USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 hydrogens (5 hets) HEADER TRANSFERASE 10-JAN-07 2OI3 TITLE NMR STRUCTURE ANALYSIS OF THE HEMATOPOETIC CELL KINASE SH3 TITLE 2 DOMAIN COMPLEXED WITH AN ARTIFICIAL HIGH AFFINITY LIGAND TITLE 3 (PD1) COMPND MOL_ID: 1; COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE HCK; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SH3 DOMAIN, RESIDUES 60-140; COMPND 5 SYNONYM: P59-HCK/P60-HCK, HEMOPOIETIC CELL KINASE; COMPND 6 EC: 2.7.10.2; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: ARTIFICIAL PEPTIDE PD1; COMPND 0 CHAIN: B; COMPND 1 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: HCK; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX6P2; SOURCE 1 MOL_ID: 2; SOURCE 2 SYNTHETIC: YES KEYWDS HUMAN HCK, SH3, SRC-TYPE TYROSINE KINASE, NMR, TRANSFERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR H.SCHMIDT,M.STOLDT,S.HOFFMANN,T.TRAN,D.WILLBOLD REVDAT 2 24-FEB-09 2OI3 1 VERSN REVDAT 1 20-FEB-07 2OI3 0 JRNL AUTH H.SCHMIDT,S.HOFFMANN,T.TRAN,M.STOLDT,T.STANGLER, JRNL AUTH 2 K.WIESEHAN,D.WILLBOLD JRNL TITL SOLUTION STRUCTURE OF A HCK SH3 DOMAIN LIGAND JRNL TITL 2 COMPLEX REVEALS NOVEL INTERACTION MODES JRNL REF J.MOL.BIOL. V. 365 1517 2007 JRNL REFN ISSN 0022-2836 JRNL PMID 17141806 JRNL DOI 10.1016/J.JMB.2006.11.013 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : RADAR 0.9B, AMBER 8.0 REMARK 3 AUTHORS : HERRMANN (RADAR), CASE (AMBER) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2OI3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JAN-07. REMARK 100 THE RCSB ID CODE IS RCSB041162. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.7 REMARK 210 IONIC STRENGTH : 20MM KPO4, 20MM NACL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.3MM HCK-SH3 U-13C, U-15N: REMARK 210 1.3MM PD1, 20MM KPO4, 20MM REMARK 210 NACL, PH 6.7, 93% H2O, 7% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 3D_13C/ REMARK 210 15N-FILTERED/EDITED NOESY, 2D_ REMARK 210 13C/15N-DOUBLE FILTERED NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.3, CARA/NEASY REMARK 210 1.3.1, VNMRJ 1.1D, CYANA 1.1 REMARK 210 METHOD USED : SIMULATED ANNEALING WITH REMARK 210 GENERALIZED BORN SOLVENT MODEL REMARK 210 AND NMR DISTANCE CONSTRAINTS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 VAL A 28 CA - CB - CG1 ANGL. DEV. = 10.3 DEGREES REMARK 500 VAL A 78 CA - CB - CG1 ANGL. DEV. = 9.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 21 -167.68 57.81 REMARK 500 ALA A 36 75.60 27.28 REMARK 500 SER A 56 21.63 -146.22 REMARK 500 SER A 64 106.36 -49.39 REMARK 500 THR A 67 -4.86 -140.32 REMARK 500 PRO B 92 49.71 -76.33 REMARK 500 LEU B 93 154.04 59.61 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 B 100 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 6581 RELATED DB: BMRB REMARK 900 SEQUENCE-SPECIFIC 1H, 13C AND 15N RESONANCE ASSIGNMENTS OF REMARK 900 HEMATOPOIETIC CELL KINASE SH3 DOMAINS IN COMPLEX WITH A REMARK 900 SYNTHETIC PEPTIDE REMARK 900 RELATED ID: 2A4Y RELATED DB: PDB REMARK 900 NMR STRUCTURE ANALYSIS OF THE HEMATOPOETIC CELL KINASE SH3 REMARK 900 DOMAIN COMPLEXED WITH AN ARTIFICIAL HIGH AFFINITY LIGAND REMARK 900 (PD1) DBREF 2OI3 A 6 86 UNP P08631 HCK_HUMAN 60 140 DBREF 2OI3 B 87 100 PDB 2OI3 2OI3 87 100 SEQADV 2OI3 GLY A 1 UNP P08631 CLONING ARTIFACT SEQADV 2OI3 PRO A 2 UNP P08631 CLONING ARTIFACT SEQADV 2OI3 LEU A 3 UNP P08631 CLONING ARTIFACT SEQADV 2OI3 GLY A 4 UNP P08631 CLONING ARTIFACT SEQADV 2OI3 SER A 5 UNP P08631 CLONING ARTIFACT SEQRES 1 A 86 GLY PRO LEU GLY SER PRO GLY PRO ASN SER HIS ASN SER SEQRES 2 A 86 ASN THR PRO GLY ILE ARG GLU ALA GLY SER GLU ASP ILE SEQRES 3 A 86 ILE VAL VAL ALA LEU TYR ASP TYR GLU ALA ILE HIS HIS SEQRES 4 A 86 GLU ASP LEU SER PHE GLN LYS GLY ASP GLN MET VAL VAL SEQRES 5 A 86 LEU GLU GLU SER GLY GLU TRP TRP LYS ALA ARG SER LEU SEQRES 6 A 86 ALA THR ARG LYS GLU GLY TYR ILE PRO SER ASN TYR VAL SEQRES 7 A 86 ALA ARG VAL ASP SER LEU GLU THR SEQRES 1 B 14 ACE HIS SER LYS TYR PRO LEU PRO PRO LEU PRO SER LEU SEQRES 2 B 14 NH2 HET ACE B 87 6 HET NH2 B 100 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 2 ACE C2 H4 O FORMUL 2 NH2 H2 N HELIX 1 1 ASP A 82 LEU A 84 5 3 SHEET 1 A 5 GLU A 70 PRO A 74 0 SHEET 2 A 5 TRP A 59 SER A 64 -1 N ALA A 62 O GLY A 71 SHEET 3 A 5 GLN A 49 GLU A 55 -1 N LEU A 53 O LYS A 61 SHEET 4 A 5 ILE A 26 ALA A 30 -1 N ILE A 26 O VAL A 52 SHEET 5 A 5 VAL A 78 ARG A 80 -1 O ALA A 79 N VAL A 29 LINK C ACE B 87 N HIS B 88 1555 1555 1.33 LINK C LEU B 99 N NH2 B 100 1555 1555 1.33 SITE *** AC2 2 SER B 98 LEU B 99 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00612 USER MOD Single : A 9 ASN : amide:sc=0.000803 K(o=0.0008,f=-1.5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.018) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 13 SER OG : rot 15:sc= 0.963 USER MOD Single : A 14 ASN : amide:sc= 0.0146 K(o=0.015,f=-1.9) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 83:sc= 0.314 USER MOD Single : A 38 HIS : no HD1:sc= 0.169 K(o=0.17,f=-2.5!) USER MOD Single : A 39 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.241 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -170:sc= -0.125 (180deg=-0.343) USER MOD Single : A 56 SER OG : rot -48:sc= 0.232 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -54:sc= 1.29 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -59:sc= 1.29 USER MOD Single : A 76 ASN : amide:sc= -0.659 K(o=-0.66,f=-5.5) USER MOD Single : A 77 TYR OH : rot 4:sc= 0.14 USER MOD Single : A 83 SER OG : rot -41:sc= 0.367 USER MOD Single : A 86 THR OG1 : rot 36:sc= 0.838 USER MOD Single : B 88 HIS : no HE2:sc= 0.114 K(o=0.11,f=-0.64) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 90 LYS NZ :NH3+ 132:sc= 0.564 (180deg=-0.513!) USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.216 -9.913 0.446 1.00 0.00 N ATOM 2 CA GLY A 1 3.658 -9.955 0.105 1.00 0.00 C ATOM 3 C GLY A 1 4.006 -8.948 -0.990 1.00 0.00 C ATOM 4 O GLY A 1 3.434 -9.035 -2.082 1.00 0.00 O ATOM 0 H1 GLY A 1 2.015 -10.609 1.192 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.967 -8.962 0.784 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.653 -10.139 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.250 -9.744 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.926 -10.959 -0.225 1.00 0.00 H new ATOM 10 N PRO A 2 4.916 -7.985 -0.735 1.00 0.00 N ATOM 11 CA PRO A 2 5.316 -6.965 -1.710 1.00 0.00 C ATOM 12 C PRO A 2 6.165 -7.523 -2.860 1.00 0.00 C ATOM 13 O PRO A 2 6.787 -8.588 -2.769 1.00 0.00 O ATOM 14 CB PRO A 2 6.081 -5.914 -0.897 1.00 0.00 C ATOM 15 CG PRO A 2 6.701 -6.729 0.235 1.00 0.00 C ATOM 16 CD PRO A 2 5.638 -7.790 0.519 1.00 0.00 C ATOM 0 HA PRO A 2 4.442 -6.546 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.842 -5.416 -1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.417 -5.138 -0.517 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.649 -7.177 -0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.901 -6.114 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.096 -8.721 0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.963 -7.464 1.311 1.00 0.00 H new ATOM 24 N LEU A 3 6.179 -6.765 -3.958 1.00 0.00 N ATOM 25 CA LEU A 3 6.923 -7.060 -5.183 1.00 0.00 C ATOM 26 C LEU A 3 8.450 -6.908 -5.008 1.00 0.00 C ATOM 27 O LEU A 3 8.930 -6.222 -4.099 1.00 0.00 O ATOM 28 CB LEU A 3 6.411 -6.114 -6.286 1.00 0.00 C ATOM 29 CG LEU A 3 4.936 -6.295 -6.698 1.00 0.00 C ATOM 30 CD1 LEU A 3 4.564 -5.235 -7.736 1.00 0.00 C ATOM 31 CD2 LEU A 3 4.664 -7.672 -7.307 1.00 0.00 C ATOM 0 H LEU A 3 5.651 -5.894 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 3 6.754 -8.103 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.551 -5.087 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.034 -6.248 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 3 4.337 -6.195 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.522 -5.362 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.703 -4.242 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.202 -5.344 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.611 -7.748 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.280 -7.805 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.907 -8.446 -6.579 1.00 0.00 H new ATOM 43 N GLY A 4 9.214 -7.507 -5.926 1.00 0.00 N ATOM 44 CA GLY A 4 10.675 -7.378 -6.011 1.00 0.00 C ATOM 45 C GLY A 4 11.281 -8.080 -7.235 1.00 0.00 C ATOM 46 O GLY A 4 10.636 -8.916 -7.877 1.00 0.00 O ATOM 0 H GLY A 4 8.825 -8.111 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.937 -6.320 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.122 -7.791 -5.107 1.00 0.00 H new ATOM 50 N SER A 5 12.526 -7.731 -7.565 1.00 0.00 N ATOM 51 CA SER A 5 13.305 -8.319 -8.669 1.00 0.00 C ATOM 52 C SER A 5 13.913 -9.697 -8.317 1.00 0.00 C ATOM 53 O SER A 5 14.024 -10.037 -7.129 1.00 0.00 O ATOM 54 CB SER A 5 14.417 -7.337 -9.079 1.00 0.00 C ATOM 55 OG SER A 5 15.211 -6.949 -7.967 1.00 0.00 O ATOM 0 H SER A 5 13.040 -7.010 -7.059 1.00 0.00 H new ATOM 0 HA SER A 5 12.619 -8.490 -9.499 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.051 -7.800 -9.835 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.972 -6.453 -9.535 1.00 0.00 H new ATOM 0 HG SER A 5 15.908 -6.327 -8.264 1.00 0.00 H new ATOM 61 N PRO A 6 14.328 -10.507 -9.319 1.00 0.00 N ATOM 62 CA PRO A 6 15.126 -11.723 -9.114 1.00 0.00 C ATOM 63 C PRO A 6 16.404 -11.507 -8.279 1.00 0.00 C ATOM 64 O PRO A 6 16.966 -10.407 -8.239 1.00 0.00 O ATOM 65 CB PRO A 6 15.472 -12.232 -10.519 1.00 0.00 C ATOM 66 CG PRO A 6 14.342 -11.685 -11.386 1.00 0.00 C ATOM 67 CD PRO A 6 14.043 -10.335 -10.738 1.00 0.00 C ATOM 0 HA PRO A 6 14.548 -12.442 -8.533 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.444 -11.867 -10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.512 -13.321 -10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 6 14.647 -11.576 -12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.471 -12.340 -11.376 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.662 -9.548 -11.169 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.004 -10.046 -10.896 1.00 0.00 H new ATOM 75 N GLY A 7 16.896 -12.578 -7.647 1.00 0.00 N ATOM 76 CA GLY A 7 18.043 -12.531 -6.730 1.00 0.00 C ATOM 77 C GLY A 7 18.612 -13.906 -6.389 1.00 0.00 C ATOM 78 O GLY A 7 18.155 -14.522 -5.419 1.00 0.00 O ATOM 0 H GLY A 7 16.505 -13.514 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.829 -11.923 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.740 -12.034 -5.808 1.00 0.00 H new ATOM 82 N PRO A 8 19.576 -14.413 -7.175 1.00 0.00 N ATOM 83 CA PRO A 8 20.184 -15.715 -6.937 1.00 0.00 C ATOM 84 C PRO A 8 21.099 -15.740 -5.696 1.00 0.00 C ATOM 85 O PRO A 8 21.496 -14.703 -5.158 1.00 0.00 O ATOM 86 CB PRO A 8 20.939 -16.041 -8.233 1.00 0.00 C ATOM 87 CG PRO A 8 21.307 -14.664 -8.787 1.00 0.00 C ATOM 88 CD PRO A 8 20.131 -13.785 -8.362 1.00 0.00 C ATOM 0 HA PRO A 8 19.429 -16.467 -6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 8 21.825 -16.646 -8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 8 20.316 -16.601 -8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 8 22.249 -14.303 -8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 8 21.422 -14.685 -9.871 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.460 -12.768 -8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.386 -13.719 -9.154 1.00 0.00 H new ATOM 96 N ASN A 9 21.451 -16.949 -5.246 1.00 0.00 N ATOM 97 CA ASN A 9 22.248 -17.200 -4.033 1.00 0.00 C ATOM 98 C ASN A 9 23.758 -16.867 -4.150 1.00 0.00 C ATOM 99 O