USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-NOV-04 1WCJ TITLE CONSERVED HYPOTHETICAL PROTEIN TM0487 FROM THERMOTOGA TITLE 2 MARITIMA COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM0487; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 2-104; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: CONFORMER WITH THE LOWEST R.M.S.D. TO THE COMPND 7 MEAN STRUCTURE. SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 2336; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET KEYWDS STRUCTURAL GENOMICS, UNKNOWN FUNCTION, CONTAINS PAAD KEYWDS 2 DOMAIN, SIMILAR TO PAAD PROTEIN, UNKNOWN ACTIVITY, KEYWDS 3 ALPHA/BETA FOLD, JCSG, HYPOTHETICAL PROTEIN, PSI, PROTEIN KEYWDS 4 STRUCTURE INITIATIVE, JOINT CENTER FOR STRUCTURAL GENOMICS EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.S.ALMEIDA,W.PETI,T.HERRMANN,K.WUTHRICH, AUTHOR 2 JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) REVDAT 4 24-FEB-09 1WCJ 1 VERSN REVDAT 3 08-NOV-06 1WCJ 1 KEYWDS AUTHOR REVDAT 2 02-NOV-05 1WCJ 1 JRNL REVDAT 1 14-DEC-04 1WCJ 0 JRNL AUTH M.S.ALMEIDA,T.HERRMANN,W.PETI,I.A.WILSON,K.WUTHRICH JRNL TITL NMR STRUCTURE OF THE CONSERVED HYPOTHETICAL JRNL TITL 2 PROTEIN TM0487 FROM THERMOTOGA MARITIMA: JRNL TITL 3 IMPLICATIONS FOR 216 HOMOLOGOUS DUF59 PROTEINS. JRNL REF PROTEIN SCI. V. 14 2880 2005 JRNL REFN ISSN 0961-8368 JRNL PMID 16199668 JRNL DOI 10.1110/PS.051755805 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.S.ALMEIDA,W.PETI,K.WUTHRICH REMARK 1 TITL 1H-, 13C- AND 15N-NMR ASSIGNMENT OF THE CONSERVED REMARK 1 TITL 2 HYPOTHETICAL PROTEIN TM0487 FROM THERMOTOGA REMARK 1 TITL 3 MARITIMA REMARK 1 REF J.BIOMOL.NMR V. 29 453 2004 REMARK 1 REFN ISSN 0925-2738 REMARK 1 PMID 15213465 REMARK 1 DOI 10.1023/B:JNMR.0000032522.43753.F1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : OPALP REMARK 3 AUTHORS : R.KORADI,M.BILLETER,P.GUNTERT REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THIS STRUCTURE WAS ENERGY-MINIMIZED REMARK 3 IN A WATER SHELL USING THE AMBER FORCE FIELD. REMARK 4 REMARK 4 1WCJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 17-NOV-04. REMARK 100 THE PDBE ID CODE IS EBI-16254. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 90% H2O/10% D2O, 20 MM REMARK 210 SODIUM PHOSPHATE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 15N-RESOLVED REMARK 210 [1H,1H]-NOESY; REMARK 210 3D 13C-RESOLVED REMARK 210 [1H,1H]-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 900 REMARK 210 SPECTROMETER MODEL : DRX900 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ATNOS/CANDID/DYANA REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST R.M.S.D. TO THE REMARK 210 MEAN STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: IT REPRESENTS THE CLOSEST CONFORMER TO THE MEAN.. REMARK 210 THE SAMPLE WAS 13C AND 15N-LABELED. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 PRO A 1 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 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 LYS A 16 10.98 -58.10 REMARK 500 VAL A 75 64.30 -45.67 REMARK 500 TRP A 88 -93.85 -70.21 REMARK 500 THR A 89 114.39 158.64 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 CYS A 55 PRO A 56 -146.87 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1UWD RELATED DB: PDB REMARK 900 CONSERVED HYPOTHETICAL PROTEIN TM0487 FROM REMARK 900 THERMOTOGA MARITIMA REMARK 999 REMARK 999 SEQUENCE REMARK 999 MET 1 AND PRO 2 ARE NOT INCLUDED IN THESE STRUCTURES. REMARK 999 THE MET1 IS NOT PRESENT IN THE RECOMBINANT PROTEIN. DBREF 1WCJ A 1 103 UNP Q9WYV7 Q9WYV7 2 104 SEQRES 1 A 103 PRO MET SER LYS LYS VAL THR LYS GLU ASP VAL LEU ASN SEQRES 2 A 103 ALA LEU LYS ASN VAL ILE ASP PHE GLU LEU GLY LEU ASP SEQRES 3 A 103 VAL VAL SER LEU GLY LEU VAL TYR ASP ILE GLN ILE ASP SEQRES 4 A 103 ASP GLN ASN ASN VAL LYS VAL LEU MET THR MET THR THR SEQRES 5 A 103 PRO MET CYS PRO LEU ALA GLY MET ILE LEU SER ASP ALA SEQRES 6 A 103 GLU GLU ALA ILE LYS LYS ILE GLU GLY VAL ASN ASN VAL SEQRES 7 A 103 GLU VAL GLU LEU THR PHE ASP PRO PRO TRP THR PRO GLU SEQRES 8 A 103 ARG MET SER PRO GLU LEU ARG GLU LYS PHE GLY VAL HELIX 1 1 THR A 7 LYS