VAL A 92 3.610 -3.598 8.323 1.00 10.00 H new ATOM 0 HG23 VAL A 92 5.190 -3.032 8.914 1.00 10.00 H new 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 0 H GLY A 93 2.185 -0.022 5.958 1.00 10.00 H new ATOM 0 HA2 GLY A 93 3.277 2.675 6.323 1.00 10.00 H new ATOM 0 HA3 GLY A 93 2.740 2.201 4.724 1.00 10.00 H new 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 0 H LYS A 94 1.349 4.291 5.975 1.00 10.00 H new ATOM 0 HA LYS A 94 -1.224 3.113 6.877 1.00 10.00 H new ATOM 0 HB2 LYS A 94 0.490 3.898 8.719 1.00 10.00 H new ATOM 0 HB3 LYS A 94 0.082 5.510 8.167 1.00 10.00 H new ATOM 0 HG2 LYS A 94 -2.257 5.219 8.759 1.00 10.00 H new ATOM 0 HG3 LYS A 94 -2.046 3.499 9.023 1.00 10.00 H new ATOM 0 HD2 LYS A 94 -0.395 4.032 10.884 1.00 10.00 H new ATOM 0 HD3 LYS A 94 -0.738 5.736 10.658 1.00 10.00 H new ATOM 0 HE2 LYS A 94 -3.123 5.372 11.210 1.00 10.00 H new ATOM 0 HE3 LYS A 94 -2.864 3.642 11.319 1.00 10.00 H new ATOM 0 HZ1 LYS A 94 -2.904 4.661 13.487 1.00 10.00 H new ATOM 0 HZ2 LYS A 94 -1.366 4.011 13.178 1.00 10.00 H new ATOM 0 HZ3 LYS A 94 -1.617 5.687 13.072 1.00 10.00 H new 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 0 H VAL A 95 -3.058 4.396 6.412 1.00 10.00 H new ATOM 0 HA VAL A 95 -2.644 6.686 4.569 1.00 10.00 H new ATOM 0 HB VAL A 95 -4.347 4.231 4.445 1.00 10.00 H new ATOM 0 HG11 VAL A 95 -5.789 5.261 2.712 1.00 10.00 H new ATOM 0 HG12 VAL A 95 -5.988 6.010 4.315 1.00 10.00 H new ATOM 0 HG13 VAL A 95 -5.041 6.838 3.056 1.00 10.00 H new ATOM 0 HG21 VAL A 95 -3.706 4.284 2.032 1.00 10.00 H new ATOM 0 HG22 VAL A 95 -2.767 5.764 2.342 1.00 10.00 H new ATOM 0 HG23 VAL A 95 -2.294 4.232 3.115 1.00 10.00 H new 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 0 H VAL A 96 -3.770 8.465 5.275 1.00 10.00 H new ATOM 0 HA VAL A 96 -6.119 8.129 7.106 1.00 10.00 H new ATOM 0 HB VAL A 96 -3.970 10.222 6.785 1.00 10.00 H new ATOM 0 HG11 VAL A 96 -5.107 11.446 8.627 1.00 10.00 H new ATOM 0 HG12 VAL A 96 -6.132 11.318 7.178 1.00 10.00 H new ATOM 0 HG13 VAL A 96 -6.434 10.262 8.578 1.00 10.00 H new ATOM 0 HG21 VAL A 96 -3.512 9.702 9.205 1.00 10.00 H new ATOM 0 HG22 VAL A 96 -4.766 8.440 9.151 1.00 10.00 H new ATOM 0 HG23 VAL A 96 -3.290 8.271 8.171 1.00 10.00 H new 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 0 H VAL A 97 -7.743 7.923 5.404 1.00 10.00 H new ATOM 0 HA VAL A 97 -7.785 9.922 3.307 1.00 10.00 H new ATOM 0 HB VAL A 97 -9.957 8.080 4.320 1.00 10.00 H new ATOM 0 HG11 VAL A 97 -10.877 8.406 2.028 1.00 10.00 H new ATOM 0 HG12 VAL A 97 -10.757 9.948 2.907 1.00 10.00 H new ATOM 0 HG13 VAL A 97 -9.552 9.536 1.664 1.00 10.00 H new ATOM 0 HG21 VAL A 97 -9.278 6.579 2.476 1.00 10.00 H new ATOM 0 HG22 VAL A 97 -7.905 7.653 2.115 1.00 10.00 H new ATOM 0 HG23 VAL A 97 -7.973 6.787 3.669 1.00 10.00 H new 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 0 H ASP A 98 -8.545 12.013 3.531 1.00 10.00 H new ATOM 0 HA ASP A 98 -9.975 12.823 5.997 1.00 10.00 H new ATOM 0 HB2 ASP A 98 -7.791 13.875 5.283 1.00 10.00 H new ATOM 0 HB3 ASP A 98 -8.574 14.396 3.804 1.00 10.00 H new 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 END