ASN A 9 24.492 -17.016 -3.169 1.00 0.00 O ATOM 100 CB ASN A 9 22.022 -18.658 -3.580 1.00 0.00 C ATOM 101 CG ASN A 9 22.725 -19.699 -4.444 1.00 0.00 C ATOM 102 OD1 ASN A 9 22.668 -19.680 -5.667 1.00 0.00 O ATOM 103 ND2 ASN A 9 23.407 -20.649 -3.843 1.00 0.00 N ATOM 0 H ASN A 9 21.183 -17.807 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 9 21.890 -16.501 -3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 9 22.366 -18.764 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 9 20.952 -18.865 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 9 23.883 -21.362 -4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 9 23.460 -20.673 -2.825 1.00 0.00 H new ATOM 110 N SER A 10 24.233 -16.430 -5.320 1.00 0.00 N ATOM 111 CA SER A 10 25.635 -16.066 -5.594 1.00 0.00 C ATOM 112 C SER A 10 25.757 -14.952 -6.649 1.00 0.00 C ATOM 113 O SER A 10 24.790 -14.628 -7.347 1.00 0.00 O ATOM 114 CB SER A 10 26.421 -17.313 -6.036 1.00 0.00 C ATOM 115 OG SER A 10 25.910 -17.849 -7.249 1.00 0.00 O ATOM 0 H SER A 10 23.632 -16.314 -6.136 1.00 0.00 H new ATOM 0 HA SER A 10 26.059 -15.674 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 10 27.472 -17.055 -6.166 1.00 0.00 H new ATOM 0 HB3 SER A 10 26.373 -18.071 -5.254 1.00 0.00 H new ATOM 0 HG SER A 10 26.432 -18.639 -7.503 1.00 0.00 H new ATOM 121 N HIS A 11 26.951 -14.358 -6.769 1.00 0.00 N ATOM 122 CA HIS A 11 27.257 -13.283 -7.723 1.00 0.00 C ATOM 123 C HIS A 11 28.721 -13.334 -8.196 1.00 0.00 C ATOM 124 O HIS A 11 29.623 -13.723 -7.448 1.00 0.00 O ATOM 125 CB HIS A 11 26.938 -11.930 -7.061 1.00 0.00 C ATOM 126 CG HIS A 11 27.147 -10.741 -7.967 1.00 0.00 C ATOM 127 ND1 HIS A 11 28.246 -9.908 -7.985 1.00 0.00 N ATOM 128 CD2 HIS A 11 26.289 -10.295 -8.937 1.00 0.00 C ATOM 129 CE1 HIS A 11 28.057 -8.984 -8.943 1.00 0.00 C ATOM 130 NE2 HIS A 11 26.872 -9.178 -9.553 1.00 0.00 N ATOM 0 H HIS A 11 27.751 -14.617 -6.192 1.00 0.00 H new ATOM 0 HA HIS A 11 26.640 -13.414 -8.612 1.00 0.00 H new ATOM 0 HB2 HIS A 11 25.902 -11.938 -6.722 1.00 0.00 H new ATOM 0 HB3 HIS A 11 27.563 -11.814 -6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 11 25.331 -10.728 -9.184 1.00 0.00 H new ATOM 0 HE1 HIS A 11 28.756 -8.198 -9.189 1.00 0.00 H new ATOM 0 HE2 HIS A 11 26.477 -8.623 -10.312 1.00 0.00 H new ATOM 138 N ASN A 12 28.944 -12.928 -9.449 1.00 0.00 N ATOM 139 CA ASN A 12 30.238 -12.914 -10.135 1.00 0.00 C ATOM 140 C ASN A 12 30.242 -11.892 -11.293 1.00 0.00 C ATOM 141 O ASN A 12 29.184 -11.464 -11.762 1.00 0.00 O ATOM 142 CB ASN A 12 30.544 -14.341 -10.643 1.00 0.00 C ATOM 143 CG ASN A 12 29.623 -14.812 -11.764 1.00 0.00 C ATOM 144 OD1 ASN A 12 28.439 -15.058 -11.578 1.00 0.00 O ATOM 145 ND2 ASN A 12 30.134 -14.965 -12.967 1.00 0.00 N ATOM 0 H ASN A 12 28.189 -12.583 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 12 31.017 -12.604 -9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 12 31.575 -14.377 -10.995 1.00 0.00 H new ATOM 0 HB3 ASN A 12 30.468 -15.037 -9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 12 29.544 -15.286 -13.735 1.00 0.00 H new ATOM 0 HD22 ASN A 12 31.120 -14.762 -13.132 1.00 0.00 H new ATOM 152 N SER A 13 31.426 -11.502 -11.776 1.00 0.00 N ATOM 153 CA SER A 13 31.611 -10.631 -12.957 1.00 0.00 C ATOM 154 C SER A 13 33.023 -10.750 -13.552 1.00 0.00 C ATOM 155 O SER A 13 33.987 -11.058 -12.845 1.00 0.00 O ATOM 156 CB SER A 13 31.364 -9.160 -12.579 1.00 0.00 C ATOM 157 OG SER A 13 29.982 -8.927 -12.360 1.00 0.00 O ATOM 0 H SER A 13 32.308 -11.787 -11.351 1.00 0.00 H new ATOM 0 HA SER A 13 30.890 -10.961 -13.705 1.00 0.00 H new ATOM 0 HB2 SER A 13 31.928 -8.910 -11.680 1.00 0.00 H new ATOM 0 HB3 SER A 13 31.727 -8.509 -13.374 1.00 0.00 H new ATOM 0 HG SER A 13 29.518 -9.784 -12.256 1.00 0.00 H new ATOM 163 N ASN A 14 33.144 -10.473 -14.854 1.00 0.00 N ATOM 164 CA ASN A 14 34.395 -10.400 -15.620 1.00 0.00 C ATOM 165 C ASN A 14 34.184 -9.503 -16.863 1.00 0.00 C ATOM 166 O ASN A 14 33.045 -9.153 -17.192 1.00 0.00 O ATOM 167 CB ASN A 14 34.816 -11.837 -16.007 1.00 0.00 C ATOM 168 CG ASN A 14 36.228 -11.938 -16.570 1.00 0.00 C ATOM 169 OD1 ASN A 14 37.087 -11.098 -16.337 1.00 0.00 O ATOM 170 ND2 ASN A 14 36.517 -12.969 -17.332 1.00 0.00 N ATOM 0 H ASN A 14 32.327 -10.283 -15.435 1.00 0.00 H new ATOM 0 HA ASN A 14 35.194 -9.955 -15.027 1.00 0.00 H new ATOM 0 HB2 ASN A 14 34.740 -12.476 -15.127 1.00 0.00 H new ATOM 0 HB3 ASN A 14 34.113 -12.224 -16.745 1.00 0.00 H new ATOM 0 HD21 ASN A 14 37.453 -13.066 -17.726 1.00 0.00 H new ATOM 0 HD22 ASN A 14 35.805 -13.672 -17.530 1.00 0.00 H new ATOM 177 N THR A 15 35.252 -9.132 -17.573 1.00 0.00 N ATOM 178 CA THR A 15 35.160 -8.388 -18.841 1.00 0.00 C ATOM 179 C THR A 15 34.427 -9.184 -19.943 1.00 0.00 C ATOM 180 O THR A 15 34.527 -10.418 -19.987 1.00 0.00 O ATOM 181 CB THR A 15 36.545 -7.968 -19.370 1.00 0.00 C ATOM 182 OG1 THR A 15 37.474 -9.032 -19.305 1.00 0.00 O ATOM 183 CG2 THR A 15 37.125 -6.803 -18.568 1.00 0.00 C ATOM 0 H THR A 15 36.210 -9.337 -17.288 1.00 0.00 H new ATOM 0 HA THR A 15 34.579 -7.496 -18.607 1.00 0.00 H new ATOM 0 HB THR A 15 36.389 -7.670 -20.407 1.00 0.00 H new ATOM 0 HG1 THR A 15 38.341 -8.731 -19.650 1.00 0.00 H new ATOM 0 HG21 THR A 15 38.102 -6.535 -18.970 1.00 0.00 H new ATOM 0 HG22 THR A 15 36.456 -5.945 -18.637 1.00 0.00 H new ATOM 0 HG23 THR A 15 37.231 -7.097 -17.524 1.00 0.00 H new ATOM 191 N PRO A 16 33.696 -8.500 -20.848 1.00 0.00 N ATOM 192 CA PRO A 16 33.064 -9.110 -22.018 1.00 0.00 C ATOM 193 C PRO A 16 34.072 -9.434 -23.130 1.00 0.00 C ATOM 194 O PRO A 16 35.289 -9.331 -22.956 1.00 0.00 O ATOM 195 CB PRO A 16 32.001 -8.103 -22.466 1.00 0.00 C ATOM 196 CG PRO A 16 32.542 -6.750 -22.015 1.00 0.00 C ATOM 197 CD PRO A 16 33.414 -7.073 -20.803 1.00 0.00 C ATOM 0 HA PRO A 16 32.623 -10.077 -21.775 1.00 0.00 H new ATOM 0 HB2 PRO A 16 31.856 -8.133 -23.546 1.00 0.00 H new ATOM 0 HB3 PRO A 16 31.035 -8.316 -22.009 1.00 0.00 H new ATOM 0 HG2 PRO A 16 33.121 -6.271 -22.804 1.00 0.00 H new ATOM 0 HG3 PRO A 16 31.734 -6.067 -21.752 1.00 0.00 H new ATOM 0 HD2 PRO A 16 34.339 -6.496 -20.829 1.00 0.00 H new ATOM 0 HD3 PRO A 16 32.901 -6.811 -19.878 1.00 0.00 H new ATOM 205 N GLY A 17 33.550 -9.816 -24.299 1.00 0.00 N ATOM 206 CA GLY A 17 34.302 -10.292 -25.462 1.00 0.00 C ATOM 207 C GLY A 17 35.080 -9.221 -26.249 1.00 0.00 C ATOM 208 O GLY A 17 35.068 -9.234 -27.482 1.00 0.00 O ATOM 0 H GLY A 17 32.544 -9.801 -24.467 1.00 0.00 H new ATOM 0 HA2 GLY A 17 35.008 -11.052 -25.127 1.00 0.00 H new ATOM 0 HA3 GLY A 17 33.606 -10.781 -26.144 1.00 0.00 H new ATOM 212 N ILE A 18 35.720 -8.273 -25.554 1.00 0.00 N ATOM 213 CA ILE A 18 36.551 -7.197 -26.121 1.00 0.00 C ATOM 214 C ILE A 18 37.683 -7.778 -26.991 1.00 0.00 C ATOM 215 O ILE A 18 38.404 -8.687 -26.564 1.00 0.00 O ATOM 216 CB ILE A 18 37.119 -6.314 -24.982 1.00 0.00 C ATOM 217 CG1 ILE A 18 36.027 -5.725 -24.053 1.00 0.00 C ATOM 218 CG2 ILE A 18 37.997 -5.179 -25.539 1.00 0.00 C ATOM 219 CD1 ILE A 18 34.943 -4.887 -24.747 1.00 0.00 C ATOM 0 H ILE A 18 35.673 -8.231 -24.536 1.00 0.00 H new ATOM 0 HA ILE A 18 35.929 -6.575 -26.765 1.00 0.00 H new ATOM 0 HB ILE A 18 37.730 -6.982 -24.375 1.00 0.00 H new ATOM 0 HG12 ILE A 18 35.543 -6.547 -23.526 1.00 0.00 H new ATOM 0 HG13 ILE A 18 36.513 -5.105 -23.300 1.00 0.00 H new ATOM 0 HG21 ILE A 18 38.380 -4.578 -24.715 1.00 0.00 H new ATOM 0 HG22 ILE A 18 38.831 -5.605 -26.096 1.00 0.00 H new ATOM 0 HG23 ILE A 18 37.402 -4.550 -26.201 1.00 0.00 H new ATOM 0 HD11 ILE A 18 34.232 -4.525 -24.004 1.00 0.00 H new ATOM 0 HD12 ILE A 18 35.406 -4.038 -25.250 1.00 0.00 H new ATOM 0 HD13 ILE A 18 34.421 -5.502 -25.480 1.00 0.00 H new ATOM 231 N ARG A 19 37.828 -7.260 -28.219 1.00 0.00 N ATOM 232 CA ARG A 19 38.798 -7.741 -29.218 1.00 0.00 C ATOM 233 C ARG A 19 40.246 -7.307 -28.958 1.00 0.00 C ATOM 234 O ARG A 19 40.553 -6.528 -28.053 1.00 0.00 O ATOM 235 CB ARG A 19 38.363 -7.285 -30.622 1.00 0.00 C ATOM 236 CG ARG A 19 36.933 -7.660 -31.016 1.00 0.00 C ATOM 237 CD ARG A 19 36.564 -9.133 -30.788 1.00 0.00 C ATOM 238 NE ARG A 19 35.188 -9.413 -31.247 1.00 0.00 N ATOM 239 CZ ARG A 19 34.469 -10.491 -30.983 1.00 0.00 C ATOM 240 NH1 ARG A 19 34.935 -11.481 -30.274 1.00 0.00 N ATOM 241 NH2 ARG A 19 33.253 -10.598 -31.439 1.00 0.00 N ATOM 0 H ARG A 19 37.264 -6.479 -28.554 1.00 0.00 H new ATOM 0 HA ARG A 19 38.794 -8.828 -29.140 1.00 0.00 H new ATOM 0 HB2 ARG A 19 38.467 -6.202 -30.683 1.00 0.00 H new ATOM 0 HB3 ARG A 19 39.048 -7.713 -31.354 1.00 0.00 H new ATOM 0 HG2 ARG A 19 36.241 -7.036 -30.451 1.00 0.00 H new ATOM 0 HG3 ARG A 19 36.788 -7.423 -32.070 1.00 0.00 H new ATOM 0 HD2 ARG A 19 37.266 -9.774 -31.321 1.00 0.00 H new ATOM 0 HD3 ARG A 19 36.654 -9.374 -29.729 1.00 0.00 H new ATOM 0 HE ARG A 19 34.746 -8.700 -31.828 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.884 -11.440 -29.902 1.00 0.00 H new ATOM 0 HH12 ARG A 19 34.351 -12.297 -30.091 1.00 0.00 H new ATOM 0 HH21 ARG A 19 32.852 -9.848 -32.002 1.00 0.00 H new ATOM 0 HH22 ARG A 19 32.702 -11.431 -31.233 1.00 0.00 H new ATOM 255 N GLU A 20 41.122 -7.820 -29.815 1.00 0.00 N ATOM 256 CA GLU A 20 42.581 -7.659 -29.810 1.00 0.00 C ATOM 257 C GLU A 20 43.153 -7.658 -31.248 1.00 0.00 C ATOM 258 O GLU A 20 42.458 -8.021 -32.204 1.00 0.00 O ATOM 259 CB GLU A 20 43.203 -8.827 -29.020 1.00 0.00 C ATOM 260 CG GLU A 20 42.951 -8.767 -27.507 1.00 0.00 C ATOM 261 CD GLU A 20 43.757 -9.854 -26.772 1.00 0.00 C ATOM 262 OE1 GLU A 20 43.267 -11.003 -26.644 1.00 0.00 O ATOM 263 OE2 GLU A 20 44.890 -9.567 -26.310 1.00 0.00 O ATOM 0 H GLU A 20 40.813 -8.404 -30.592 1.00 0.00 H new ATOM 0 HA GLU A 20 42.824 -6.703 -29.347 1.00 0.00 H new ATOM 0 HB2 GLU A 20 42.805 -9.765 -29.407 1.00 0.00 H new ATOM 0 HB3 GLU A 20 44.278 -8.840 -29.198 1.00 0.00 H new ATOM 0 HG2 GLU A 20 43.228 -7.784 -27.127 1.00 0.00 H new ATOM 0 HG3 GLU A 20 41.888 -8.899 -27.306 1.00 0.00 H new ATOM 270 N ALA A 21 44.443 -7.314 -31.387 1.00 0.00 N ATOM 271 CA ALA A 21 45.226 -7.344 -32.634 1.00 0.00 C ATOM 272 C ALA A 21 44.659 -6.488 -33.800 1.00 0.00 C ATOM 273 O ALA A 21 43.814 -5.607 -33.606 1.00 0.00 O ATOM 274 CB ALA A 21 45.508 -8.817 -32.991 1.00 0.00 C ATOM 0 H ALA A 21 44.997 -6.991 -30.593 1.00 0.00 H new ATOM 0 HA ALA A 21 46.173 -6.834 -32.454 1.00 0.00 H new ATOM 0 HB1 ALA A 21 46.088 -8.863 -33.913 1.00 0.00 H new ATOM 0 HB2 ALA A 21 46.071 -9.286 -32.184 1.00 0.00 H new ATOM 0 HB3 ALA A 21 44.564 -9.345 -33.129 1.00 0.00 H new ATOM 280 N GLY A 22 45.197 -6.692 -35.011 1.00 0.00 N ATOM 281 CA GLY A 22 44.884 -5.893 -36.212 1.00 0.00 C ATOM 282 C GLY A 22 45.743 -6.182 -37.452 1.00 0.00 C ATOM 283 O GLY A 22 45.330 -5.901 -38.577 1.00 0.00 O ATOM 0 H GLY A 22 45.876 -7.432 -35.190 1.00 0.00 H new ATOM 0 HA2 GLY A 22 43.838 -6.057 -36.472 1.00 0.00 H new ATOM 0 HA3 GLY A 22 44.988 -4.838 -35.960 1.00 0.00 H new ATOM 287 N SER A 23 46.927 -6.766 -37.246 1.00 0.00 N ATOM 288 CA SER A 23 47.964 -7.063 -38.257 1.00 0.00 C ATOM 289 C SER A 23 47.504 -7.773 -39.539 1.00 0.00 C ATOM 290 O SER A 23 48.099 -7.587 -40.602 1.00 0.00 O ATOM 291 CB SER A 23 49.043 -7.929 -37.613 1.00 0.00 C ATOM 292 OG SER A 23 49.657 -7.252 -36.526 1.00 0.00 O ATOM 0 H SER A 23 47.211 -7.065 -36.313 1.00 0.00 H new ATOM 0 HA SER A 23 48.312 -6.081 -38.578 1.00 0.00 H new ATOM 0 HB2 SER A 23 48.604 -8.863 -37.263 1.00 0.00 H new ATOM 0 HB3 SER A 23 49.797 -8.190 -38.356 1.00 0.00 H new ATOM 0 HG SER A 23 50.344 -7.827 -36.128 1.00 0.00 H new ATOM 298 N GLU A 24 46.463 -8.600 -39.439 1.00 0.00 N ATOM 299 CA GLU A 24 45.999 -9.527 -40.490 1.00 0.00 C ATOM 300 