A 16 1 10 HELIX 2 2 ASP A 26 GLY A 31 1 6 HELIX 3 3 LEU A 57 LYS A 70 1 14 HELIX 4 4 THR A 89 MET A 93 5 5 HELIX 5 5 SER A 94 GLY A 102 1 9 SHEET 1 AA 3 ASP A 35 ILE A 38 0 SHEET 2 AA 3 ASN A 43 MET A 48 -1 O LYS A 45 N GLN A 37 SHEET 3 AA 3 ASN A 77 LEU A 82 1 O ASN A 77 N VAL A 44 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 Set 1.1: A 43 ASN : amide:sc= -2.76 X(o=-2.8,f=-2.5) USER MOD Set 1.2: A 76 ASN : amide:sc= 1.21 K(o=-2.8,f=-4.7) USER MOD Set 1.3: A 77 ASN : amide:sc= -1.26 K(o=-2.8,f=-14!) USER MOD Set 2.1: A 52 THR OG1 : rot 4:sc= -0.0225 USER MOD Set 2.2: A 54 MET CE :methyl 156:sc= 0 (180deg=-0.496) USER MOD Set 2.3: A 55 CYS SG : rot 80:sc= 0.787 USER MOD Single : A 2 MET CE :methyl -98:sc= -0.145 (180deg=-1.02) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 1.69 (180deg=1.59) USER MOD Single : A 7 THR OG1 : rot -73:sc= 0.196 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc=-0.00389 (180deg=-0.119) USER MOD Single : A 17 ASN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 37 GLN : amide:sc= 0.312 K(o=0.31,f=-5.1!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.164 F(o=-1.9,f=-0.16) USER MOD Single : A 42 ASN : amide:sc= 0.32 K(o=0.32,f=-7.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 124:sc= 1.27 USER MOD Single : A 50 MET CE :methyl -168:sc= 0 (180deg=-0.428) USER MOD Single : A 51 THR OG1 : rot 72:sc= 0.757 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 1.26 (180deg=0.984) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -170:sc= 0 USER MOD Single : A 89 THR OG1 : rot 64:sc= 1.31 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 2 18.799 15.409 -4.432 1.00 0.00 N ATOM 2 CA MET A 2 19.744 14.297 -4.384 1.00 0.00 C ATOM 3 C MET A 2 19.970 13.944 -2.918 1.00 0.00 C ATOM 4 O MET A 2 20.739 14.631 -2.236 1.00 0.00 O ATOM 5 CB MET A 2 21.047 14.705 -5.089 1.00 0.00 C ATOM 6 CG MET A 2 21.866 13.529 -5.628 1.00 0.00 C ATOM 7 SD MET A 2 22.055 12.099 -4.537 1.00 0.00 S ATOM 8 CE MET A 2 20.751 10.995 -5.160 1.00 0.00 C ATOM 0 HA MET A 2 19.359 13.419 -4.902 1.00 0.00 H new ATOM 0 HB2 MET A 2 20.805 15.373 -5.915 1.00 0.00 H new ATOM 0 HB3 MET A 2 21.663 15.271 -4.390 1.00 0.00 H new ATOM 0 HG2 MET A 2 21.404 13.190 -6.555 1.00 0.00 H new ATOM 0 HG3 MET A 2 22.860 13.896 -5.883 1.00 0.00 H new ATOM 0 HE1 MET A 2 19.865 11.088 -4.532 1.00 0.00 H new ATOM 0 HE2 MET A 2 20.501 11.270 -6.185 1.00 0.00 H new ATOM 0 HE3 MET A 2 21.105 9.964 -5.137 1.00 0.00 H new ATOM 18 N SER A 3 19.293 12.920 -2.396 1.00 0.00 N ATOM 19 CA SER A 3 19.429 12.554 -0.994 1.00 0.00 C ATOM 20 C SER A 3 19.049 11.090 -0.758 1.00 0.00 C ATOM 21 O SER A 3 18.476 10.456 -1.645 1.00 0.00 O ATOM 22 CB SER A 3 18.618 13.551 -0.163 1.00 0.00 C ATOM 23 OG SER A 3 17.243 13.524 -0.477 1.00 0.00 O ATOM 0 H SER A 3 18.648 12.334 -2.925 1.00 0.00 H new ATOM 0 HA SER A 3 20.470 12.618 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.750 13.328 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.005 14.556 -0.328 1.00 0.00 H new ATOM 0 HG SER A 3 16.767 14.175 0.080 1.00 0.00 H new ATOM 29 N LYS A 4 19.346 10.543 0.429 1.00 0.00 N ATOM 30 CA LYS A 4 19.086 9.144 0.790 1.00 0.00 C ATOM 31 C LYS A 4 18.442 9.080 2.168 1.00 0.00 C ATOM 32 O LYS A 4 18.989 8.485 3.097 1.00 0.00 O ATOM 33 CB LYS A 4 20.383 8.316 0.695 1.00 0.00 C ATOM 34 CG LYS A 4 20.602 7.875 -0.747 1.00 0.00 C ATOM 35 CD LYS A 4 21.950 7.173 -0.920 1.00 0.00 C ATOM 36 CE LYS A 4 22.112 6.803 -2.397 1.00 0.00 C ATOM 37 NZ LYS A 4 23.348 6.050 -2.668 1.00 0.00 N ATOM 0 H LYS A 4 19.784 11.074 1.182 1.00 0.00 H new ATOM 0 HA LYS A 4 18.383 8.702 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.231 8.909 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.319 7.445 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.799 7.203 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.555 8.743 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.762 7.826 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.996 6.280 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.254 6.209 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.108 