C GLU A 24 44.466 -9.565 -40.631 1.00 0.00 C ATOM 301 O GLU A 24 43.848 -10.555 -41.029 1.00 0.00 O ATOM 302 CB GLU A 24 46.652 -10.890 -40.262 1.00 0.00 C ATOM 303 CG GLU A 24 46.338 -11.507 -38.896 1.00 0.00 C ATOM 304 CD GLU A 24 47.013 -12.882 -38.743 1.00 0.00 C ATOM 305 OE1 GLU A 24 48.174 -12.945 -38.267 1.00 0.00 O ATOM 306 OE2 GLU A 24 46.391 -13.916 -39.093 1.00 0.00 O ATOM 0 H GLU A 24 45.893 -8.650 -38.594 1.00 0.00 H new ATOM 0 HA GLU A 24 46.321 -9.161 -41.465 1.00 0.00 H new ATOM 0 HB2 GLU A 24 46.323 -11.575 -41.044 1.00 0.00 H new ATOM 0 HB3 GLU A 24 47.732 -10.786 -40.363 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.680 -10.840 -38.105 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.259 -11.613 -38.780 1.00 0.00 H new ATOM 313 N ASP A 25 43.874 -8.420 -40.316 1.00 0.00 N ATOM 314 CA ASP A 25 42.452 -8.085 -40.350 1.00 0.00 C ATOM 315 C ASP A 25 42.331 -6.629 -40.814 1.00 0.00 C ATOM 316 O ASP A 25 42.377 -5.689 -40.019 1.00 0.00 O ATOM 317 CB ASP A 25 41.810 -8.260 -38.970 1.00 0.00 C ATOM 318 CG ASP A 25 41.659 -9.732 -38.557 1.00 0.00 C ATOM 319 OD1 ASP A 25 40.760 -10.421 -39.100 1.00 0.00 O ATOM 320 OD2 ASP A 25 42.396 -10.190 -37.650 1.00 0.00 O ATOM 0 H ASP A 25 44.429 -7.625 -40.000 1.00 0.00 H new ATOM 0 HA ASP A 25 41.929 -8.753 -41.034 1.00 0.00 H new ATOM 0 HB2 ASP A 25 42.414 -7.741 -38.226 1.00 0.00 H new ATOM 0 HB3 ASP A 25 40.828 -7.786 -38.970 1.00 0.00 H new ATOM 325 N ILE A 26 42.261 -6.442 -42.133 1.00 0.00 N ATOM 326 CA ILE A 26 42.235 -5.125 -42.784 1.00 0.00 C ATOM 327 C ILE A 26 40.882 -4.456 -42.529 1.00 0.00 C ATOM 328 O ILE A 26 39.955 -4.549 -43.328 1.00 0.00 O ATOM 329 CB ILE A 26 42.615 -5.241 -44.279 1.00 0.00 C ATOM 330 CG1 ILE A 26 44.039 -5.815 -44.463 1.00 0.00 C ATOM 331 CG2 ILE A 26 42.458 -3.890 -45.031 1.00 0.00 C ATOM 332 CD1 ILE A 26 45.151 -4.777 -44.332 1.00 0.00 C ATOM 0 H ILE A 26 42.220 -7.217 -42.795 1.00 0.00 H new ATOM 0 HA ILE A 26 42.992 -4.473 -42.349 1.00 0.00 H new ATOM 0 HB ILE A 26 41.911 -5.944 -44.725 1.00 0.00 H new ATOM 0 HG12 ILE A 26 44.201 -6.600 -43.725 1.00 0.00 H new ATOM 0 HG13 ILE A 26 44.107 -6.282 -45.445 1.00 0.00 H new ATOM 0 HG21 ILE A 26 42.736 -4.021 -46.077 1.00 0.00 H new ATOM 0 HG22 ILE A 26 41.422 -3.558 -44.970 1.00 0.00 H new ATOM 0 HG23 ILE A 26 43.106 -3.142 -44.574 1.00 0.00 H new ATOM 0 HD11 ILE A 26 46.118 -5.260 -44.474 1.00 0.00 H new ATOM 0 HD12 ILE A 26 45.017 -4.003 -45.088 1.00 0.00 H new ATOM 0 HD13 ILE A 26 45.113 -4.326 -43.340 1.00 0.00 H new ATOM 344 N ILE A 27 40.754 -3.795 -41.380 1.00 0.00 N ATOM 345 CA ILE A 27 39.631 -2.903 -41.093 1.00 0.00 C ATOM 346 C ILE A 27 39.782 -1.693 -41.984 1.00 0.00 C ATOM 347 O ILE A 27 40.648 -0.843 -41.799 1.00 0.00 O ATOM 348 CB ILE A 27 39.534 -2.460 -39.617 1.00 0.00 C ATOM 349 CG1 ILE A 27 39.721 -3.620 -38.633 1.00 0.00 C ATOM 350 CG2 ILE A 27 38.193 -1.735 -39.396 1.00 0.00 C ATOM 351 CD1 ILE A 27 38.656 -4.711 -38.709 1.00 0.00 C ATOM 0 H ILE A 27 41.429 -3.863 -40.618 1.00 0.00 H new ATOM 0 HA ILE A 27 38.709 -3.451 -41.287 1.00 0.00 H new ATOM 0 HB ILE A 27 40.356 -1.773 -39.413 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.696 -4.073 -38.810 1.00 0.00 H new ATOM 0 HG13 ILE A 27 39.736 -3.218 -37.620 1.00 0.00 H new ATOM 0 HG21 ILE A 27 38.117 -1.419 -38.356 1.00 0.00 H new ATOM 0 HG22 ILE A 27 38.141 -0.861 -40.045 1.00 0.00 H new ATOM 0 HG23 ILE A 27 37.371 -2.411 -39.631 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.876 -5.486 -37.975 1.00 0.00 H new ATOM 0 HD12 ILE A 27 37.677 -4.279 -38.499 1.00 0.00 H new ATOM 0 HD13 ILE A 27 38.653 -5.148 -39.708 1.00 0.00 H new ATOM 363 N VAL A 28 38.903 -1.630 -42.958 1.00 0.00 N ATOM 364 CA VAL A 28 38.600 -0.450 -43.743 1.00 0.00 C ATOM 365 C VAL A 28 37.325 0.164 -43.200 1.00 0.00 C ATOM 366 O VAL A 28 36.599 -0.442 -42.422 1.00 0.00 O ATOM 367 CB VAL A 28 38.472 -0.895 -45.205 1.00 0.00 C ATOM 368 CG1 VAL A 28 37.180 -0.714 -45.967 1.00 0.00 C ATOM 369 CG2 VAL A 28 39.703 -0.658 -46.051 1.00 0.00 C ATOM 0 H VAL A 28 38.351 -2.440 -43.240 1.00 0.00 H new ATOM 0 HA VAL A 28 39.378 0.311 -43.685 1.00 0.00 H new ATOM 0 HB VAL A 28 38.392 -1.962 -44.997 1.00 0.00 H new ATOM 0 HG11 VAL A 28 37.300 -1.093 -46.982 1.00 0.00 H new ATOM 0 HG12 VAL A 28 36.382 -1.263 -45.466 1.00 0.00 H new ATOM 0 HG13 VAL A 28 36.924 0.345 -46.003 1.00 0.00 H new ATOM 0 HG21 VAL A 28 39.518 -1.004 -47.068 1.00 0.00 H new ATOM 0 HG22 VAL A 28 39.934 0.407 -46.067 1.00 0.00 H new ATOM 0 HG23 VAL A 28 40.545 -1.206 -45.629 1.00 0.00 H new ATOM 379 N VAL A 29 37.045 1.347 -43.699 1.00 0.00 N ATOM 380 CA VAL A 29 35.781 2.086 -43.602 1.00 0.00 C ATOM 381 C VAL A 29 35.352 2.520 -45.001 1.00 0.00 C ATOM 382 O VAL A 29 36.192 2.865 -45.833 1.00 0.00 O ATOM 383 CB VAL A 29 35.943 3.294 -42.665 1.00 0.00 C ATOM 384 CG1 VAL A 29 36.656 4.478 -43.304 1.00 0.00 C ATOM 385 CG2 VAL A 29 34.589 3.800 -42.168 1.00 0.00 C ATOM 0 H VAL A 29 37.744 1.869 -44.228 1.00 0.00 H new ATOM 0 HA VAL A 29 35.006 1.446 -43.180 1.00 0.00 H new ATOM 0 HB VAL A 29 36.553 2.917 -41.844 1.00 0.00 H new ATOM 0 HG11 VAL A 29 36.732 5.290 -42.581 1.00 0.00 H new ATOM 0 HG12 VAL A 29 37.656 4.175 -43.616 1.00 0.00 H new ATOM 0 HG13 VAL A 29 36.092 4.817 -44.173 1.00 0.00 H new ATOM 0 HG21 VAL A 29 34.740 4.654 -41.508 1.00 0.00 H new ATOM 0 HG22 VAL A 29 33.979 4.102 -43.019 1.00 0.00 H new ATOM 0 HG23 VAL A 29 34.082 3.005 -41.622 1.00 0.00 H new ATOM 395 N ALA A 30 34.053 2.518 -45.263 1.00 0.00 N ATOM 396 CA ALA A 30 33.452 3.148 -46.429 1.00 0.00 C ATOM 397 C ALA A 30 33.584 4.675 -46.350 1.00 0.00 C ATOM 398 O ALA A 30 33.089 5.304 -45.414 1.00 0.00 O ATOM 399 CB ALA A 30 31.985 2.754 -46.428 1.00 0.00 C ATOM 0 H ALA A 30 33.370 2.066 -44.654 1.00 0.00 H new ATOM 0 HA ALA A 30 33.951 2.824 -47.342 1.00 0.00 H new ATOM 0 HB1 ALA A 30 31.487 3.203 -47.287 1.00 0.00 H new ATOM 0 HB2 ALA A 30 31.900 1.669 -46.486 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.514 3.107 -45.510 1.00 0.00 H new ATOM 405 N LEU A 31 34.206 5.268 -47.361 1.00 0.00 N ATOM 406 CA LEU A 31 34.225 6.704 -47.608 1.00 0.00 C ATOM 407 C LEU A 31 32.848 7.224 -48.041 1.00 0.00 C ATOM 408 O LEU A 31 32.469 8.323 -47.643 1.00 0.00 O ATOM 409 CB LEU A 31 35.272 6.989 -48.698 1.00 0.00 C ATOM 410 CG LEU A 31 36.706 6.589 -48.354 1.00 0.00 C ATOM 411 CD1 LEU A 31 37.681 7.088 -49.415 1.00 0.00 C ATOM 412 CD2 LEU A 31 37.142 7.103 -46.977 1.00 0.00 C ATOM 0 H LEU A 31 34.732 4.741 -48.059 1.00 0.00 H new ATOM 0 HA LEU A 31 34.483 7.222 -46.685 1.00 0.00 H new ATOM 0 HB2 LEU A 31 34.976 6.466 -49.607 1.00 0.00 H new ATOM 0 HB3 LEU A 31 35.255 8.055 -48.924 1.00 0.00 H new ATOM 0 HG LEU A 31 36.723 5.499 -48.327 1.00 0.00 H new ATOM 0 HD11 LEU A 31 38.695 6.790 -49.147 1.00 0.00 H new ATOM 0 HD12 LEU A 31 37.420 6.656 -50.381 1.00 0.00 H new ATOM 0 HD13 LEU A 31 37.627 8.175 -49.477 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.168 6.792 -46.781 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.083 8.191 -46.959 1.00 0.00 H new ATOM 0 HD23 LEU A 31 36.485 6.692 -46.210 1.00 0.00 H new ATOM 424 N TYR A 32 32.102 6.429 -48.820 1.00 0.00 N ATOM 425 CA TYR A 32 30.809 6.792 -49.409 1.00 0.00 C ATOM 426 C TYR A 32 29.803 5.621 -49.396 1.00 0.00 C ATOM 427 O TYR A 32 30.186 4.459 -49.267 1.00 0.00 O ATOM 428 CB TYR A 32 31.067 7.240 -50.861 1.00 0.00 C ATOM 429 CG TYR A 32 32.380 7.975 -51.103 1.00 0.00 C ATOM 430 CD1 TYR A 32 32.614 9.234 -50.518 1.00 0.00 C ATOM 431 CD2 TYR A 32 33.397 7.372 -51.865 1.00 0.00 C ATOM 432 CE1 TYR A 32 33.852 9.878 -50.689 1.00 0.00 C ATOM 433 CE2 TYR A 32 34.657 7.976 -51.972 1.00 0.00 C ATOM 434 CZ TYR A 32 34.889 9.245 -51.405 1.00 0.00 C ATOM 435 OH TYR A 32 36.096 9.856 -51.545 1.00 0.00 O ATOM 0 H TYR A 32 32.394 5.483 -49.065 1.00 0.00 H new ATOM 0 HA TYR A 32 30.365 7.591 -48.815 1.00 0.00 H new ATOM 0 HB2 TYR A 32 31.041 6.360 -51.503 1.00 0.00 H new ATOM 0 HB3 TYR A 32 30.247 7.887 -51.173 1.00 0.00 H new ATOM 0 HD1 TYR A 32 31.838 9.708 -49.935 1.00 0.00 H new ATOM 0 HD2 TYR A 32 33.206 6.437 -52.371 1.00 0.00 H new ATOM 0 HE1 TYR A 32 34.009 10.861 -50.270 1.00 0.00 H new ATOM 0 HE2 TYR A 32 35.455 7.466 -52.492 1.00 0.00 H new ATOM 0 HH TYR A 32 36.695 9.281 -52.065 1.00 0.00 H new ATOM 445 N ASP A 33 28.506 5.919 -49.535 1.00 0.00 N ATOM 446 CA ASP A 33 27.440 4.905 -49.622 1.00 0.00 C ATOM 447 C ASP A 33 27.438 4.165 -50.973 1.00 0.00 C ATOM 448 O ASP A 33 27.487 4.804 -52.028 1.00 0.00 O ATOM 449 CB ASP A 33 26.068 5.564 -49.420 1.00 0.00 C ATOM 450 CG ASP A 33 25.974 6.351 -48.107 1.00 0.00 C ATOM 451 OD1 ASP A 33 25.929 5.708 -47.033 1.00 0.00 O ATOM 452 OD2 ASP A 33 25.947 7.605 -48.150 1.00 0.00 O ATOM 0 H ASP A 33 28.160 6.877 -49.591 1.00 0.00 H new ATOM 0 HA ASP A 33 27.636 4.176 -48.836 1.00 0.00 H new ATOM 0 HB2 ASP A 33 25.866 6.234 -50.255 1.00 0.00 H new ATOM 0 HB3 ASP A 33 25.295 4.795 -49.434 1.00 0.00 H new ATOM 457 N TYR A 34 27.308 2.833 -50.949 1.00 0.00 N ATOM 458 CA TYR A 34 27.414 1.960 -52.127 1.00 0.00 C ATOM 459 C TYR A 34 26.325 0.884 -52.181 1.00 0.00 C ATOM 460 O TYR A 34 26.020 0.232 -51.182 1.00 0.00 O ATOM 461 CB TYR A 34 28.770 1.257 -52.130 1.00 0.00 C ATOM 462 CG TYR A 34 29.054 0.483 -53.402 1.00 0.00 C ATOM 463 CD1 TYR A 34 29.342 1.156 -54.603 1.00 0.00 C ATOM 464 CD2 TYR A 34 28.962 -0.918 -53.393 1.00 0.00 C ATOM 465 CE1 TYR A 34 29.500 0.428 -55.798 1.00 0.00 C ATOM 466 CE2 TYR A 34 29.113 -1.654 -54.583 1.00 0.00 C ATOM 467 CZ TYR A 34 29.360 -0.977 -55.793 1.00 0.00 C ATOM 468 OH TYR A 34 29.423 -1.678 -56.956 1.00 0.00 O ATOM 0 H TYR A 34 27.121 2.318 -50.088 1.00 0.00 H new ATOM 0 HA TYR A 34 27.295 2.607 -52.996 1.00 0.00 H new ATOM 0 HB2 TYR A 34 29.554 2.000 -51.985 1.00 0.00 H new ATOM 0 HB3 TYR A 34 28.817 0.574 -51.282 1.00 0.00 H new ATOM 0 HD1 TYR A 34 29.442 2.231 -54.609 1.00 0.00 H new ATOM 0 HD2 TYR A 34 28.774 -1.436 -52.464 1.00 0.00 H new ATOM 0 HE1 TYR A 34 29.728 0.944 -56.719 1.00 0.00 H new ATOM 0 HE2 TYR A 34 29.040 -2.731 -54.568 1.00 0.00 H new ATOM 0 HH TYR A 34 30.361 -1.834 -57.194 1.00 0.00 H new ATOM 478 N GLU A 35 25.767 0.640 -53.368 1.00 0.00 N ATOM 479 CA GLU A 35 24.607 -0.219 -53.540 1.00 0.00 C ATOM 480 C GLU A 35 24.729 -1.136 -54.772 1.00 0.00 C ATOM 481 O GLU A 35 23.961 -1.023 -55.730 1.00 0.00 O ATOM 482 CB GLU A 35 23.355 0.667 -53.502 1.00 0.00 C ATOM 483 CG GLU A 35 22.213 -0.163 -52.941 1.00 0.00 C ATOM 484 CD GLU A 35 20.892 0.627 -52.916 1.00 0.00 C ATOM 485 OE1 GLU A 35 20.610 1.318 -51.906 1.00 0.00 O ATOM 486 OE2 GLU A 35 20.117 0.556 -53.902 1.00 0.00 O ATOM 0 H GLU A 35 26.114 1.039 -54.240 1.00 0.00 H new ATOM 0 HA GLU A 35 24.531 -0.934 -52.721 1.00 0.00 H new ATOM 0 HB2 GLU A 35 23.528 1.546 -52.882 1.00 0.00 H new ATOM 0 HB3 GLU A 35 23.111 1.026 -54.502 1.00 0.00 H new ATOM 0 HG2 GLU A 35 22.087 -1.063 -53.543 1.00 0.00 H new ATOM 0 HG3 GLU A 35 22.462 -0.488 -51.931 1.00 0.00 H new ATOM 493 N ALA A 36 25.741 -2.016 -54.736 1.00 0.00 N ATOM 494 CA ALA A 36 26.068 -3.053 -55.724 1.00 0.00 C ATOM 495 C ALA A 36 25.623 -2.765 -57.173 1.00 0.00 C ATOM 496 O ALA A 36 24.644 -3.329 -57.677 1.00 0.00 O ATOM 497 CB ALA A 36 25.601 -4.415 -55.196 1.00 0.00 C ATOM 0 H ALA A 36 26.400 -2.021 -53.958 1.00 0.00 H new ATOM 0 HA ALA A 36 27.153 -3.059 -55.827 1.00 0.00 H new ATOM 0 HB1 ALA A 36 25.841 -5.189 -55.925 1.00 0.00 H new ATOM 0 HB2 ALA A 36 26.106 -4.633 -54.255 1.00 0.00 H new ATOM 0 HB3 ALA A 36 24.524 -4.392 -55.032 1.00 0.00 H new ATOM 503 N ILE A 37 26.366 -1.869 -57.840 1.00 0.00 N ATOM 504 CA ILE A 37 26.093 -1.413 -59.217 1.00 0.00 C ATOM 505 C ILE A 37 25.968 -2.594 -60.207 1.00 0.00 C ATOM 506 O ILE A 37 25.148 -2.564 -61.129 1.00 0.00 O ATOM 507 CB ILE A 37 27.181 -0.405 -59.682 1.00 0.00 C ATOM 508 CG1 ILE A 37 27.215 0.853 -58.779 1.00 0.00 C ATOM 509 CG2 ILE A 37 26.984 0.021 -61.151 1.00 0.00 C ATOM 510 CD1 ILE A 37 28.306 1.865 -59.149 1.00 0.00 C ATOM 0 H ILE A 37 27.191 -1.430 -57.431 1.00 0.00 H new ATOM 0 HA ILE A 37 25.129 -0.904 -59.209 1.00 0.00 H new ATOM 0 HB ILE A 37 28.135 -0.926 -59.599 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.245 1.348 -58.828 1.00 0.00 H new ATOM 0 HG13 ILE A 37 27.361 0.540 -57.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.766 0.725 -61.434 1.00 0.00 H new ATOM 0 HG22 ILE A 37 27.037 -0.857 -61.795 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.010 0.496 -61.265 1.00 0.00 H new ATOM 0 HD11 ILE A 37 28.260 2.715 -58.468 1.00 0.00 H new ATOM 0 HD12 ILE A 37 29.284 1.390 -59.071 1.00 0.00 H new ATOM 0 HD13 ILE A 37 28.150 2.210 -60.171 1.00 0.00 H new ATOM 522 N HIS A 38 26.767 -3.644 -59.986 1.00 0.00 N ATOM 523 CA HIS A 38 26.837 -4.889 -60.768 1.00 0.00 C ATOM 524 C HIS A 38 26.935 -6.113 -59.825 1.00 0.00 C ATOM 525 O HIS A 38 26.978 -5.957 -58.602 1.00 0.00 O ATOM 526 CB HIS A 38 27.975 -4.760 -61.815 1.00 0.00 C ATOM 527 CG HIS A 38 29.203 -4.015 -61.336 1.00 0.00 C ATOM 528 ND1 HIS A 38 29.545 -2.703 -61.627 1.00 0.00 N ATOM 529 CD2 HIS A 38 30.122 -4.485 -60.447 1.00 0.00 C ATOM 530 CE1 HIS A 38 30.630 -2.379 -60.889 1.00 0.00 C ATOM 531 NE2 HIS A 38 31.003 -3.459 -60.171 1.00 0.00 N ATOM 0 H HIS A 38 27.425 -3.650 -59.207 1.00 0.00 H new ATOM 0 HA HIS A 38 25.922 -5.058 -61.336 1.00 0.00 H new ATOM 0 HB2 HIS A 38 28.274 -5.760 -62.129 1.00 0.00 H new ATOM 0 HB3 HIS A 38 27.582 -4.253 -62.696 1.00 0.00 H new ATOM 0 HD2 HIS A 38 30.155 -5.482 -60.032 1.00 0.00 H new ATOM 0 HE1 HIS A 38 31.118 -1.415 -60.876 1.00 0.00 H new ATOM 0 HE2 HIS A 38 31.798 -3.509 -59.534 1.00 0.00 H new ATOM 540 N HIS A 39 26.870 -7.332 -60.374 1.00 0.00 N ATOM 541 CA HIS A 39 26.727 -8.572 -59.588 1.00 0.00 C ATOM 542 C HIS A 39 27.952 -8.924 -58.714 1.00 0.00 C ATOM 543 O HIS A 39 29.076 -8.499 -58.983 1.00 0.00 O ATOM 544 CB HIS A 39 26.358 -9.738 -60.524 1.00 0.00 C ATOM 545 CG HIS A 39 27.449 -10.152 -61.485 1.00 0.00 C ATOM 546 ND1 HIS A 39 27.510 -9.856 -62.831 1.00 0.00 N ATOM 547 CD2 HIS A 39 28.539 -10.931 -61.196 1.00 0.00 C ATOM 548 CE1 HIS A 39 28.614 -10.431 -63.337 1.00 0.00 C ATOM 549 NE2 HIS A 39 29.279 -11.099 -62.375 1.00 0.00 N ATOM 0 H HIS A 39 26.915 -7.491 -61.381 1.00 0.00 H new ATOM 0 HA HIS A 39 25.922 -8.393 -58.876 1.00 0.00 H new ATOM 0 HB2 HIS A 39 26.083 -10.600 -59.916 1.00 0.00 H new ATOM 0 HB3 HIS A 39 25.475 -9.458 -61.098 1.00 0.00 H new ATOM 0 HD2 HIS A 39 28.785 -11.344 -60.229 1.00 0.00 H new ATOM 0 HE1 HIS A 39 28.924 -10.367 -64.369 1.00 0.00 H new ATOM 0 HE2 HIS A 39 30.148 -11.623 -62.483 1.00 0.00 H new ATOM 557 N GLU A 40 27.740 -9.780 -57.705 1.00 0.00 N ATOM 558 CA GLU A 40 28.735 -10.210 -56.707 1.00 0.00 C ATOM 559 C GLU A 40 29.482 -9.038 -56.037 1.00 0.00 C ATOM 560 O GLU A 40 30.707 -8.981 -56.060 1.00 0.00 O ATOM 561 CB GLU A 40 29.647 -11.320 -57.283 1.00 0.00 C ATOM 562 CG GLU A 40 30.116 -12.289 -56.195 1.00 0.00 C ATOM 563 CD GLU A 40 30.811 -13.536 -56.782 1.00 0.00 C ATOM 564 OE1 GLU A 40 31.681 -13.407 -57.678 1.00 0.00 O ATOM 565 OE2 GLU A 40 30.487 -14.668 -56.345 1.00 0.00 O ATOM 0 H GLU A 40 26.829 -10.213 -57.553 1.00 0.00 H new ATOM 0 HA GLU A 40 28.196 -10.662 -55.874 1.00 0.00 H new ATOM 0 HB2 GLU A 40 29.107 -11.871 -58.053 1.00 0.00 H new ATOM 0 HB3 GLU A 40 30.513 -10.866 -57.764 1.00 0.00 H new ATOM 0 HG2 GLU A 40 30.804 -11.774 -55.525 1.00 0.00 H new ATOM 0 HG3 GLU A 40 29.261 -12.601 -55.596 1.00 0.00 H new ATOM 572 N ASP A 41 28.761 -8.085 -55.437 1.00 0.00 N ATOM 573 CA ASP A 41 29.330 -7.017 -54.624 1.00 0.00 C ATOM 574 C ASP A 41 28.466 -6.824 -53.395 1.00 0.00 C ATOM 575 O ASP A 41 27.245 -7.020 -53.396 1.00 0.00 O ATOM 576 CB ASP A 41 29.436 -5.683 -55.373 1.00 0.00 C ATOM 577 CG ASP A 41 30.484 -5.720 -56.485 1.00 0.00 C ATOM 578 OD1 ASP A 41 31.694 -5.902 -56.223 1.00 0.00 O ATOM 579 OD2 ASP A 41 30.106 -5.614 -57.670 1.00 0.00 O ATOM 0 H ASP A 41 27.745 -8.038 -55.508 1.00 0.00 H new ATOM 0 HA ASP A 41 30.343 -7.318 -54.357 1.00 0.00 H new ATOM 0 HB2 ASP A 41 28.465 -5.432 -55.801 1.00 0.00 H new ATOM 0 HB3 ASP A 41 29.688 -4.892 -54.667 1.00 0.00 H new ATOM 584 N LEU A 42 29.147 -6.432 -52.335 1.00 0.00 N ATOM 585 CA LEU A 42 28.534 -5.912 -51.145 1.00 0.00 C ATOM 586 C LEU A 42 27.885 -4.562 -51.448 1.00 0.00 C ATOM 587 O LEU A 42 28.410 -3.770 -52.227 1.00 0.00 O ATOM 588 CB LEU A 42 29.640 -5.753 -50.087 1.00 0.00 C ATOM 589 CG LEU A 42 29.353 -6.361 -48.725 1.00 0.00 C ATOM 590 CD1 LEU A 42 30.330 -5.897 -47.654 1.00 0.00 C ATOM 591 CD2 LEU A 42 27.922 -6.343 -48.230 1.00 0.00 C ATOM 0 H LEU A 42 30.165 -6.470 -52.284 1.00 0.00 H new ATOM 0 HA LEU A 42 27.758 -6.584 -50.780 1.00 0.00 H new ATOM 0 HB2 LEU A 42 30.555 -6.200 -50.477 1.00 0.00 H new ATOM 0 HB3 LEU A 42 29.837 -4.689 -49.953 1.00 0.00 H new ATOM 0 HG LEU A 42 29.522 -7.420 -48.923 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.076 -6.364 -46.703 1.00 0.00 H new ATOM 0 HD12 LEU A 42 31.343 -6.181 -47.938 1.00 0.00 H new ATOM 0 HD13 LEU A 42 30.272 -4.813 -47.553 1.00 0.00 H new ATOM 0 HD21 LEU A 42 27.871 -6.810 -47.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.574 -5.312 -48.160 1.00 0.00 H new ATOM 0 HD23 LEU A 42 27.289 -6.893 -48.926 1.00 0.00 H new ATOM 603 N SER A 43 26.802 -4.269 -50.744 1.00 0.00 N ATOM 604 CA SER A 43 26.253 -2.927 -50.602 1.00 0.00 C ATOM 605 C SER A 43 26.426 -2.486 -49.153 1.00 0.00 C ATOM 606 O SER A 43 25.866 -3.076 -48.225 1.00 0.00 O ATOM 607 CB SER A 43 24.764 -2.947 -50.936 1.00 0.00 C ATOM 608 OG SER A 43 24.536 -3.299 -52.286 1.00 0.00 O ATOM 0 H SER A 43 26.266 -4.977 -50.242 1.00 0.00 H new ATOM 0 HA SER A 43 26.768 -2.242 -51.275 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.254 -3.656 -50.284 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.333 -1.965 -50.738 1.00 0.00 H new ATOM 0 HG SER A 43 23.572 -3.304 -52.465 1.00 0.00 H new ATOM 614 N PHE A 44 27.226 -1.446 -48.980 1.00 0.00 N ATOM 615 CA PHE A 44 27.600 -0.848 -47.697 1.00 0.00 C ATOM 616 C PHE A 44 27.223 0.639 -47.634 1.00 0.00 C ATOM 617 O PHE A 44 26.771 1.240 -48.608 1.00 0.00 O ATOM 618 CB PHE A 44 29.094 -1.065 -47.459 1.00 0.00 C ATOM 619 CG PHE A 44 29.970 -0.585 -48.593 1.00 0.00 C ATOM 620 CD1 PHE A 44 30.379 0.762 -48.651 1.00 0.00 C ATOM 621 CD2 PHE A 44 30.318 -1.479 -49.622 1.00 0.00 C ATOM 622 CE1 PHE A 44 31.183 1.201 -49.723 1.00 0.00 C ATOM 623 CE2 PHE A 44 31.102 -1.031 -50.694 1.00 0.00 C ATOM 624 CZ PHE A 44 31.543 0.303 -50.741 1.00 0.00 C ATOM 0 H PHE A 44 27.658 -0.967 -49.770 1.00 0.00 H new ATOM 0 HA PHE A 44 27.041 -1.338 -46.900 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.385 -0.549 -46.544 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.276 -2.127 -47.297 1.00 0.00 H new ATOM 0 HD1 PHE A 44 30.078 1.454 -47.879 1.00 0.00 H new ATOM 0 HD2 PHE A 44 29.983 -2.505 -49.586 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.521 2.226 -49.761 1.00 0.00 H new ATOM 0 HE2 PHE A 44 31.368 -1.714 -51.487 1.00 0.00 H new ATOM 0 HZ PHE A 44 32.160 0.638 -51.562 1.00 0.00 H new ATOM 634 N GLN A 45 27.438 1.271 -46.485 1.00 0.00 N ATOM 635 CA GLN A 45 27.134 2.686 -46.280 1.00 0.00 C ATOM 636 C GLN A 45 28.356 3.434 -45.797 1.00 0.00 C ATOM 637 O GLN A 45 29.243 2.836 -45.199 1.00 0.00 O ATOM 638 CB GLN A 45 25.980 2.827 -45.293 1.00 0.00 C ATOM 639 CG GLN A 45 24.689 2.554 -46.065 1.00 0.00 C ATOM 640 CD GLN A 45 23.448 2.764 -45.205 1.00 0.00 C ATOM 641 OE1 GLN A 45 23.166 2.024 -44.271 1.00 0.00 O ATOM 642 NE2 GLN A 45 22.656 3.779 -45.481 1.00 0.00 N ATOM 0 H GLN A 45 27.831 0.814 -45.662 1.00 0.00 H new ATOM 0 HA GLN A 45 26.835 3.125 -47.232 1.00 0.00 H new ATOM 0 HB2 GLN A 45 26.091 2.123 -44.468 1.00 0.00 H new ATOM 0 HB3 GLN A 45 25.965 3.827 -44.859 1.00 0.00 H new ATOM 0 HG2 GLN A 45 24.642 3.210 -46.934 1.00 0.00 H new ATOM 0 HG3 GLN A 45 24.701 1.530 -46.439 1.00 0.00 H new ATOM 0 HE21 GLN A 45 22.879 4.404 -46.256 1.00 0.00 H new ATOM 0 HE22 GLN A 45 21.820 3.941 -44.920 1.00 0.00 H new ATOM 651 N LYS A 46 28.396 4.743 -46.033 1.00 0.00 N ATOM 652 CA LYS A 46 29.458 5.617 -45.550 1.00 0.00 C ATOM 653 C LYS A 46 29.626 5.443 -44.051 1.00 0.00 C ATOM 654 O LYS A 46 28.680 5.622 -43.278 1.00 0.00 O ATOM 655 CB LYS A 46 29.146 7.065 -45.924 1.00 0.00 C ATOM 656 CG LYS A 46 30.193 8.016 -45.323 1.00 0.00 C ATOM 657 CD LYS A 46 30.149 9.427 -45.916 1.00 0.00 C ATOM 658 CE LYS A 46 31.359 10.204 -45.372 1.00 0.00 C ATOM 659 NZ LYS A 46 31.878 11.186 -46.361 1.00 0.00 N ATOM 0 H LYS A 46 27.681 5.232 -46.572 1.00 0.00 H new ATOM 0 HA LYS A 46 30.403 5.348 -46.022 1.00 0.00 H new ATOM 0 HB2 LYS A 46 29.131 7.171 -47.009 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.153 7.334 -45.563 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.039 8.078 -44.246 1.00 0.00 H new ATOM 0 HG3 LYS A 46 31.186 7.596 -45.480 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.180 9.385 -47.005 1.00 0.00 H new ATOM 0 HD3 LYS A 46 29.220 9.927 -45.643 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.075 10.725 -44.458 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.151 9.503 -45.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.693 11.689 -45.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.173 10.686 -47.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 31.131 11.870 -46.596 1.00 0.00 H new ATOM 673 N GLY A 47 30.841 5.071 -43.664 1.00 0.00 N ATOM 674 CA GLY A 47 31.162 4.831 -42.269 1.00 0.00 C ATOM 675 C GLY A 47 30.867 3.398 -41.793 1.00 0.00 C ATOM 676 O GLY A 47 31.010 3.109 -40.606 1.00 0.00 O ATOM 0 H GLY A 47 31.622 4.929 -44.304 1.00 0.00 H new ATOM 0 HA2 GLY A 47 32.219 5.045 -42.109 1.00 0.00 H new ATOM 0 HA3 GLY A 47 30.598 5.530 -41.652 1.00 0.00 H new ATOM 680 N ASP A 48 30.490 2.486 -42.699 1.00 0.00 N ATOM 681 CA ASP A 48 30.565 1.042 -42.476 1.00 0.00 C ATOM 682 C ASP A 48 32.031 0.671 -42.480 1.00 0.00 C ATOM 683 O ASP A 48 32.716 0.788 -43.499 1.00 0.00 O ATOM 684 CB ASP A 48 29.875 0.231 -43.590 1.00 0.00 C ATOM 685 CG ASP A 48 29.662 -1.247 -43.221 1.00 0.00 C ATOM 686 OD1 ASP A 48 29.379 -1.555 -42.039 1.00 0.00 O ATOM 687 OD2 ASP A 48 29.717 -2.094 -44.142 1.00 0.00 O ATOM 0 H ASP A 48 30.121 2.736 -43.616 1.00 0.00 H new ATOM 0 HA ASP A 48 30.062 0.812 -41.537 1.00 0.00 H new ATOM 0 HB2 ASP A 48 28.910 0.685 -43.816 1.00 0.00 H new ATOM 0 HB3 ASP A 48 30.475 0.289 -44.498 1.00 0.00 H new ATOM 692 N GLN A 49 32.529 0.228 -41.340 1.00 0.00 N ATOM 693 CA GLN A 49 33.751 -0.512 -41.346 1.00 0.00 C ATOM 694 C GLN A 49 33.511 -1.907 -41.882 1.00 0.00 C ATOM 695 O GLN A 49 32.461 -2.515 -41.691 1.00 0.00 O ATOM 696 CB GLN A 49 34.396 -0.501 -39.983 1.00 0.00 C ATOM 697 CG GLN A 49 35.280 0.744 -39.829 1.00 0.00 C ATOM 698 CD GLN A 49 34.822 1.684 -38.736 1.00 0.00 C ATOM 699 OE1 GLN A 49 33.712 2.195 -38.721 1.00 0.00 O ATOM 700 NE2 GLN A 49 35.684 1.993 -37.802 1.00 0.00 N ATOM 0 H GLN A 49 32.107 0.370 -40.422 1.00 0.00 H new ATOM 0 HA GLN A 49 34.462 -0.031 -42.018 1.00 0.00 H new ATOM 0 HB2 GLN A 49 33.629 -0.510 -39.209 1.00 0.00 H new ATOM 0 HB3 GLN A 49 34.995 -1.401 -39.848 1.00 0.00 H new ATOM 0 HG2 GLN A 49 