7.713 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 23.404 5.827 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.171 6.623 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.344 5.166 -2.120 1.00 0.00 H new ATOM 48 N LYS A 5 17.260 9.674 2.302 1.00 0.00 N ATOM 49 CA LYS A 5 16.440 9.577 3.506 1.00 0.00 C ATOM 50 C LYS A 5 15.003 9.483 3.023 1.00 0.00 C ATOM 51 O LYS A 5 14.367 10.501 2.734 1.00 0.00 O ATOM 52 CB LYS A 5 16.741 10.732 4.476 1.00 0.00 C ATOM 53 CG LYS A 5 16.723 10.330 5.963 1.00 0.00 C ATOM 54 CD LYS A 5 15.342 10.129 6.614 1.00 0.00 C ATOM 55 CE LYS A 5 14.896 8.660 6.660 1.00 0.00 C ATOM 56 NZ LYS A 5 13.950 8.403 7.774 1.00 0.00 N ATOM 0 H LYS A 5 16.839 10.244 1.568 1.00 0.00 H new ATOM 0 HA LYS A 5 16.661 8.693 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.720 11.148 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.010 11.525 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.287 9.403 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.256 11.095 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.366 10.525 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.601 10.709 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.424 8.394 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.770 8.019 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.818 7.378 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.333 8.803 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.034 8.848 7.562 1.00 0.00 H new ATOM 67 N VAL A 6 14.545 8.252 2.840 1.00 0.00 N ATOM 68 CA VAL A 6 13.239 7.917 2.295 1.00 0.00 C ATOM 69 C VAL A 6 12.184 8.166 3.379 1.00 0.00 C ATOM 70 O VAL A 6 12.494 8.164 4.572 1.00 0.00 O ATOM 71 CB VAL A 6 13.311 6.461 1.780 1.00 0.00 C ATOM 72 CG1 VAL A 6 11.957 5.906 1.310 1.00 0.00 C ATOM 73 CG2 VAL A 6 14.300 6.383 0.608 1.00 0.00 C ATOM 0 H VAL A 6 15.096 7.427 3.077 1.00 0.00 H new ATOM 0 HA VAL A 6 12.949 8.538 1.448 1.00 0.00 H new ATOM 0 HB VAL A 6 13.636 5.853 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.085 4.881 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.249 5.923 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.575 6.520 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.352 5.357 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.963 7.037 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.288 6.699 0.944 1.00 0.00 H new ATOM 83 N THR A 7 10.939 8.411 2.974 1.00 0.00 N ATOM 84 CA THR A 7 9.881 8.903 3.845 1.00 0.00 C ATOM 85 C THR A 7 8.557 8.271 3.450 1.00 0.00 C ATOM 86 O THR A 7 8.406 7.672 2.383 1.00 0.00 O ATOM 87 CB THR A 7 9.782 10.433 3.668 1.00 0.00 C ATOM 88 OG1 THR A 7 9.484 10.718 2.313 1.00 0.00 O ATOM 89 CG2 THR A 7 11.066 11.155 4.062 1.00 0.00 C ATOM 0 H THR A 7 10.635 8.269 2.011 1.00 0.00 H new ATOM 0 HA THR A 7 10.104 8.650 4.882 1.00 0.00 H new ATOM 0 HB THR A 7 8.993 10.792 4.329 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.277 10.552 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.939 12.228 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.290 10.954 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.888 10.800 3.441 1.00 0.00 H new ATOM 97 N LYS A 8 7.567 8.445 4.321 1.00 0.00 N ATOM 98 CA LYS A 8 6.193 8.054 4.081 1.00 0.00 C ATOM 99 C LYS A 8 5.671 8.718 2.807 1.00 0.00 C ATOM 100 O LYS A 8 4.954 8.066 2.054 1.00 0.00 O ATOM 101 CB LYS A 8 5.352 8.383 5.331 1.00 0.00 C ATOM 102 CG LYS A 8 5.724 9.727 5.963 1.00 0.00 C ATOM 103 CD LYS A 8 4.685 10.303 6.926 1.00 0.00 C ATOM 104 CE LYS A 8 4.750 9.673 8.319 1.00 0.00 C ATOM 105 NZ LYS A 8 4.016 10.486 9.313 1.00 0.00 N ATOM 0 H LYS A 8 7.708 8.874 5.236 1.00 0.00 H new ATOM 0 HA LYS A 8 6.121 6.979 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.296 8.395 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.483 7.592 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.667 9.610 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.897 10.450 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.834 11.379 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.689 10.152 