36.302 0.429 -39.620 1.00 0.00 H new ATOM 0 HG3 GLN A 49 35.300 1.284 -40.776 1.00 0.00 H new ATOM 0 HE21 GLN A 49 36.613 1.572 -37.806 1.00 0.00 H new ATOM 0 HE22 GLN A 49 35.427 2.655 -37.070 1.00 0.00 H new ATOM 709 N MET A 50 34.531 -2.416 -42.542 1.00 0.00 N ATOM 710 CA MET A 50 34.537 -3.731 -43.148 1.00 0.00 C ATOM 711 C MET A 50 35.905 -4.366 -42.962 1.00 0.00 C ATOM 712 O MET A 50 36.932 -3.737 -43.207 1.00 0.00 O ATOM 713 CB MET A 50 34.209 -3.664 -44.643 1.00 0.00 C ATOM 714 CG MET A 50 32.881 -2.972 -44.984 1.00 0.00 C ATOM 715 SD MET A 50 32.588 -2.722 -46.753 1.00 0.00 S ATOM 716 CE MET A 50 33.116 -0.996 -46.905 1.00 0.00 C ATOM 0 H MET A 50 35.406 -1.909 -42.675 1.00 0.00 H new ATOM 0 HA MET A 50 33.770 -4.332 -42.659 1.00 0.00 H new ATOM 0 HB2 MET A 50 35.017 -3.140 -45.154 1.00 0.00 H new ATOM 0 HB3 MET A 50 34.186 -4.679 -45.041 1.00 0.00 H new ATOM 0 HG2 MET A 50 32.063 -3.565 -44.575 1.00 0.00 H new ATOM 0 HG3 MET A 50 32.854 -2.003 -44.485 1.00 0.00 H new ATOM 0 HE1 MET A 50 32.840 -0.616 -47.889 1.00 0.00 H new ATOM 0 HE2 MET A 50 32.629 -0.397 -46.135 1.00 0.00 H new ATOM 0 HE3 MET A 50 34.197 -0.934 -46.783 1.00 0.00 H new ATOM 726 N VAL A 51 35.903 -5.630 -42.564 1.00 0.00 N ATOM 727 CA VAL A 51 37.091 -6.483 -42.593 1.00 0.00 C ATOM 728 C VAL A 51 37.313 -6.918 -44.040 1.00 0.00 C ATOM 729 O VAL A 51 36.590 -7.771 -44.549 1.00 0.00 O ATOM 730 CB VAL A 51 36.903 -7.735 -41.708 1.00 0.00 C ATOM 731 CG1 VAL A 51 38.109 -8.670 -41.784 1.00 0.00 C ATOM 732 CG2 VAL A 51 36.680 -7.402 -40.234 1.00 0.00 C ATOM 0 H VAL A 51 35.071 -6.100 -42.208 1.00 0.00 H new ATOM 0 HA VAL A 51 37.946 -5.927 -42.208 1.00 0.00 H new ATOM 0 HB VAL A 51 36.012 -8.220 -42.107 1.00 0.00 H new ATOM 0 HG11 VAL A 51 37.937 -9.538 -41.148 1.00 0.00 H new ATOM 0 HG12 VAL A 51 38.251 -8.998 -42.814 1.00 0.00 H new ATOM 0 HG13 VAL A 51 39.000 -8.142 -41.445 1.00 0.00 H new ATOM 0 HG21 VAL A 51 36.555 -8.325 -39.667 1.00 0.00 H new ATOM 0 HG22 VAL A 51 37.541 -6.854 -39.850 1.00 0.00 H new ATOM 0 HG23 VAL A 51 35.785 -6.789 -40.131 1.00 0.00 H new ATOM 742 N VAL A 52 38.279 -6.323 -44.725 1.00 0.00 N ATOM 743 CA VAL A 52 38.792 -6.802 -46.017 1.00 0.00 C ATOM 744 C VAL A 52 39.488 -8.160 -45.831 1.00 0.00 C ATOM 745 O VAL A 52 40.206 -8.384 -44.854 1.00 0.00 O ATOM 746 CB VAL A 52 39.716 -5.729 -46.614 1.00 0.00 C ATOM 747 CG1 VAL A 52 40.623 -6.196 -47.755 1.00 0.00 C ATOM 748 CG2 VAL A 52 38.909 -4.513 -47.071 1.00 0.00 C ATOM 0 H VAL A 52 38.743 -5.475 -44.398 1.00 0.00 H new ATOM 0 HA VAL A 52 37.978 -6.964 -46.723 1.00 0.00 H new ATOM 0 HB VAL A 52 40.386 -5.469 -45.795 1.00 0.00 H new ATOM 0 HG11 VAL A 52 41.232 -5.361 -48.101 1.00 0.00 H new ATOM 0 HG12 VAL A 52 41.273 -6.995 -47.399 1.00 0.00 H new ATOM 0 HG13 VAL A 52 40.011 -6.565 -48.578 1.00 0.00 H new ATOM 0 HG21 VAL A 52 39.583 -3.766 -47.490 1.00 0.00 H new ATOM 0 HG22 VAL A 52 38.189 -4.819 -47.830 1.00 0.00 H new ATOM 0 HG23 VAL A 52 38.379 -4.087 -46.219 1.00 0.00 H new ATOM 758 N LEU A 53 39.256 -9.064 -46.786 1.00 0.00 N ATOM 759 CA LEU A 53 39.624 -10.484 -46.775 1.00 0.00 C ATOM 760 C LEU A 53 40.550 -10.832 -47.951 1.00 0.00 C ATOM 761 O LEU A 53 41.509 -11.581 -47.764 1.00 0.00 O ATOM 762 CB LEU A 53 38.357 -11.362 -46.881 1.00 0.00 C ATOM 763 CG LEU A 53 37.234 -11.075 -45.866 1.00 0.00 C ATOM 764 CD1 LEU A 53 35.992 -11.920 -46.143 1.00 0.00 C ATOM 765 CD2 LEU A 53 37.683 -11.355 -44.433 1.00 0.00 C ATOM 0 H LEU A 53 38.773 -8.807 -47.647 1.00 0.00 H new ATOM 0 HA LEU A 53 40.146 -10.677 -45.838 1.00 0.00 H new ATOM 0 HB2 LEU A 53 37.947 -11.249 -47.884 1.00 0.00 H new ATOM 0 HB3 LEU A 53 38.655 -12.405 -46.774 1.00 0.00 H new ATOM 0 HG LEU A 53 36.994 -10.018 -45.978 1.00 0.00 H new ATOM 0 HD11 LEU A 53 35.223 -11.689 -45.406 1.00 0.00 H new ATOM 0 HD12 LEU A 53 35.616 -11.698 -47.142 1.00 0.00 H new ATOM 0 HD13 LEU A 53 36.250 -12.977 -46.079 1.00 0.00 H new ATOM 0 HD21 LEU A 53 36.864 -11.141 -43.747 1.00 0.00 H new ATOM 0 HD22 LEU A 53 37.970 -12.402 -44.340 1.00 0.00 H new ATOM 0 HD23 LEU A 53 38.536 -10.722 -44.189 1.00 0.00 H new ATOM 777 N GLU A 54 40.309 -10.252 -49.137 1.00 0.00 N ATOM 778 CA GLU A 54 41.255 -10.294 -50.255 1.00 0.00 C ATOM 779 C GLU A 54 41.455 -8.909 -50.874 1.00 0.00 C ATOM 780 O GLU A 54 40.508 -8.142 -51.025 1.00 0.00 O ATOM 781 CB GLU A 54 40.802 -11.279 -51.342 1.00 0.00 C ATOM 782 CG GLU A 54 41.011 -12.754 -50.980 1.00 0.00 C ATOM 783 CD GLU A 54 42.482 -13.151 -50.717 1.00 0.00 C ATOM 784 OE1 GLU A 54 43.418 -12.461 -51.191 1.00 0.00 O ATOM 785 OE2 GLU A 54 42.712 -14.198 -50.061 1.00 0.00 O ATOM 0 H GLU A 54 39.451 -9.741 -49.345 1.00 0.00 H new ATOM 0 HA GLU A 54 42.205 -10.637 -49.845 1.00 0.00 H new ATOM 0 HB2 GLU A 54 39.745 -11.114 -51.549 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.344 -11.062 -52.262 1.00 0.00 H new ATOM 0 HG2 GLU A 54 40.422 -12.983 -50.092 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.621 -13.372 -51.789 1.00 0.00 H new ATOM 792 N GLU A 55 42.694 -8.627 -51.268 1.00 0.00 N ATOM 793 CA GLU A 55 43.195 -7.338 -51.773 1.00 0.00 C ATOM 794 C GLU A 55 44.255 -7.650 -52.846 1.00 0.00 C ATOM 795 O GLU A 55 45.428 -7.890 -52.544 1.00 0.00 O ATOM 796 CB GLU A 55 43.726 -6.490 -50.596 1.00 0.00 C ATOM 797 CG GLU A 55 44.526 -5.225 -50.946 1.00 0.00 C ATOM 798 CD GLU A 55 45.308 -4.705 -49.720 1.00 0.00 C ATOM 799 OE1 GLU A 55 44.756 -3.940 -48.890 1.00 0.00 O ATOM 800 OE2 GLU A 55 46.509 -5.045 -49.580 1.00 0.00 O ATOM 0 H GLU A 55 43.428 -9.335 -51.244 1.00 0.00 H new ATOM 0 HA GLU A 55 42.411 -6.738 -52.236 1.00 0.00 H new ATOM 0 HB2 GLU A 55 42.875 -6.193 -49.983 1.00 0.00 H new ATOM 0 HB3 GLU A 55 44.357 -7.128 -49.977 1.00 0.00 H new ATOM 0 HG2 GLU A 55 45.220 -5.443 -51.758 1.00 0.00 H new ATOM 0 HG3 GLU A 55 43.849 -4.450 -51.305 1.00 0.00 H new ATOM 807 N SER A 56 43.809 -7.746 -54.105 1.00 0.00 N ATOM 808 CA SER A 56 44.623 -8.220 -55.244 1.00 0.00 C ATOM 809 C SER A 56 44.276 -7.522 -56.572 1.00 0.00 C ATOM 810 O SER A 56 44.500 -8.061 -57.660 1.00 0.00 O ATOM 811 CB SER A 56 44.451 -9.741 -55.376 1.00 0.00 C ATOM 812 OG SER A 56 45.474 -10.311 -56.179 1.00 0.00 O ATOM 0 H SER A 56 42.857 -7.494 -54.371 1.00 0.00 H new ATOM 0 HA SER A 56 45.663 -7.967 -55.036 1.00 0.00 H new ATOM 0 HB2 SER A 56 44.467 -10.198 -54.386 1.00 0.00 H new ATOM 0 HB3 SER A 56 43.477 -9.962 -55.814 1.00 0.00 H new ATOM 0 HG SER A 56 45.568 -9.793 -57.006 1.00 0.00 H new ATOM 818 N GLY A 57 43.670 -6.340 -56.484 1.00 0.00 N ATOM 819 CA GLY A 57 43.057 -5.622 -57.598 1.00 0.00 C ATOM 820 C GLY A 57 42.358 -4.351 -57.109 1.00 0.00 C ATOM 821 O GLY A 57 42.473 -3.986 -55.936 1.00 0.00 O ATOM 0 H GLY A 57 43.590 -5.837 -55.600 1.00 0.00 H new ATOM 0 HA2 GLY A 57 43.819 -5.363 -58.333 1.00 0.00 H new ATOM 0 HA3 GLY A 57 42.337 -6.268 -58.100 1.00 0.00 H new ATOM 825 N GLU A 58 41.629 -3.665 -57.991 1.00 0.00 N ATOM 826 CA GLU A 58 40.881 -2.453 -57.614 1.00 0.00 C ATOM 827 C GLU A 58 39.614 -2.750 -56.787 1.00 0.00 C ATOM 828 O GLU A 58 39.068 -1.845 -56.152 1.00 0.00 O ATOM 829 CB GLU A 58 40.545 -1.604 -58.849 1.00 0.00 C ATOM 830 CG GLU A 58 41.777 -1.297 -59.713 1.00 0.00 C ATOM 831 CD GLU A 58 41.528 -0.143 -60.705 1.00 0.00 C ATOM 832 OE1 GLU A 58 40.615 -0.240 -61.561 1.00 0.00 O ATOM 833 OE2 GLU A 58 42.275 0.867 -60.654 1.00 0.00 O ATOM 0 H GLU A 58 41.537 -3.924 -58.973 1.00 0.00 H new ATOM 0 HA GLU A 58 41.542 -1.879 -56.964 1.00 0.00 H new ATOM 0 HB2 GLU A 58 39.804 -2.127 -59.453 1.00 0.00 H new ATOM 0 HB3 GLU A 58 40.090 -0.667 -58.527 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.616 -1.041 -59.066 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.062 -2.192 -60.266 1.00 0.00 H new ATOM 840 N TRP A 59 39.179 -4.011 -56.721 1.00 0.00 N ATOM 841 CA TRP A 59 38.064 -4.471 -55.893 1.00 0.00 C ATOM 842 C TRP A 59 38.542 -5.533 -54.908 1.00 0.00 C ATOM 843 O TRP A 59 39.316 -6.429 -55.251 1.00 0.00 O ATOM 844 CB TRP A 59 36.926 -5.022 -56.760 1.00 0.00 C ATOM 845 CG TRP A 59 36.323 -4.048 -57.719 1.00 0.00 C ATOM 846 CD1 TRP A 59 36.915 -3.627 -58.860 1.00 0.00 C ATOM 847 CD2 TRP A 59 35.027 -3.367 -57.652 1.00 0.00 C ATOM 848 NE1 TRP A 59 36.087 -2.736 -59.505 1.00 0.00 N ATOM 849 CE2 TRP A 59 34.908 -2.547 -58.818 1.00 0.00 C ATOM 850 CE3 TRP A 59 33.937 -3.359 -56.744 1.00 0.00 C ATOM 851 CZ2 TRP A 59 33.771 -1.772 -59.085 1.00 0.00 C ATOM 852 CZ3 TRP A 59 32.789 -2.586 -57.015 1.00 0.00 C ATOM 853 CH2 TRP A 59 32.705 -1.798 -58.174 1.00 0.00 C ATOM 0 H TRP A 59 39.608 -4.763 -57.260 1.00 0.00 H new ATOM 0 HA TRP A 59 37.680 -3.618 -55.334 1.00 0.00 H new ATOM 0 HB2 TRP A 59 37.302 -5.876 -57.324 1.00 0.00 H new ATOM 0 HB3 TRP A 59 36.139 -5.395 -56.104 1.00 0.00 H new ATOM 0 HD1 TRP A 59 37.887 -3.941 -59.211 1.00 0.00 H new ATOM 0 HE1 TRP A 59 36.318 -2.273 -60.384 1.00 0.00 H new ATOM 0 HE3 TRP A 59 33.987 -3.948 -55.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 33.717 -1.165 -59.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 31.962 -2.600 -56.321 1.00 0.00 H new ATOM 0 HH2 TRP A 59 31.818 -1.211 -58.364 1.00 0.00 H new ATOM 864 N TRP A 60 38.070 -5.438 -53.671 1.00 0.00 N ATOM 865 CA TRP A 60 38.524 -6.244 -52.538 1.00 0.00 C ATOM 866 C TRP A 60 37.362 -7.043 -51.962 1.00 0.00 C ATOM 867 O TRP A 60 36.266 -6.508 -51.840 1.00 0.00 O ATOM 868 CB TRP A 60 39.089 -5.297 -51.474 1.00 0.00 C ATOM 869 CG TRP A 60 40.239 -4.416 -51.858 1.00 0.00 C ATOM 870 CD1 TRP A 60 41.036 -4.511 -52.950 1.00 0.00 C ATOM 871 CD2 TRP A 60 40.745 -3.273 -51.114 1.00 0.00 C ATOM 872 NE1 TRP A 60 41.963 -3.497 -52.949 1.00 0.00 N ATOM 873 CE2 TRP A 60 41.861 -2.725 -51.817 1.00 0.00 C ATOM 874 CE3 TRP A 60 40.361 -2.647 -49.911 1.00 0.00 C ATOM 875 CZ2 TRP A 60 42.561 -1.604 -51.360 1.00 0.00 C ATOM 876 CZ3 TRP A 60 41.109 -1.568 -49.409 1.00 0.00 C ATOM 877 CH2 TRP A 60 42.169 -1.028 -50.144 1.00 0.00 C ATOM 0 H TRP A 60 37.336 -4.776 -53.418 1.00 0.00 H new ATOM 0 HA TRP A 60 39.292 -6.946 -52.863 1.00 0.00 H new ATOM 0 HB2 TRP A 60 38.277 -4.656 -51.132 1.00 0.00 H new ATOM 0 HB3 TRP A 60 39.400 -5.900 -50.621 1.00 0.00 H new ATOM 0 HD1 TRP A 60 40.954 -5.273 -53.711 1.00 0.00 H new ATOM 0 HE1 TRP A 60 42.641 -3.338 -53.694 1.00 0.00 H new ATOM 0 HE3 TRP A 60 39.491 -2.997 -49.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 43.382 -1.193 -51.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 40.862 -1.151 -48.444 1.00 0.00 H new ATOM 0 HH2 TRP A 60 42.690 -0.159 -49.771 1.00 0.00 H new ATOM 888 N LYS A 61 37.557 -8.309 -51.580 1.00 0.00 N ATOM 889 CA LYS A 61 36.520 -9.015 -50.801 1.00 0.00 C ATOM 890 C LYS A 61 36.510 -8.437 -49.389 1.00 0.00 C ATOM 891 O LYS A 61 37.582 -8.290 -48.813 1.00 0.00 O ATOM 892 CB LYS A 61 36.760 -10.532 -50.781 1.00 0.00 C ATOM 893 CG LYS A 61 35.446 -11.263 -50.449 1.00 0.00 C ATOM 894 CD LYS A 61 35.709 -12.687 -49.956 1.00 0.00 C ATOM 895 CE LYS A 61 34.390 -13.461 -49.805 1.00 0.00 C ATOM 896 NZ LYS A 61 34.622 -14.869 -49.374 1.00 0.00 N ATOM 0 H LYS A 61 38.393 -8.856 -51.786 1.00 0.00 H new ATOM 0 HA LYS A 61 35.547 -8.866 -51.270 1.00 0.00 H new ATOM 0 HB2 LYS A 61 37.136 -10.863 -51.749 1.00 0.00 H new ATOM 0 HB3 LYS A 61 37.522 -10.779 -50.041 1.00 0.00 H new ATOM 0 HG2 LYS A 61 34.901 -10.707 -49.686 1.00 0.00 H new ATOM 0 HG3 LYS A 61 34.811 -11.294 -51.335 1.00 0.00 H new ATOM 0 HD2 LYS A 61 36.362 -13.205 -50.658 1.00 0.00 H new ATOM 0 HD3 LYS A 61 36.230 -12.656 -48.999 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.754 -12.958 -49.077 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.854 -13.455 -50.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.709 -15.359 -49.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 35.208 -15.357 -50.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 35.111 -14.875 -48.456 1.00 0.00 H new ATOM 910 N ALA A 62 35.350 -8.151 -48.809 1.00 0.00 N ATOM 911 CA ALA A 62 35.240 -7.673 -47.433 1.00 0.00 C ATOM 912 C ALA A 62 33.946 -8.127 -46.740 1.00 0.00 C ATOM 913 O ALA A 62 32.998 -8.584 -47.382 1.00 0.00 O ATOM 914 CB ALA A 62 35.357 -6.141 -47.439 1.00 0.00 C ATOM 0 H ALA A 62 34.452 -8.245 -49.283 1.00 0.00 H new ATOM 0 HA ALA A 62 36.051 -8.113 -46.852 1.00 0.00 H new ATOM 0 HB1 ALA A 62 35.277 -5.766 -46.419 1.00 0.00 H new ATOM 0 HB2 ALA A 62 36.321 -5.851 -47.858 1.00 0.00 H new ATOM 0 HB3 ALA A 62 34.556 -5.717 -48.045 1.00 0.00 H new ATOM 920 N ARG A 63 33.901 -7.941 -45.416 1.00 0.00 N ATOM 921 CA ARG A 63 32.719 -8.144 -44.572 1.00 0.00 C ATOM 922 C ARG A 63 32.420 -6.907 -43.741 1.00 0.00 C ATOM 923 O ARG A 63 33.257 -6.524 -42.934 1.00 0.00 O ATOM 924 CB ARG A 63 32.962 -9.377 -43.684 1.00 0.00 C ATOM 925 CG ARG A 63 31.929 -9.582 -42.551 1.00 0.00 C ATOM 926 CD ARG A 63 32.575 -9.515 -41.162 1.00 0.00 C ATOM 927 NE ARG A 63 33.531 -10.625 -40.958 1.00 0.00 N ATOM 928 CZ ARG A 63 34.148 -10.954 -39.835 1.00 0.00 C ATOM 929 NH1 ARG A 63 33.964 -10.296 -38.725 1.00 0.00 N ATOM 930 NH2 ARG A 63 34.968 -11.963 -39.804 1.00 0.00 N ATOM 0 H ARG A 63 34.716 -7.634 -44.884 1.00 0.00 H new ATOM 0 HA ARG A 63 31.843 -8.316 -45.198 1.00 0.00 H new ATOM 0 HB2 ARG A 63 32.967 -10.265 -44.316 1.00 0.00 H new ATOM 0 HB3 ARG A 63 33.954 -9.296 -43.240 1.00 0.00 H new ATOM 0 HG2 ARG A 63 31.153 -8.820 -42.626 1.00 0.00 H new ATOM 0 HG3 ARG A 63 31.441 -10.548 -42.677 1.00 0.00 H new ATOM 0 HD2 ARG A 63 33.091 -8.562 -41.044 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.800 -9.555 -40.396 1.00 0.00 H new ATOM 0 HE ARG A 63 33.738 -11.201 -41.774 1.00 0.00 H new ATOM 0 HH11 ARG A 63 33.327 -9.499 -38.704 1.00 0.00 H new ATOM 0 HH12 ARG A 63 34.457 -10.578 -37.877 1.00 0.00 H new ATOM 0 HH21 ARG A 63 35.139 -12.507 -40.650 1.00 0.00 H new ATOM 0 HH22 ARG A 63 35.440 -12.210 -38.934 1.00 0.00 H new ATOM 944 N SER A 64 31.221 -6.346 -43.875 1.00 0.00 N ATOM 945 CA SER A 64 30.635 -5.322 -43.005 1.00 0.00 C ATOM 946 C SER A 64 30.748 -5.715 -41.550 1.00 0.00 C ATOM 947 O SER A 64 30.059 -6.602 -41.064 1.00 0.00 O ATOM 948 CB SER A 64 29.177 -5.077 -43.384 1.00 0.00 C ATOM 949 OG SER A 64 29.090 -4.539 -44.682 1.00 0.00 O ATOM 0 H SER A 64 30.594 -6.607 -44.636 1.00 0.00 H new ATOM 0 HA SER A 64 31.193 -4.396 -43.145 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.620 -6.012 -43.333 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.719 -4.394 -42.669 1.00 0.00 H new ATOM 0 HG SER A 64 29.647 -3.735 -44.741 1.00 0.00 H new ATOM 955 N LEU A 65 31.651 -5.051 -40.851 1.00 0.00 N ATOM 956 CA LEU A 65 32.084 -5.357 -39.496 1.00 0.00 C ATOM 957 C LEU A 65 31.030 -4.900 -38.461 1.00 0.00 C ATOM 958 O LEU A 65 31.067 -5.302 -37.299 1.00 0.00 O ATOM 959 CB LEU A 65 33.478 -4.700 -39.399 1.00 0.00 C ATOM 960 CG LEU A 65 34.417 -5.054 -38.237 1.00 0.00 C ATOM 961 CD1 LEU A 65 34.332 -3.985 -37.159 1.00 0.00 C ATOM 962 CD2 LEU A 65 34.219 -6.469 -37.692 1.00 0.00 C ATOM 0 H LEU A 65 32.130 -4.236 -41.235 1.00 0.00 H new ATOM 0 HA LEU A 65 32.171 -6.420 -39.269 1.00 0.00 H new ATOM 0 HB2 LEU A 65 34.008 -4.927 -40.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.326 -3.621 -39.375 1.00 0.00 H new ATOM 0 HG LEU A 65 35.433 -5.065 -38.630 1.00 0.00 H new ATOM 0 HD11 LEU A 65 35.001 -4.243 -36.338 1.00 0.00 H new ATOM 0 HD12 LEU A 65 34.625 -3.022 -37.577 1.00 0.00 H new ATOM 0 HD13 LEU A 65 33.309 -3.923 -36.788 1.00 0.00 H new ATOM 0 HD21 LEU A 65 34.918 -6.645 -36.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 33.198 -6.579 -37.327 1.00 0.00 H new ATOM 0 HD23 LEU A 65 34.400 -7.193 -38.486 1.00 0.00 H new ATOM 974 N ALA A 66 30.033 -4.127 -38.915 1.00 0.00 N ATOM 975 CA ALA A 66 28.863 -3.732 -38.130 1.00 0.00 C ATOM 976 C ALA A 66 27.665 -4.711 -38.225 1.00 0.00 C ATOM 977 O ALA A 66 26.802 -4.707 -37.344 1.00 0.00 O ATOM 978 CB ALA A 66 28.443 -2.338 -38.606 1.00 0.00 C ATOM 0 H ALA A 66 30.021 -3.751 -39.863 1.00 0.00 H new ATOM 0 HA ALA A 66 29.149 -3.742 -37.078 1.00 0.00 H new ATOM 0 HB1 ALA A 66 27.571 -2.008 -38.042 1.00 0.00 H new ATOM 0 HB2 ALA A 66 29.263 -1.637 -38.448 1.00 0.00 H new ATOM 0 HB3 ALA A 66 28.196 -2.375 -39.667 1.00 0.00 H new ATOM 984 N THR A 67 27.587 -5.531 -39.285 1.00 0.00 N ATOM 985 CA THR A 67 26.369 -6.294 -39.674 1.00 0.00 C ATOM 986 C THR A 67 26.635 -7.725 -40.171 1.00 0.00 C ATOM 987 O THR A 67 25.691 -8.473 -40.429 1.00 0.00 O ATOM 988 CB THR A 67 25.603 -5.547 -40.779 1.00 0.00 C ATOM 989 OG1 THR A 67 26.473 -5.339 -41.866 1.00 0.00 O ATOM 990 CG2 THR A 67 25.078 -4.181 -40.341 1.00 0.00 C ATOM 0 H THR A 67 28.375 -5.692 -39.912 1.00 0.00 H new ATOM 0 HA THR A 67 25.788 -6.374 -38.755 1.00 0.00 H new ATOM 0 HB THR A 67 24.744 -6.166 -41.038 1.00 0.00 H new ATOM 0 HG1 THR A 67 25.997 -4.865 -42.580 1.00 0.00 H new ATOM 0 HG21 THR A 67 24.549 -3.712 -41.170 1.00 0.00 H new ATOM 0 HG22 THR A 67 24.396 -4.306 -39.500 1.00 0.00 H new ATOM 0 HG23 THR A 67 25.914 -3.549 -40.040 1.00 0.00 H new ATOM 998 N ARG A 68 27.914 -8.112 -40.303 1.00 0.00 N ATOM 999 CA ARG A 68 28.454 -9.400 -40.791 1.00 0.00 C ATOM 1000 C ARG A 68 27.910 -9.866 -42.153 1.00 0.00 C ATOM 1001 O ARG A 68 27.818 -11.062 -42.434 1.00 0.00 O ATOM 1002 CB ARG A 68 28.492 -10.469 -39.673 1.00 0.00 C ATOM 1003 CG ARG A 68 27.120 -10.923 -39.149 1.00 0.00 C ATOM 1004 CD ARG A 68 27.260 -12.082 -38.156 1.00 0.00 C ATOM 1005 NE ARG A 68 25.939 -12.512 -37.653 1.00 0.00 N ATOM 1006 CZ ARG A 68 25.705 -13.381 -36.684 1.00 0.00 C ATOM 1007 NH1 ARG A 68 26.669 -13.980 -36.041 1.00 0.00 N ATOM 1008 NH2 ARG A 68 24.482 -13.669 -36.338 1.00 0.00 N ATOM 0 H ARG A 68 28.669 -7.475 -40.048 1.00 0.00 H new ATOM 0 HA ARG A 68 29.498 -9.215 -41.043 1.00 0.00 H new ATOM 0 HB2 ARG A 68 29.027 -11.342 -40.047 1.00 0.00 H new ATOM 0 HB3 ARG A 68 29.070 -10.075 -38.837 1.00 0.00 H new ATOM 0 HG2 ARG A 68 26.618 -10.085 -38.665 1.00 0.00 H new ATOM 0 HG3 ARG A 68 26.493 -11.231 -39.985 1.00 0.00 H new ATOM 0 HD2 ARG A 68 27.760 -12.921 -38.640 1.00 0.00 H new ATOM 0 HD3 ARG A 68 27.889 -11.775 -37.320 1.00 0.00 H new ATOM 0 HE ARG A 68 25.122 -12.095 -38.100 1.00 0.00 H new ATOM 0 HH11 ARG A 68 27.641 -13.784 -36.280 1.00 0.00 H new ATOM 0 HH12 ARG A 68 26.451 -14.645 -35.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 23.699 -13.223 -36.815 1.00 0.00 H new ATOM 0 HH22 ARG A 68 24.308 -14.340 -35.590 1.00 0.00 H new ATOM 1022 N LYS A 69 27.603 -8.892 -43.015 1.00 0.00 N ATOM 1023 CA LYS A 69 27.352 -9.058 -44.455 1.00 0.00 C ATOM 1024 C LYS A 69 28.681 -9.177 -45.203 1.00 0.00 C ATOM 1025 O LYS A 69 29.652 -8.574 -44.763 1.00 0.00 O ATOM 1026 CB LYS A 69 26.642 -7.805 -44.958 1.00 0.00 C ATOM 1027 CG LYS A 69 25.252 -7.591 -44.362 1.00 0.00 C ATOM 1028 CD LYS A 69 24.728 -6.248 -44.875 1.00 0.00 C ATOM 1029 CE LYS A 69 23.393 -5.884 -44.227 1.00 0.00 C ATOM 1030 NZ LYS A 69 22.251 -6.675 -44.768 1.00 0.00 N ATOM 0 H LYS A 69 27.518 -7.920 -42.717 1.00 0.00 H new ATOM 0 HA LYS A 69 26.752 -9.953 -44.622 1.00 0.00 H new ATOM 0 HB2 LYS A 69 27.260 -6.936 -44.732 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.555 -7.861 -46.043 1.00 0.00 H new ATOM 0 HG2 LYS A 69 24.582 -8.400 -44.654 1.00 0.00 H new ATOM 0 HG3 LYS A 69 25.298 -7.593 -43.273 1.00 0.00 H new ATOM 0 HD2 LYS A 69 25.460 -5.467 -44.667 1.00 0.00 H new ATOM 0 HD3 LYS A 69 24.608 -6.292 -45.957 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.462 -6.044 -43.151 1.00 0.00 H new ATOM 0 HE3 LYS A 69 23.198 -4.823 -44.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 21.372 -6.386 -44.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 22.164 -6.504 -45.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 22.419 -7.687 -44.599 1.00 0.00 H new ATOM 1044 N GLU A 70 28.738 -9.857 -46.346 1.00 0.00 N ATOM 1045 CA GLU A 70 29.979 -10.086 -47.118 1.00 0.00 C ATOM 1046 C GLU A 70 29.790 -9.880 -48.630 1.00 0.00 C ATOM 1047 O GLU A 70 28.695 -10.054 -49.172 1.00 0.00 O ATOM 1048 CB GLU A 70 30.479 -11.526 -46.928 1.00 0.00 C ATOM 1049 CG GLU A 70 30.729 -11.954 -45.477 1.00 0.00 C ATOM 1050 CD GLU A 70 30.442 -13.456 -45.288 1.00 0.00 C ATOM 1051 OE1 GLU A 70 29.273 -13.831 -45.028 1.00 0.00 O ATOM 1052 OE2 GLU A 70 31.386 -14.276 -45.405 1.00 0.00 O ATOM 0 H GLU A 70 27.914 -10.276 -46.778 1.00 0.00 H new ATOM 0 HA GLU A 70 30.694 -9.357 -46.738 1.00 0.00 H new ATOM 0 HB2 GLU A 70 29.750 -12.206 -47.368 1.00 0.00 H new ATOM 0 HB3 GLU A 70 31.406 -11.647 -47.489 1.00 0.00 H new ATOM 0 HG2 GLU A 70 31.762 -11.740 -45.204 1.00 0.00 H new ATOM 0 HG3 GLU A 70 30.095 -11.372 -44.808 1.00 0.00 H new ATOM 1059 N GLY A 71 30.882 -9.532 -49.317 1.00 0.00 N ATOM 1060 CA GLY A 71 30.921 -9.310 -50.768 1.00 0.00 C ATOM 1061 C GLY A 71 32.226 -8.678 -51.258 1.00 0.00 C ATOM 1062 O GLY A 71 33.033 -8.225 -50.448 1.00 0.00 O ATOM 0 H GLY A 71 31.788 -9.393 -48.869 1.00 0.00 H new ATOM 0 HA2 GLY A 71 30.776 -10.263 -51.277 1.00 0.00 H new ATOM 0 HA3 GLY A 71 30.087 -8.667 -51.051 1.00 0.00 H new ATOM 1066 N TYR A 72 32.438 -8.602 -52.575 1.00 0.00 N ATOM 1067 CA TYR A 72 33.460 -7.694 -53.117 1.00 0.00 C ATOM 1068 C TYR A 72 33.027 -6.237 -52.975 1.00 0.00 C ATOM 1069 O TYR A 72 31.835 -5.931 -52.938 1.00 0.00 O ATOM 1070 CB TYR A 72 33.817 -8.005 -54.569 1.00 0.00 C ATOM 1071 CG TYR A 72 34.388 -9.393 -54.714 1.00 0.00 C ATOM 1072 CD1 TYR A 72 35.724 -9.628 -54.346 1.00 0.00 C ATOM 1073 CD2 TYR A 72 33.566 -10.460 -55.110 1.00 0.00 C ATOM 1074 CE1 TYR A 72 36.241 -10.934 -54.357 1.00 0.00 C ATOM 1075 CE2 TYR A 72 34.083 -11.761 -55.181 1.00 0.00 C ATOM 1076 CZ TYR A 72 35.422 -12.009 -54.790 1.00 0.00 C ATOM 1077 OH TYR A 72 35.907 -13.281 -54.797 1.00 0.00 O ATOM 0 H TYR A 72 31.930 -9.144 -53.274 1.00 0.00 H new ATOM 0 HA TYR A 72 34.361 -7.855 -52.525 1.00 0.00 H new ATOM 0 HB2 TYR A 72 32.927 -7.910 -55.192 1.00 0.00 H new ATOM 0 HB3 TYR A 72 34.540 -7.274 -54.932 1.00 0.00 H new ATOM 0 HD1 TYR A 72 36.355 -8.802 -54.054 1.00 0.00 H new ATOM 0 HD2 TYR A 72 32.531 -10.278 -55.361 1.00 0.00 H new ATOM 0 HE1 TYR A 72 37.256 -11.119 -54.038 1.00 0.00 H new ATOM 0 HE2 TYR A 72 33.462 -12.572 -55.533 1.00 0.00 H new ATOM 0 HH TYR A 72 35.214 -13.894 -55.121 1.00 0.00 H new ATOM 1087 N ILE A 73 33.999 -5.337 -52.887 1.00 0.00 N ATOM 1088 CA ILE A 73 33.775 -3.911 -52.706 1.00 0.00 C ATOM 1089 C ILE A 73 34.836 -3.071 -53.439 1.00 0.00 C ATOM 1090 O ILE A 73 35.957 -3.534 -53.657 1.00 0.00 O ATOM 1091 CB ILE A 73 33.744 -3.540 -51.211 1.00 0.00 C ATOM 1092 CG1 ILE A 73 35.043 -3.921 -50.483 1.00 0.00 C ATOM 1093 CG2 ILE A 73 32.524 -4.120 -50.491 1.00 0.00 C ATOM 1094 CD1 ILE A 73 35.444 -2.783 -49.565 1.00 0.00 C ATOM 0 H ILE A 73 34.987 -5.586 -52.941 1.00 0.00 H new ATOM 0 HA ILE A 73 32.803 -3.682 -53.143 1.00 0.00 H new ATOM 0 HB ILE A 73 33.659 -2.454 -51.178 1.00 0.00 H new ATOM 0 HG12 ILE A 73 34.898 -4.836 -49.908 1.00 0.00 H new ATOM 0 HG13 ILE A 73 35.835 -4.120 -51.205 1.00 0.00 H new ATOM 0 HG21 ILE A 73 32.549 -3.830 -49.441 1.00 0.00 H new ATOM 0 HG22 ILE A 73 31.613 -3.737 -50.952 1.00 0.00 H new ATOM 0 HG23 ILE A 73 32.539 -5.207 -50.567 1.00 0.00 H new ATOM 0 HD11 ILE A 73 36.365 -3.044 -49.043 1.00 0.00 H new ATOM 0 