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.329 8.668 8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.791 9.572 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.079 10.033 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.435 11.437 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.018 10.561 9.031 1.00 0.00 H new ATOM 116 N GLU A 9 6.078 9.957 2.521 1.00 0.00 N ATOM 117 CA GLU A 9 5.713 10.677 1.311 1.00 0.00 C ATOM 118 C GLU A 9 6.158 9.893 0.079 1.00 0.00 C ATOM 119 O GLU A 9 5.367 9.682 -0.842 1.00 0.00 O ATOM 120 CB GLU A 9 6.393 12.059 1.316 1.00 0.00 C ATOM 121 CG GLU A 9 5.388 13.211 1.323 1.00 0.00 C ATOM 122 CD GLU A 9 4.873 13.446 2.737 1.00 0.00 C ATOM 123 OE1 GLU A 9 5.533 14.218 3.476 1.00 0.00 O ATOM 124 OE2 GLU A 9 3.866 12.806 3.111 1.00 0.00 O ATOM 0 H GLU A 9 6.684 10.494 3.141 1.00 0.00 H new ATOM 0 HA GLU A 9 4.630 10.799 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.037 12.139 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.034 12.147 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.859 14.118 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.556 12.982 0.658 1.00 0.00 H new ATOM 131 N ASP A 10 7.424 9.467 0.062 1.00 0.00 N ATOM 132 CA ASP A 10 8.059 8.860 -1.102 1.00 0.00 C ATOM 133 C ASP A 10 7.510 7.455 -1.321 1.00 0.00 C ATOM 134 O ASP A 10 7.359 7.021 -2.462 1.00 0.00 O ATOM 135 CB ASP A 10 9.581 8.797 -0.917 1.00 0.00 C ATOM 136 CG ASP A 10 10.271 10.157 -1.056 1.00 0.00 C ATOM 137 OD1 ASP A 10 9.971 10.913 -2.008 1.00 0.00 O ATOM 138 OD2 ASP A 10 11.144 10.480 -0.220 1.00 0.00 O ATOM 0 H ASP A 10 8.042 9.537 0.870 1.00 0.00 H new ATOM 0 HA ASP A 10 7.838 9.475 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.802 8.385 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.000 8.109 -1.652 1.00 0.00 H new ATOM 143 N VAL A 11 7.196 6.753 -0.232 1.00 0.00 N ATOM 144 CA VAL A 11 6.578 5.425 -0.223 1.00 0.00 C ATOM 145 C VAL A 11 5.155 5.482 -0.755 1.00 0.00 C ATOM 146 O VAL A 11 4.771 4.631 -1.559 1.00 0.00 O ATOM 147 CB VAL A 11 6.694 4.850 1.201 1.00 0.00 C ATOM 148 CG1 VAL A 11 5.940 3.528 1.406 1.00 0.00 C ATOM 149 CG2 VAL A 11 8.179 4.607 1.509 1.00 0.00 C ATOM 0 H VAL A 11 7.372 7.108 0.708 1.00 0.00 H new ATOM 0 HA VAL A 11 7.099 4.747 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 11 6.240 5.581 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.071 3.190 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.879 3.680 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.333 2.775 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.280 4.199 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.589 3.900 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.723 5.549 1.443 1.00 0.00 H new ATOM 159 N LEU A 12 4.386 6.503 -0.376 1.00 0.00 N ATOM 160 CA LEU A 12 3.040 6.693 -0.876 1.00 0.00 C ATOM 161 C LEU A 12 3.152 6.940 -2.370 1.00 0.00 C ATOM 162 O LEU A 12 2.553 6.223 -3.167 1.00 0.00 O ATOM 163 CB LEU A 12 2.380 7.865 -0.133 1.00 0.00 C ATOM 164 CG LEU A 12 1.924 7.484 1.288 1.00 0.00 C ATOM 165 CD1 LEU A 12 1.674 8.735 2.136 1.00 0.00 C ATOM 166 CD2 LEU A 12 0.637 6.652 1.266 1.00 0.00 C ATOM 0 H LEU A 12 4.686 7.218 0.287 1.00 0.00 H new ATOM 0 HA LEU A 12 2.410 5.820 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.084 8.696 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.521 8.215 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 12 2.728 6.891 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.353 8.439 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.594 9.316 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.897 9.341 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.347 6.403 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.159 7.226 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.807 5.734 0.703 1.00 0.00 H new ATOM 178 N ASN A 13 4.006 7.886 -2.759 1.00 0.00 N ATOM 179 CA ASN A 13 4.214 8.263 -4.142 1.00 0.00 C ATOM 180 C ASN A 13 4.696 7.112 -5.019 1.00 0.00 C ATOM 181 O ASN A 13 4.405 7.111 -6.215 1.00 0.00 O ATOM 182 CB ASN A 13 5.222 9.418 -4.186 1.00 0.00 C