HD12 ILE A 73 35.603 -1.880 -50.154 1.00 0.00 H new ATOM 0 HD13 ILE A 73 34.652 -2.607 -48.837 1.00 0.00 H new ATOM 1106 N PRO A 74 34.505 -1.832 -53.822 1.00 0.00 N ATOM 1107 CA PRO A 74 35.396 -0.929 -54.530 1.00 0.00 C ATOM 1108 C PRO A 74 36.428 -0.278 -53.600 1.00 0.00 C ATOM 1109 O PRO A 74 36.069 0.430 -52.658 1.00 0.00 O ATOM 1110 CB PRO A 74 34.455 0.108 -55.133 1.00 0.00 C ATOM 1111 CG PRO A 74 33.122 0.035 -54.385 1.00 0.00 C ATOM 1112 CD PRO A 74 33.246 -1.188 -53.515 1.00 0.00 C ATOM 0 HA PRO A 74 35.995 -1.447 -55.279 1.00 0.00 H new ATOM 0 HB2 PRO A 74 34.885 1.106 -55.048 1.00 0.00 H new ATOM 0 HB3 PRO A 74 34.306 -0.086 -56.195 1.00 0.00 H new ATOM 0 HG2 PRO A 74 32.952 0.931 -53.788 1.00 0.00 H new ATOM 0 HG3 PRO A 74 32.283 -0.052 -55.076 1.00 0.00 H new ATOM 0 HD2 PRO A 74 33.207 -0.911 -52.461 1.00 0.00 H new ATOM 0 HD3 PRO A 74 32.415 -1.870 -53.696 1.00 0.00 H new ATOM 1120 N SER A 75 37.723 -0.454 -53.879 1.00 0.00 N ATOM 1121 CA SER A 75 38.791 0.160 -53.066 1.00 0.00 C ATOM 1122 C SER A 75 38.823 1.699 -53.130 1.00 0.00 C ATOM 1123 O SER A 75 39.243 2.335 -52.165 1.00 0.00 O ATOM 1124 CB SER A 75 40.165 -0.415 -53.422 1.00 0.00 C ATOM 1125 OG SER A 75 40.511 -0.138 -54.765 1.00 0.00 O ATOM 0 H SER A 75 38.063 -1.015 -54.660 1.00 0.00 H new ATOM 0 HA SER A 75 38.548 -0.099 -52.036 1.00 0.00 H new ATOM 0 HB2 SER A 75 40.920 0.005 -52.757 1.00 0.00 H new ATOM 0 HB3 SER A 75 40.162 -1.493 -53.261 1.00 0.00 H new ATOM 0 HG SER A 75 39.839 -0.527 -55.363 1.00 0.00 H new ATOM 1131 N ASN A 76 38.330 2.325 -54.212 1.00 0.00 N ATOM 1132 CA ASN A 76 38.220 3.793 -54.320 1.00 0.00 C ATOM 1133 C ASN A 76 37.200 4.401 -53.336 1.00 0.00 C ATOM 1134 O ASN A 76 37.277 5.584 -53.007 1.00 0.00 O ATOM 1135 CB ASN A 76 37.921 4.196 -55.781 1.00 0.00 C ATOM 1136 CG ASN A 76 36.489 4.103 -56.241 1.00 0.00 C ATOM 1137 OD1 ASN A 76 35.745 3.264 -55.782 1.00 0.00 O ATOM 1138 ND2 ASN A 76 36.105 4.872 -57.230 1.00 0.00 N ATOM 0 H ASN A 76 37.996 1.829 -55.038 1.00 0.00 H new ATOM 0 HA ASN A 76 39.184 4.212 -54.030 1.00 0.00 H new ATOM 0 HB2 ASN A 76 38.256 5.224 -55.923 1.00 0.00 H new ATOM 0 HB3 ASN A 76 38.527 3.570 -56.435 1.00 0.00 H new ATOM 0 HD21 ASN A 76 35.169 4.768 -57.623 1.00 0.00 H new ATOM 0 HD22 ASN A 76 36.742 5.574 -57.607 1.00 0.00 H new ATOM 1145 N TYR A 77 36.261 3.587 -52.849 1.00 0.00 N ATOM 1146 CA TYR A 77 35.161 3.961 -51.966 1.00 0.00 C ATOM 1147 C TYR A 77 35.483 3.814 -50.496 1.00 0.00 C ATOM 1148 O TYR A 77 34.583 3.852 -49.659 1.00 0.00 O ATOM 1149 CB TYR A 77 33.961 3.082 -52.339 1.00 0.00 C ATOM 1150 CG TYR A 77 32.904 3.817 -53.100 1.00 0.00 C ATOM 1151 CD1 TYR A 77 33.261 4.493 -54.270 1.00 0.00 C ATOM 1152 CD2 TYR A 77 31.574 3.804 -52.669 1.00 0.00 C ATOM 1153 CE1 TYR A 77 32.297 5.121 -55.057 1.00 0.00 C ATOM 1154 CE2 TYR A 77 30.595 4.442 -53.440 1.00 0.00 C ATOM 1155 CZ TYR A 77 30.944 5.104 -54.642 1.00 0.00 C ATOM 1156 OH TYR A 77 29.986 5.723 -55.377 1.00 0.00 O ATOM 0 H TYR A 77 36.250 2.592 -53.075 1.00 0.00 H new ATOM 0 HA TYR A 77 34.950 5.021 -52.108 1.00 0.00 H new ATOM 0 HB2 TYR A 77 34.309 2.239 -52.936 1.00 0.00 H new ATOM 0 HB3 TYR A 77 33.524 2.670 -51.429 1.00 0.00 H new ATOM 0 HD1 TYR A 77 34.298 4.529 -54.569 1.00 0.00 H new ATOM 0 HD2 TYR A 77 31.304 3.306 -51.749 1.00 0.00 H new ATOM 0 HE1 TYR A 77 32.580 5.616 -55.974 1.00 0.00 H new ATOM 0 HE2 TYR A 77 29.565 4.429 -53.115 1.00 0.00 H new ATOM 0 HH TYR A 77 30.383 6.076 -56.201 1.00 0.00 H new ATOM 1166 N VAL A 78 36.746 3.572 -50.173 1.00 0.00 N ATOM 1167 CA VAL A 78 37.073 2.855 -48.948 1.00 0.00 C ATOM 1168 C VAL A 78 38.503 3.096 -48.534 1.00 0.00 C ATOM 1169 O VAL A 78 39.331 3.566 -49.318 1.00 0.00 O ATOM 1170 CB VAL A 78 36.827 1.357 -49.199 1.00 0.00 C ATOM 1171 CG1 VAL A 78 37.991 0.382 -49.213 1.00 0.00 C ATOM 1172 CG2 VAL A 78 35.555 0.828 -48.537 1.00 0.00 C ATOM 0 H VAL A 78 37.550 3.856 -50.732 1.00 0.00 H new ATOM 0 HA VAL A 78 36.444 3.214 -48.134 1.00 0.00 H new ATOM 0 HB VAL A 78 36.654 1.384 -50.275 1.00 0.00 H new ATOM 0 HG11 VAL A 78 37.620 -0.625 -49.405 1.00 0.00 H new ATOM 0 HG12 VAL A 78 38.694 0.665 -49.997 1.00 0.00 H new ATOM 0 HG13 VAL A 78 38.496 0.405 -48.247 1.00 0.00 H new ATOM 0 HG21 VAL A 78 35.445 -0.234 -48.756 1.00 0.00 H new ATOM 0 HG22 VAL A 78 35.620 0.971 -47.458 1.00 0.00 H new ATOM 0 HG23 VAL A 78 34.691 1.369 -48.924 1.00 0.00 H new ATOM 1182 N ALA A 79 38.777 2.787 -47.270 1.00 0.00 N ATOM 1183 CA ALA A 79 40.006 3.258 -46.660 1.00 0.00 C ATOM 1184 C ALA A 79 40.321 2.579 -45.341 1.00 0.00 C ATOM 1185 O ALA A 79 39.457 2.458 -44.480 1.00 0.00 O ATOM 1186 CB ALA A 79 39.805 4.750 -46.420 1.00 0.00 C ATOM 0 H ALA A 79 38.178 2.226 -46.664 1.00 0.00 H new ATOM 0 HA ALA A 79 40.844 3.034 -47.319 1.00 0.00 H new ATOM 0 HB1 ALA A 79 40.700 5.168 -45.959 1.00 0.00 H new ATOM 0 HB2 ALA A 79 39.619 5.250 -47.371 1.00 0.00 H new ATOM 0 HB3 ALA A 79 38.952 4.900 -45.758 1.00 0.00 H new ATOM 1192 N ARG A 80 41.561 2.120 -45.190 1.00 0.00 N ATOM 1193 CA ARG A 80 42.067 1.492 -43.977 1.00 0.00 C ATOM 1194 C ARG A 80 41.895 2.392 -42.755 1.00 0.00 C ATOM 1195 O ARG A 80 42.285 3.555 -42.794 1.00 0.00 O ATOM 1196 CB ARG A 80 43.545 1.197 -44.212 1.00 0.00 C ATOM 1197 CG ARG A 80 43.785 0.127 -45.262 1.00 0.00 C ATOM 1198 CD ARG A 80 45.067 -0.604 -44.912 1.00 0.00 C ATOM 1199 NE ARG A 80 45.415 -1.554 -45.973 1.00 0.00 N ATOM 1200 CZ ARG A 80 46.611 -2.024 -46.283 1.00 0.00 C ATOM 1201 NH1 ARG A 80 47.682 -1.689 -45.619 1.00 0.00 N ATOM 1202 NH2 ARG A 80 46.755 -2.858 -47.268 1.00 0.00 N ATOM 0 H ARG A 80 42.260 2.177 -45.931 1.00 0.00 H new ATOM 0 HA ARG A 80 41.506 0.580 -43.771 1.00 0.00 H new ATOM 0 HB2 ARG A 80 44.047 2.115 -44.517 1.00 0.00 H new ATOM 0 HB3 ARG A 80 43.999 0.882 -43.272 1.00 0.00 H new ATOM 0 HG2 ARG A 80 42.947 -0.569 -45.293 1.00 0.00 H new ATOM 0 HG3 ARG A 80 43.862 0.577 -46.252 1.00 0.00 H new ATOM 0 HD2 ARG A 80 45.877 0.113 -44.776 1.00 0.00 H new ATOM 0 HD3 ARG A 80 44.946 -1.132 -43.966 1.00 0.00 H new ATOM 0 HE ARG A 80 44.639 -1.894 -46.542 1.00 0.00 H new ATOM 0 HH11 ARG A 80 47.613 -1.044 -44.832 1.00 0.00 H new ATOM 0 HH12 ARG A 80 48.589 -2.072 -45.887 1.00 0.00 H new ATOM 0 HH21 ARG A 80 45.942 -3.155 -47.808 1.00 0.00 H new ATOM 0 HH22 ARG A 80 47.681 -3.216 -47.501 1.00 0.00 H new ATOM 1216 N VAL A 81 41.414 1.829 -41.647 1.00 0.00 N ATOM 1217 CA VAL A 81 41.289 2.540 -40.351 1.00 0.00 C ATOM 1218 C VAL A 81 42.637 3.066 -39.845 1.00 0.00 C ATOM 1219 O VAL A 81 42.736 4.140 -39.256 1.00 0.00 O ATOM 1220 CB VAL A 81 40.605 1.634 -39.317 1.00 0.00 C ATOM 1221 CG1 VAL A 81 41.526 0.695 -38.528 1.00 0.00 C ATOM 1222 CG2 VAL A 81 39.757 2.449 -38.337 1.00 0.00 C ATOM 0 H VAL A 81 41.095 0.861 -41.611 1.00 0.00 H new ATOM 0 HA VAL A 81 40.662 3.418 -40.508 1.00 0.00 H new ATOM 0 HB VAL A 81 39.979 0.985 -39.929 1.00 0.00 H new ATOM 0 HG11 VAL A 81 40.932 0.105 -37.829 1.00 0.00 H new ATOM 0 HG12 VAL A 81 42.043 0.028 -39.218 1.00 0.00 H new ATOM 0 HG13 VAL A 81 42.258 1.283 -37.975 1.00 0.00 H new ATOM 0 HG21 VAL A 81 39.286 1.778 -37.618 1.00 0.00 H new ATOM 0 HG22 VAL A 81 40.393 3.159 -37.808 1.00 0.00 H new ATOM 0 HG23 VAL A 81 38.987 2.991 -38.886 1.00 0.00 H new ATOM 1232 N ASP A 82 43.689 2.314 -40.170 1.00 0.00 N ATOM 1233 CA ASP A 82 45.098 2.614 -39.906 1.00 0.00 C ATOM 1234 C ASP A 82 45.666 3.790 -40.719 1.00 0.00 C ATOM 1235 O ASP A 82 46.753 4.293 -40.430 1.00 0.00 O ATOM 1236 CB ASP A 82 45.855 1.330 -40.241 1.00 0.00 C ATOM 1237 CG ASP A 82 47.332 1.362 -39.813 1.00 0.00 C ATOM 1238 OD1 ASP A 82 47.608 1.471 -38.593 1.00 0.00 O ATOM 1239 OD2 ASP A 82 48.220 1.235 -40.690 1.00 0.00 O ATOM 0 H ASP A 82 43.574 1.424 -40.655 1.00 0.00 H new ATOM 0 HA ASP A 82 45.207 2.928 -38.868 1.00 0.00 H new ATOM 0 HB2 ASP A 82 45.362 0.489 -39.754 1.00 0.00 H new ATOM 0 HB3 ASP A 82 45.799 1.154 -41.315 1.00 0.00 H new ATOM 1244 N SER A 83 44.912 4.231 -41.728 1.00 0.00 N ATOM 1245 CA SER A 83 45.334 5.247 -42.715 1.00 0.00 C ATOM 1246 C SER A 83 44.429 6.489 -42.755 1.00 0.00 C ATOM 1247 O SER A 83 44.520 7.308 -43.674 1.00 0.00 O ATOM 1248 CB SER A 83 45.470 4.595 -44.098 1.00 0.00 C ATOM 1249 OG SER A 83 46.188 5.428 -44.993 1.00 0.00 O ATOM 0 H SER A 83 43.966 3.887 -41.892 1.00 0.00 H new ATOM 0 HA SER A 83 46.306 5.623 -42.394 1.00 0.00 H new ATOM 0 HB2 SER A 83 45.980 3.637 -44.002 1.00 0.00 H new ATOM 0 HB3 SER A 83 44.480 4.390 -44.504 1.00 0.00 H new ATOM 0 HG SER A 83 45.906 6.359 -44.871 1.00 0.00 H new ATOM 1255 N LEU A 84 43.558 6.633 -41.757 1.00 0.00 N ATOM 1256 CA LEU A 84 42.699 7.797 -41.553 1.00 0.00 C ATOM 1257 C LEU A 84 43.459 8.989 -40.931 1.00 0.00 C ATOM 1258 O LEU A 84 44.574 8.850 -40.423 1.00 0.00 O ATOM 1259 CB LEU A 84 41.523 7.359 -40.662 1.00 0.00 C ATOM 1260 CG LEU A 84 40.671 6.203 -41.221 1.00 0.00 C ATOM 1261 CD1 LEU A 84 39.492 5.930 -40.286 1.00 0.00 C ATOM 1262 CD2 LEU A 84 40.109 6.476 -42.619 1.00 0.00 C ATOM 0 H LEU A 84 43.427 5.916 -41.043 1.00 0.00 H new ATOM 0 HA LEU A 84 42.337 8.152 -42.518 1.00 0.00 H new ATOM 0 HB2 LEU A 84 41.916 7.062 -39.689 1.00 0.00 H new ATOM 0 HB3 LEU A 84 40.875 8.219 -40.495 1.00 0.00 H new ATOM 0 HG LEU A 84 41.340 5.345 -41.291 1.00 0.00 H new ATOM 0 HD11 LEU A 84 38.893 5.112 -40.686 1.00 0.00 H new ATOM 0 HD12 LEU A 84 39.866 5.658 -39.299 1.00 0.00 H new ATOM 0 HD13 LEU A 84 38.876 6.826 -40.206 1.00 0.00 H new ATOM 0 HD21 LEU A 84 39.520 5.620 -42.948 1.00 0.00 H new ATOM 0 HD22 LEU A 84 39.475 7.362 -42.590 1.00 0.00 H new ATOM 0 HD23 LEU A 84 40.931 6.641 -43.316 1.00 0.00 H new ATOM 1274 N GLU A 85 42.819 10.162 -40.923 1.00 0.00 N ATOM 1275 CA GLU A 85 43.350 11.426 -40.373 1.00 0.00 C ATOM 1276 C GLU A 85 42.621 11.821 -39.065 1.00 0.00 C ATOM 1277 O GLU A 85 42.371 13.001 -38.794 1.00 0.00 O ATOM 1278 CB GLU A 85 43.291 12.530 -41.448 1.00 0.00 C ATOM 1279 CG GLU A 85 44.158 12.213 -42.674 1.00 0.00 C ATOM 1280 CD GLU A 85 44.181 13.402 -43.652 1.00 0.00 C ATOM 1281 OE1 GLU A 85 43.289 13.492 -44.532 1.00 0.00 O ATOM 1282 OE2 GLU A 85 45.096 14.258 -43.555 1.00 0.00 O ATOM 0 H GLU A 85 41.882 10.268 -41.312 1.00 0.00 H new ATOM 0 HA GLU A 85 44.397 11.287 -40.102 1.00 0.00 H new ATOM 0 HB2 GLU A 85 42.257 12.667 -41.765 1.00 0.00 H new ATOM 0 HB3 GLU A 85 43.618 13.474 -41.012 1.00 0.00 H new ATOM 0 HG2 GLU A 85 45.174 11.979 -42.356 1.00 0.00 H new ATOM 0 HG3 GLU A 85 43.771 11.328 -43.180 1.00 0.00 H new ATOM 1289 N THR A 86 42.246 10.810 -38.267 1.00 0.00 N ATOM 1290 CA THR A 86 41.380 10.904 -37.072 1.00 0.00 C ATOM 1291 C THR A 86 41.968 10.146 -35.879 1.00 0.00 C ATOM 1292 O THR A 86 42.116 8.904 -35.976 1.00 0.00 O ATOM 1293 CB THR A 86 39.969 10.373 -37.357 1.00 0.00 C ATOM 1294 OG1 THR A 86 40.076 9.018 -37.719 1.00 0.00 O ATOM 1295 CG2 THR A 86 39.236 11.133 -38.466 1.00 0.00 C ATOM 1296 OXT THR A 86 42.272 10.793 -34.851 1.00 0.00 O ATOM 0 H THR A 86 42.552 9.853 -38.443 1.00 0.00 H new ATOM 0 HA THR A 86 41.321 11.963 -36.821 1.00 0.00 H new ATOM 0 HB THR A 86 39.380 10.511 -36.450 1.00 0.00 H new ATOM 0 HG1 THR A 86 40.789 8.595 -37.197 1.00 0.00 H new ATOM 0 HG21 THR A 86 38.246 10.700 -38.610 1.00 0.00 H new ATOM 0 HG22 THR A 86 39.136 12.181 -38.184 1.00 0.00 H new ATOM 0 HG23 THR A 86 39.803 11.059 -39.394 1.00 0.00 H new TER 1304 THR A 86 HETATM 1305 C ACE B 87 40.348 -9.709 -56.452 1.00 0.00 C HETATM 1306 O ACE B 87 40.697 -10.717 -57.063 1.00 0.00 O HETATM 1307 CH3 ACE B 87 40.565 -9.612 -54.958 1.00 0.00 C HETATM 0 H1 ACE B 87 41.206 -8.759 -54.738 1.00 0.00 H new HETATM 0 H2 ACE B 87 39.605 -9.483 -54.459 1.00 0.00 H new HETATM 0 H3 ACE B 87 41.040 -10.525 -54.599 1.00 0.00 H new ATOM 1311 N HIS B 88 39.771 -8.657 -57.029 1.00 0.00 N ATOM 1312 CA HIS B 88 39.281 -8.600 -58.411 1.00 0.00 C ATOM 1313 C HIS B 88 39.530 -7.222 -59.057 1.00 0.00 C ATOM 1314 O HIS B 88 39.824 -6.236 -58.386 1.00 0.00 O ATOM 1315 CB HIS B 88 37.767 -8.930 -58.396 1.00 0.00 C ATOM 1316 CG HIS B 88 37.399 -10.395 -58.315 1.00 0.00 C ATOM 1317 ND1 HIS B 88 38.233 -11.482 -58.460 1.00 0.00 N ATOM 1318 CD2 HIS B 88 36.128 -10.892 -58.200 1.00 0.00 C ATOM 1319 CE1 HIS B 88 37.490 -12.600 -58.436 1.00 0.00 C ATOM 1320 NE2 HIS B 88 36.191 -12.290 -58.286 1.00 0.00 N ATOM 0 H HIS B 88 39.624 -7.781 -56.527 1.00 0.00 H new ATOM 0 HA HIS B 88 39.826 -9.326 -59.014 1.00 0.00 H new ATOM 0 HB2 HIS B 88 37.314 -8.416 -57.548 1.00 0.00 H new ATOM 0 HB3 HIS B 88 37.318 -8.514 -59.298 1.00 0.00 H new ATOM 0 HD1 HIS B 88 39.247 -11.444 -58.568 1.00 0.00 H new ATOM 0 HD2 HIS B 88 35.230 -10.307 -58.066 1.00 0.00 H new ATOM 0 HE1 HIS B 88 37.880 -13.603 -58.524 1.00 0.00 H new ATOM 1328 N SER B 89 39.348 -7.137 -60.377 1.00 0.00 N ATOM 1329 CA SER B 89 39.360 -5.885 -61.163 1.00 0.00 C ATOM 1330 C SER B 89 38.254 -5.912 -62.233 1.00 0.00 C ATOM 1331 O SER B 89 38.440 -5.590 -63.409 1.00 0.00 O ATOM 1332 CB SER B 89 40.755 -5.632 -61.727 1.00 0.00 C ATOM 1333 OG SER B 89 40.924 -4.265 -62.059 1.00 0.00 O ATOM 0 H SER B 89 39.182 -7.961 -60.954 1.00 0.00 H new ATOM 0 HA SER B 89 39.133 -5.038 -60.516 1.00 0.00 H new ATOM 0 HB2 SER B 89 41.507 -5.929 -60.996 1.00 0.00 H new ATOM 0 HB3 SER B 89 40.911 -6.248 -62.613 1.00 0.00 H new ATOM 0 HG SER B 89 41.825 -4.124 -62.417 1.00 0.00 H new ATOM 1339 N LYS B 90 37.078 -6.380 -61.792 1.00 0.00 N ATOM 1340 CA LYS B 90 35.844 -6.612 -62.570 1.00 0.00 C ATOM 1341 C LYS B 90 35.349 -5.412 -63.397 1.00 0.00 C ATOM 1342 O LYS B 90 34.719 -5.601 -64.437 1.00 0.00 O ATOM 1343 CB LYS B 90 34.764 -7.113 -61.588 1.00 0.00 C ATOM 1344 CG LYS B 90 34.405 -6.088 -60.488 1.00 0.00 C ATOM 1345 CD LYS B 90 33.749 -6.714 -59.252 1.00 0.00 C ATOM 1346 CE LYS B 90 32.477 -7.491 -59.604 1.00 0.00 C ATOM 1347 NZ LYS B 90 31.713 -7.805 -58.381 1.00 0.00 N ATOM 0 H LYS B 90 36.951 -6.626 -60.810 1.00 0.00 H new ATOM 0 HA LYS B 90 36.071 -7.358 -63.332 1.00 0.00 H new ATOM 0 HB2 LYS B 90 33.863 -7.363 -62.148 1.00 0.00 H new ATOM 0 HB3 LYS B 90 35.111 -8.032 -61.117 1.00 0.00 H new ATOM 0 HG2 LYS B 90 35.311 -5.565 -60.182 1.00 0.00 H new ATOM 0 HG3 LYS B 90 33.731 -5.340 -60.907 1.00 0.00 H new ATOM 0 HD2 LYS B 90 34.459 -7.383 -58.766 1.00 0.00 H new ATOM 0 HD3 LYS B 90 33.507 -5.930 -58.535 1.00 0.00 H new ATOM 0 HE2 LYS B 90 31.861 -6.904 -60.285 1.00 0.00 H new ATOM 0 HE3 LYS B 90 32.738 -8.412 -60.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 90 30.713 -7.555 -58.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 90 31.790 -8.822 -58.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 90 32.097 -7.260 -57.583 1.00 0.00 H new ATOM 1361 N TYR B 91 35.657 -4.200 -62.935 1.00 0.00 N ATOM 1362 CA TYR B 91 35.288 -2.903 -63.526 1.00 0.00 C ATOM 1363 C TYR B 91 36.375 -1.864 -63.178 1.00 0.00 C ATOM 1364 O TYR B 91 37.004 -2.010 -62.126 1.00 0.00 O ATOM 1365 CB TYR B 91 33.932 -2.436 -62.953 1.00 0.00 C ATOM 1366 CG TYR B 91 32.700 -2.889 -63.724 1.00 0.00 C ATOM 1367 CD1 TYR B 91 32.115 -4.146 -63.473 1.00 0.00 C ATOM 1368 CD2 TYR B 91 32.118 -2.030 -64.679 1.00 0.00 C ATOM 1369 CE1 TYR B 91 30.972 -4.557 -64.187 1.00 0.00 C ATOM 1370 CE2 TYR B 91 30.969 -2.432 -65.388 1.00 0.00 C ATOM 1371 CZ TYR B 91 30.396 -3.699 -65.149 1.00 0.00 C ATOM 1372 OH TYR B 91 29.289 -4.083 -65.840 1.00 0.00 O ATOM 0 H TYR B 91 36.206 -4.085 -62.083 1.00 0.00 H new ATOM 0 HA TYR B 91 35.205 -3.006 -64.608 1.00 0.00 H new ATOM 0 HB2 TYR B 91 33.849 -2.795 -61.927 1.00 0.00 H new ATOM 0 HB3 TYR B 91 33.932 -1.347 -62.911 1.00 0.00 H new ATOM 0 HD1 TYR B 91 32.546 -4.799 -62.728 1.00 0.00 H new ATOM 0 HD2 TYR B 91 32.555 -1.060 -64.868 1.00 0.00 H new ATOM 0 HE1 TYR B 91 30.537 -5.527 -63.999 1.00 0.00 H new ATOM 0 HE2 TYR B 91 30.526 -1.769 -66.116 1.00 0.00 H new ATOM 0 HH TYR B 91 29.027 -3.371 -66.460 1.00 0.00 H new ATOM 1382 N PRO B 92 36.564 -0.791 -63.974 1.00 0.00 N ATOM 1383 CA PRO B 92 37.571 0.259 -63.750 1.00 0.00 C ATOM 1384 C PRO B 92 37.179 1.256 -62.628 1.00 0.00 C ATOM 1385 O PRO B 92 37.220 2.477 -62.810 1.00 0.00 O ATOM 1386 CB PRO B 92 37.754 0.908 -65.130 1.00 0.00 C ATOM 1387 CG PRO B 92 36.352 0.822 -65.727 1.00 0.00 C ATOM 1388 CD PRO B 92 35.866 -0.539 -65.232 1.00 0.00 C ATOM 0 HA PRO B 92 38.511 -0.145 -63.374 1.00 0.00 H new ATOM 0 HB2 PRO B 92 38.098 1.939 -65.051 1.00 0.00 H new ATOM 0 HB3 PRO B 92 38.486 0.373 -65.736 1.00 0.00 H new ATOM 0 HG2 PRO B 92 35.712 1.633 -65.379 1.00 0.00 H new ATOM 0 HG3 PRO B 92 36.370 0.875 -66.816 1.00 0.00 H new ATOM 0 HD2 PRO B 92 34.786 -0.536 -65.084 1.00 0.00 H new ATOM 0 HD3 PRO B 92 36.085 -1.319 -65.961 1.00 0.00 H new ATOM 1396 N LEU B 93 36.784 0.708 -61.470 1.00 0.00 N ATOM 1397 CA LEU B 93 36.172 1.335 -60.286 1.00 0.00 C ATOM 1398 C LEU B 93 34.817 2.062 -60.531 1.00 0.00 C ATOM 1399 O LEU B 93 34.522 2.503 -61.647 1.00 0.00 O ATOM 1400 CB LEU B 93 37.206 2.234 -59.572 1.00 0.00 C ATOM 1401 CG LEU B 93 38.279 1.456 -58.785 1.00 0.00 C ATOM 1402 CD1 LEU B 93 39.506 2.335 -58.545 1.00 0.00 C ATOM 1403 CD2 LEU B 93 37.737 0.855 -57.485 1.00 0.00 C ATOM 0 H LEU B 93 36.897 -0.295 -61.323 1.00 0.00 H new ATOM 0 HA LEU B 93 35.889 0.513 -59.628 1.00 0.00 H new ATOM 0 HB2 LEU B 93 37.699 2.862 -60.314 1.00 0.00 H new ATOM 0 HB3 LEU B 93 36.681 2.901 -58.888 1.00 0.00 H new ATOM 0 HG LEU B 93 38.584 0.607 -59.397 1.00 0.00 H new ATOM 0 HD11 LEU B 93 40.254 1.771 -57.988 1.00 0.00 H new ATOM 0 HD12 LEU B 93 39.924 2.646 -59.503 1.00 0.00 H new ATOM 0 HD13 LEU B 93 39.216 3.216 -57.973 1.00 0.00 H new ATOM 0 HD21 LEU B 93 38.535 0.319 -56.972 1.00 0.00 H new ATOM 0 HD22 LEU B 93 37.365 1.653 -56.843 1.00 0.00 H new ATOM 0 HD23 LEU B 93 36.925 0.165 -57.714 1.00 0.00 H new ATOM 1415 N PRO B 94 33.964 2.180 -59.490 1.00 0.00 N ATOM 1416 CA PRO B 94 32.709 2.926 -59.546 1.00 0.00 C ATOM 1417 C PRO B 94 32.921 4.445 -59.645 1.00 0.00 C ATOM 1418 O PRO B 94 33.966 4.949 -59.215 1.00 0.00 O ATOM 1419 CB PRO B 94 31.940 2.582 -58.267 1.00 0.00 C ATOM 1420 CG PRO B 94 32.922 1.898 -57.341 1.00 0.00 C ATOM 1421 CD PRO B 94 34.171 1.629 -58.168 1.00 0.00 C ATOM 0 HA PRO B 94 32.160 2.645 -60.444 1.00 0.00 H new ATOM 0 HB2 PRO B 94 31.535 3.482 -57.805 1.00 0.00 H new ATOM 0 HB3 PRO B 94 31.096 1.929 -58.487 1.00 0.00 H new ATOM 0 HG2 PRO B 94 33.152 2.530 -56.483 1.00 0.00 H new ATOM 0 HG3 PRO B 94 32.506 0.969 -56.951 1.00 0.00 H new ATOM 0 HD2 PRO B 94 35.043 2.084 -57.699 1.00 0.00 H new ATOM 0 HD3 PRO B 94 34.364 0.558 -58.228 1.00 0.00 H new ATOM 1429 N PRO B 95 31.917 5.197 -60.136 1.00 0.00 N ATOM 1430 CA PRO B 95 31.958 6.653 -60.164 1.00 0.00 C ATOM 1431 C PRO B 95 31.742 7.210 -58.759 1.00 0.00 C ATOM 1432 O PRO B 95 30.683 7.054 -58.146 1.00 0.00 O ATOM 1433 CB PRO B 95 30.858 7.057 -61.148 1.00 0.00 C ATOM 1434 CG PRO B 95 29.804 5.955 -61.000 1.00 0.00 C ATOM 1435 CD PRO B 95 30.578 4.730 -60.502 1.00 0.00 C ATOM 0 HA PRO B 95 32.919 7.054 -60.485 1.00 0.00 H new ATOM 0 HB2 PRO B 95 30.447 8.037 -60.907 1.00 0.00 H new ATOM 0 HB3 PRO B 95 31.236 7.113 -62.169 1.00 0.00 H new ATOM 0 HG2 PRO B 95 29.027 6.245 -60.293 1.00 0.00 H new ATOM 0 HG3 PRO B 95 29.311 5.751 -61.950 1.00 0.00 H new ATOM 0 HD2 PRO B 95 30.078 4.279 -59.645 1.00 0.00 H new ATOM 0 HD3 PRO B 95 30.633 3.966 -61.277 1.00 0.00 H new ATOM 1443 N LEU B 96 32.792 7.868 -58.266 1.00 0.00 N ATOM 1444 CA LEU B 96 32.797 8.578 -56.996 1.00 0.00 C ATOM 1445 C LEU B 96 31.648 9.609 -56.879 1.00 0.00 C ATOM 1446 O LEU B 96 31.143 10.098 -57.900 1.00 0.00 O ATOM 1447 CB LEU B 96 34.161 9.257 -56.837 1.00 0.00 C ATOM 1448 CG LEU B 96 35.349 8.364 -56.453 1.00 0.00 C ATOM 1449 CD1 LEU B 96 36.589 9.224 -56.211 1.00 0.00 C ATOM 1450 CD2 LEU B 96 35.060 7.603 -55.175 1.00 0.00 C ATOM 0 H LEU B 96 33.685 7.920 -58.756 1.00 0.00 H new ATOM 0 HA LEU B 96 32.630 7.859 -56.194 1.00 0.00 H new ATOM 0 HB2 LEU B 96 34.402 9.754 -57.776 1.00 0.00 H new ATOM 0 HB3 LEU B 96 34.065 10.035 -56.080 1.00 0.00 H new ATOM 0 HG LEU B 96 35.516 7.664 -57.272 1.00 0.00 H new ATOM 0 HD11 LEU B 96 37.428 8.584 -55.939 1.00 0.00 H new ATOM 0 HD12 LEU B 96 36.833 9.775 -57.119 1.00 0.00 H new ATOM 0 HD13 LEU B 96 36.392 9.927 -55.402 1.00 0.00 H new ATOM 0 HD21 LEU B 96 35.916 6.977 -54.923 1.00 0.00 H new ATOM 0 HD22 LEU B 96 34.875 8.309 -54.365 1.00 0.00 H new ATOM 0 HD23 LEU B 96 34.180 6.975 -55.316 1.00 0.00 H new ATOM 1462 N PRO B 97 31.230 9.954 -55.644 1.00 0.00 N ATOM 1463 CA PRO B 97 30.090 10.826 -55.397 1.00 0.00 C ATOM 1464 C PRO B 97 30.371 12.298 -55.750 1.00 0.00 C ATOM 1465 O PRO B 97 31.469 12.687 -56.158 1.00 0.00 O ATOM 1466 CB PRO B 97 29.734 10.642 -53.912 1.00 0.00 C ATOM 1467 CG PRO B 97 30.786 9.709 -53.332 1.00 0.00 C ATOM 1468 CD PRO B 97 31.866 9.606 -54.386 1.00 0.00 C ATOM 0 HA PRO B 97 29.254 10.555 -56.042 1.00 0.00 H new ATOM 0 HB2 PRO B 97 29.734 11.599 -53.391 1.00 0.00 H new ATOM 0 HB3 PRO B 97 28.736 10.219 -53.801 1.00 0.00 H new ATOM 0 HG2 PRO B 97 31.187 10.103 -52.398 1.00 0.00 H new ATOM 0 HG3 PRO B 97 30.361 8.730 -53.109 1.00 0.00 H new ATOM 0 HD2 PRO B 97 32.692 10.282 -54.166 1.00 0.00 H new ATOM 0 HD3 PRO B 97 32.280 8.598 -54.423 1.00 0.00 H new ATOM 1476 N SER B 98 29.353 13.136 -55.546 1.00 0.00 N ATOM 1477 CA SER B 98 29.410 14.599 -55.733 1.00 0.00 C ATOM 1478 C SER B 98 30.331 15.334 -54.741 1.00 0.00 C ATOM 1479 O SER B 98 30.735 16.469 -55.008 1.00 0.00 O ATOM 1480 CB SER B 98 27.996 15.185 -55.635 1.00 0.00 C ATOM 1481 OG SER B 98 27.440 14.932 -54.353 1.00 0.00 O ATOM 0 H SER B 98 28.436 12.813 -55.237 1.00 0.00 H new ATOM 0 HA SER B 98 29.840 14.755 -56.722 1.00 0.00 H new ATOM 0 HB2 SER B 98 28.028 16.259 -55.819 1.00 0.00 H new ATOM 0 HB3 SER B 98 27.361 14.748 -56.406 1.00 0.00 H new ATOM 0 HG SER B 98 26.539 15.314 -54.306 1.00 0.00 H new ATOM 1487 N LEU B 99 30.671 14.696 -53.608 1.00 0.00 N ATOM 1488 CA LEU B 99 31.463 15.241 -52.489 1.00 0.00 C ATOM 1489 C LEU B 99 30.903 16.557 -51.891 1.00 0.00 C ATOM 1490 O LEU B 99 31.621 17.329 -51.253 1.00 0.00 O ATOM 1491 CB LEU B 99 32.958 15.335 -52.881 1.00 0.00 C ATOM 1492 CG LEU B 99 33.591 14.054 -53.462 1.00 0.00 C ATOM 1493 CD1 LEU B 99 35.072 14.298 -53.754 1.00 0.00 C ATOM 1494 CD2 LEU B 99 33.485 12.855 -52.517 1.00 0.00 C ATOM 0 H LEU B 99 30.385 13.732 -53.438 1.00 0.00 H new ATOM 0 HA LEU B 99 31.374 14.531 -51.667 1.00 0.00 H new ATOM 0 HB2 LEU B 99 33.071 16.135 -53.613 1.00 0.00 H new ATOM 0 HB3 LEU B 99 33.526 15.628 -51.998 1.00 0.00 H new ATOM 0 HG LEU B 99 33.037 13.820 -54.371 1.00 0.00 H new ATOM 0 HD11 LEU B 99 35.516 13.391 -54.164 1.00 0.00 H new ATOM 0 HD12 LEU B 99 35.172 15.109 -54.475 1.00 0.00 H new ATOM 0 HD13 LEU B 99 35.585 14.568 -52.831 1.00 0.00 H new ATOM 0 HD21 LEU B 99 33.948 11.984 -52.981 1.00 0.00 H new ATOM 0 HD22 LEU B 99 33.996 13.083 -51.582 1.00 0.00 H new ATOM 0 HD23 LEU B 99 32.435 12.643 -52.314 1.00 0.00 H new HETATM 1506 N NH2 B 100 29.618 16.844 -52.074 1.00 0.00 N TER 1509 NH2 B 100 CONECT 1305 1306 1307 1311 CONECT 1306 1305 CONECT 1307 1305 1308 1309 1310 CONECT 1308 1307 CONECT 1309 1307 CONECT 1310 1307 CONECT 1311 1305 CONECT 1489 1506 CONECT 1506 1489 1507 1508 CONECT 1507 1506 CONECT 1508 1506 END