ATOM 183 CG ASN A 13 4.505 10.701 -4.547 1.00 0.00 C ATOM 184 OD1 ASN A 13 4.127 10.888 -5.697 1.00 0.00 O ATOM 185 ND2 ASN A 13 4.219 11.548 -3.573 1.00 0.00 N ATOM 0 H ASN A 13 4.580 8.417 -2.104 1.00 0.00 H new ATOM 0 HA ASN A 13 3.250 8.567 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.713 9.523 -3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.002 9.206 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.669 12.384 -3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.548 11.365 -2.625 1.00 0.00 H new ATOM 192 N ALA A 14 5.420 6.136 -4.473 1.00 0.00 N ATOM 193 CA ALA A 14 5.852 4.974 -5.226 1.00 0.00 C ATOM 194 C ALA A 14 4.658 4.059 -5.464 1.00 0.00 C ATOM 195 O ALA A 14 4.422 3.619 -6.590 1.00 0.00 O ATOM 196 CB ALA A 14 6.941 4.238 -4.452 1.00 0.00 C ATOM 0 H ALA A 14 5.720 6.134 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 14 6.259 5.286 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.264 3.365 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.790 4.904 -4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.548 3.918 -3.487 1.00 0.00 H new ATOM 202 N LEU A 15 3.906 3.772 -4.398 1.00 0.00 N ATOM 203 CA LEU A 15 2.778 2.853 -4.443 1.00 0.00 C ATOM 204 C LEU A 15 1.664 3.362 -5.354 1.00 0.00 C ATOM 205 O LEU A 15 0.997 2.542 -5.980 1.00 0.00 O ATOM 206 CB LEU A 15 2.236 2.598 -3.033 1.00 0.00 C ATOM 207 CG LEU A 15 3.125 1.662 -2.197 1.00 0.00 C ATOM 208 CD1 LEU A 15 2.746 1.786 -0.718 1.00 0.00 C ATOM 209 CD2 LEU A 15 2.960 0.202 -2.649 1.00 0.00 C ATOM 0 H LEU A 15 4.068 4.176 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 15 3.141 1.914 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.134 3.551 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.237 2.168 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 15 4.166 1.952 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.375 1.123 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.892 2.815 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.700 1.508 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.599 -0.441 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.920 -0.101 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.244 0.111 -3.697 1.00 0.00 H new ATOM 221 N LYS A 16 1.539 4.683 -5.530 1.00 0.00 N ATOM 222 CA LYS A 16 0.630 5.368 -6.461 1.00 0.00 C ATOM 223 C LYS A 16 0.810 4.982 -7.949 1.00 0.00 C ATOM 224 O LYS A 16 0.279 5.676 -8.818 1.00 0.00 O ATOM 225 CB LYS A 16 0.757 6.893 -6.255 1.00 0.00 C ATOM 226 CG LYS A 16 0.032 7.366 -4.987 1.00 0.00 C ATOM 227 CD LYS A 16 0.088 8.894 -4.827 1.00 0.00 C ATOM 228 CE LYS A 16 -1.289 9.464 -4.466 1.00 0.00 C ATOM 229 NZ LYS A 16 -2.241 9.347 -5.589 1.00 0.00 N ATOM 0 H LYS A 16 2.103 5.343 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.378 5.032 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.811 7.163 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.346 7.411 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.009 7.043 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.483 6.893 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.807 9.155 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.440 9.347 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.684 8.937 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.186 10.512 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.032 10.007 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.757 9.578 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.606 8.374 -5.635 1.00 0.00 H new ATOM 240 N ASN A 17 1.574 3.941 -8.280 1.00 0.00 N ATOM 241 CA ASN A 17 1.747 3.398 -9.628 1.00 0.00 C ATOM 242 C ASN A 17 1.021 2.062 -9.741 1.00 0.00 C ATOM 243 O ASN A 17 0.253 1.849 -10.681 1.00 0.00 O ATOM 244 CB ASN A 17 3.241 3.213 -9.940 1.00 0.00 C ATOM 245 CG ASN A 17 3.940 4.552 -10.107 1.00 0.00 C ATOM 246 OD1 ASN A 17 3.864 5.189 -11.155 1.00 0.00 O ATOM 247 ND2 ASN A 17 4.617 5.018 -9.074 1.00 0.00 N ATOM 0 H ASN A 17 2.115 3.429 -7.583 1.00 0.00 H new ATOM 0 HA ASN A 17 1.325 4.098 -10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.716 2.650 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.354 2.625 -10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.088 5.921 -9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.669 4.475 -8.212 1.00 0.00 H new ATOM 254 N VAL A 18 1.286 1.171 -8.782 1.00 0.00 N ATOM 255 CA VAL A 18 0.814 -0.204 -8.727 1.00 0.00 C ATOM 256 C VAL A 18 -0.717 -0.209 -8.672 1.00 0.00 C ATOM 257 O VAL A 18 -1.318 0.761 -8.215 1.00 0.00 O ATOM 258 CB VAL A 18 1.508 -0.854 -7.499 1.00 0.00 C ATOM 259 CG1 VAL A 18 0.886 -2.180 -7.036 1.00 0.00 C ATOM 260 CG2 VAL A 18 2.975 -1.124 -7.859 1.00 0.00 C ATOM 0 H VAL A 18 1.870 1.409 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 18 1.069 -0.790 -9.610 1.00 0.00 H new ATOM 0 HB VAL A 18 1.390 -0.149 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.436 -2.559 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.155 -2.016 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.935 -2.907 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.480 -1.581 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.022 -1.799 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.467 -0.184 -8.111 1.00 0.00 H new ATOM 270 N ILE A 19 -1.369 -1.298 -9.079 1.00 0.00 N ATOM 271 CA ILE A 19 -2.811 -1.460 -8.989 1.00 0.00 C ATOM 272 C ILE A 19 -3.089 -2.798 -8.312 1.00 0.00 C ATOM 273 O ILE A 19 -2.425 -3.801 -8.592 1.00 0.00 O ATOM 274 CB ILE A 19 -3.425 -1.364 -10.403 1.00 0.00 C ATOM 275 CG1 ILE A 19 -3.172 0.004 -11.075 1.00 0.00 C ATOM 276 CG2 ILE A 19 -4.925 -1.685 -10.434 1.00 0.00 C ATOM 277 CD1 ILE A 19 -3.925 1.203 -10.481 1.00 0.00 C ATOM 0 H ILE A 19 -0.896 -2.104 -9.487 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.272 -0.673 -8.392 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.905 -2.131 -10.978 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.104 0.215 -11.030 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.437 -0.078 -12.129 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.294 -1.599 -11.456 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.087 -2.701 -10.073 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.461 -0.983 -9.795 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.667 2.106 -11.035 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.999 1.029 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.645 1.327 -9.435 1.00 0.00 H new ATOM 289 N ASP A 20 -4.106 -2.809 -7.456 1.00 0.00 N ATOM 290 CA ASP A 20 -4.759 -4.020 -6.979 1.00 0.00 C ATOM 291 C ASP A 20 -5.619 -4.509 -8.134 1.00 0.00 C ATOM 292 O ASP A 20 -6.672 -3.915 -8.378 1.00 0.00 O ATOM 293 CB ASP A 20 -5.663 -3.731 -5.762 1.00 0.00 C ATOM 294 CG ASP A 20 -4.986 -3.888 -4.406 1.00 0.00 C ATOM 295 OD1 ASP A 20 -3.739 -3.923 -4.322 1.00 0.00 O ATOM 296 OD2 ASP A 20 -5.719 -3.981 -3.397 1.00 0.00 O ATOM 0 H ASP A 20 -4.507 -1.956 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.018 -4.755 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.045 -2.713 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.524 -4.398 -5.801 1.00 0.00 H new ATOM 301 N PHE A 21 -5.190 -5.548 -8.862 1.00 0.00 N ATOM 302 CA PHE A 21 -5.912 -6.076 -10.025 1.00 0.00 C ATOM 303 C PHE A 21 -7.402 -6.263 -9.729 1.00 0.00 C ATOM 304 O PHE A 21 -8.251 -5.848 -10.515 1.00 0.00 O ATOM 305 CB PHE A 21 -5.318 -7.419 -10.481 1.00 0.00 C ATOM 306 CG PHE A 21 -4.017 -7.320 -11.245 1.00 0.00 C ATOM 307 CD1 PHE A 21 -4.025 -6.925 -12.598 1.00 0.00 C ATOM 308 CD2 PHE A 21 -2.800 -7.650 -10.623 1.00 0.00 C ATOM 309 CE1 PHE A 21 -2.819 -6.835 -13.315 1.00 0.00 C ATOM 310 CE2 PHE A 21 -1.600 -7.569 -11.345 1.00 0.00 C ATOM 311 CZ PHE A 21 -1.603 -7.151 -12.686 1.00 0.00 C ATOM 0 H PHE A 21 -4.325 -6.049 -8.658 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.802 -5.341 -10.822 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.159 -8.045 -9.603 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.051 -7.929 -11.107 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.960 -6.691 -13.085 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.789 -7.966 -9.590 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.827 -6.523 -14.349 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.668 -7.830 -10.867 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.674 -7.073 -13.231 1.00 0.00 H new ATOM 321 N GLU A 22 -7.713 -6.842 -8.567 1.00 0.00 N ATOM 322 CA GLU A 22 -9.041 -7.220 -8.123 1.00 0.00 C ATOM 323 C GLU A 22 -9.997 -6.028 -7.971 1.00 0.00 C ATOM 324 O GLU A 22 -11.221 -6.211 -7.966 1.00 0.00 O ATOM 325 CB GLU A 22 -8.815 -7.986 -6.807 1.00 0.00 C ATOM 326 CG GLU A 22 -10.060 -8.492 -6.074 1.00 0.00 C ATOM 327 CD GLU A 22 -10.897 -9.531 -6.829 1.00 0.00 C ATOM 328 OE1 GLU A 22 -10.775 -9.680 -8.066 1.00 0.00 O ATOM 329 OE2 GLU A 22 -11.728 -10.211 -6.181 1.00 0.00 O ATOM 0 H GLU A 22 -6.997 -7.069 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.545 -7.838 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.176 -8.843 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.263 -7.337 -6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.749 -8.924 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.696 -7.638 -5.843 1.00 0.00 H new ATOM 336 N LEU A 23 -9.464 -4.806 -7.876 1.00 0.00 N ATOM 337 CA LEU A 23 -10.230 -3.581 -7.675 1.00 0.00 C ATOM 338 C LEU A 23 -10.076 -2.651 -8.869 1.00 0.00 C ATOM 339 O LEU A 23 -11.067 -2.083 -9.325 1.00 0.00 O ATOM 340 CB LEU A 23 -9.765 -2.855 -6.403 1.00 0.00 C ATOM 341 CG LEU A 23 -10.326 -3.369 -5.064 1.00 0.00 C ATOM 342 CD1 LEU A 23 -11.858 -3.384 -5.026 1.00 0.00 C ATOM 343 CD2 LEU A 23 -9.770 -4.731 -4.649 1.00 0.00 C ATOM 0 H LEU A 23 -8.459 -4.642 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.279 -3.857 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.677 -2.910 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.027 -1.801 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.978 -2.642 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.194 -3.756 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.236 -2.373 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.235 -4.034 -5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.210 -5.029 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.016 -5.472 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.687 -4.665 -4.544 1.00 0.00 H new ATOM 355 N GLY A 24 -8.851 -2.445 -9.347 1.00 0.00 N ATOM 356 CA GLY A 24 -8.552 -1.595 -10.485 1.00 0.00 C ATOM 357 C GLY A 24 -8.052 -0.212 -10.074 1.00 0.00 C ATOM 358 O GLY A 24 -7.976 0.674 -10.928 1.00 0.00 O ATOM 0 H GLY A 24 -8.022 -2.878 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.799 -2.079 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.448 -1.486 -11.097 1.00 0.00 H new ATOM 362 N LEU A 25 -7.687 -0.004 -8.805 1.00 0.00 N ATOM 363 CA LEU A 25 -7.120 1.244 -8.304 1.00 0.00 C ATOM 364 C LEU A 25 -5.847 0.958 -7.508 1.00 0.00 C ATOM 365 O LEU A 25 -5.543 -0.200 -7.222 1.00 0.00 O ATOM 366 CB LEU A 25 -8.166 1.998 -7.458 1.00 0.00 C ATOM 367 CG LEU A 25 -8.564 3.385 -8.002 1.00 0.00 C ATOM 368 CD1 LEU A 25 -7.379 4.335 -8.218 1.00 0.00 C ATOM 369 CD2 LEU A 25 -9.361 3.296 -9.311 1.00 0.00 C ATOM 0 H LEU A 25 -7.781 -0.719 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.850 1.884 -9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.063 1.383 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.776 2.119 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.193 3.801 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.742 5.288 -8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.865 4.497 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.686 3.895 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.616 4.300 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.759 2.798 -10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.275 2.727 -9.142 1.00 0.00 H new ATOM 381 N ASP A 26 -5.105 2.012 -7.155 1.00 0.00 N ATOM 382 CA ASP A 26 -3.878 1.884 -6.371 1.00 0.00 C ATOM 383 C ASP A 26 -4.248 1.792 -4.894 1.00 0.00 C ATOM 384 O ASP A 26 -5.276 2.329 -4.465 1.00 0.00 O ATOM 385 CB ASP A 26 -2.910 3.053 -6.647 1.00 0.00 C ATOM 386 CG ASP A 26 -2.671 3.996 -5.476 1.00 0.00 C ATOM 387 OD1 ASP A 26 -1.756 3.726 -4.675 1.00 0.00 O ATOM 388 OD2 ASP A 26 -3.351 5.045 -5.394 1.00 0.00 O ATOM 0 H ASP A 26 -5.339 2.973 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.352 0.975 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.951 2.641 -6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.298 3.633 -7.485 1.00 0.00 H new ATOM 393 N VAL A 27 -3.398 1.146 -4.107 1.00 0.00 N ATOM 394 CA VAL A 27 -3.548 0.975 -2.681 1.00 0.00 C ATOM 395 C VAL A 27 -3.758 2.302 -1.962 1.00 0.00 C ATOM 396 O VAL A 27 -4.594 2.364 -1.065 1.00 0.00 O ATOM 397 CB VAL A 27 -2.343 0.209 -2.119 1.00 0.00 C ATOM 398 CG1 VAL A 27 -2.187 -1.158 -2.781 1.00 0.00 C ATOM 399 CG2 VAL A 27 -1.026 0.988 -2.231 1.00 0.00 C ATOM 0 H VAL A 27 -2.550 0.710 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.449 0.388 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.556 0.073 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.324 -1.671 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.084 -1.752 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.042 -1.028 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.214 0.391 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.819 1.204 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.108 1.923 -1.677 1.00 0.00 H new ATOM 409 N VAL A 28 -3.008 3.357 -2.274 1.00 0.00 N ATOM 410 CA VAL A 28 -3.113 4.646 -1.605 1.00 0.00 C ATOM 411 C VAL A 28 -4.533 5.177 -1.813 1.00 0.00 C ATOM 412 O VAL A 28 -5.158 5.648 -0.866 1.00 0.00 O ATOM 413 CB VAL A 28 -1.988 5.591 -2.098 1.00 0.00 C ATOM 414 CG1 VAL A 28 -2.082 6.966 -1.420 1.00 0.00 C ATOM 415 CG2 VAL A 28 -0.611 4.979 -1.780 1.00 0.00 C ATOM 0 H VAL A 28 -2.301 3.337 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.960 4.562 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.107 5.716 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.280 7.607 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.045 7.421 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.988 6.847 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.174 5.649 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.515 4.838 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.516 4.016 -2.282 1.00 0.00 H new ATOM 425 N SER A 29 -5.088 4.997 -3.011 1.00 0.00 N ATOM 426 CA SER A 29 -6.469 5.316 -3.318 1.00 0.00 C ATOM 427 C SER A 29 -7.439 4.415 -2.552 1.00 0.00 C ATOM 428 O SER A 29 -8.458 4.894 -2.051 1.00 0.00 O ATOM 429 CB SER A 29 -6.688 5.230 -4.829 1.00 0.00 C ATOM 430 OG SER A 29 -6.641 6.531 -5.389 1.00 0.00 O ATOM 0 H SER A 29 -4.574 4.618 -3.806 1.00 0.00 H new ATOM 0 HA SER A 29 -6.675 6.336 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.923 4.600 -5.283 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.651 4.766 -5.042 1.00 0.00 H new ATOM 0 HG SER A 29 -6.780 6.475 -6.358 1.00 0.00 H new ATOM 436 N LEU A 30 -7.158 3.121 -2.444 1.00 0.00 N ATOM 437 CA LEU A 30 -7.974 2.187 -1.672 1.00 0.00 C ATOM 438 C LEU A 30 -7.923 2.464 -0.167 1.00 0.00 C ATOM 439 O LEU A 30 -8.828 2.047 0.547 1.00 0.00 O ATOM 440 CB LEU A 30 -7.504 0.755 -1.959 1.00 0.00 C ATOM 441 CG LEU A 30 -8.386 0.034 -2.987 1.00 0.00 C ATOM 442 CD1 LEU A 30 -7.539 -0.879 -3.877 1.00 0.00 C ATOM 443 CD2 LEU A 30 -9.455 -0.772 -2.241 1.00 0.00 C ATOM 0 H LEU A 30 -6.352 2.686 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.011 2.318 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.477 0.781 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.499 0.186 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.870 0.767 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.182 -1.382 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.795 -0.283 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.036 -1.623 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.089 -1.290 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.973 -1.502 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.065 -0.098 -1.639 1.00 0.00 H new ATOM 455 N GLY A 31 -6.899 3.160 0.326 1.00 0.00 N ATOM 456 CA GLY A 31 -6.723 3.453 1.739 1.00 0.00 C ATOM 457 C GLY A 31 -6.524 2.176 2.560 1.00 0.00 C ATOM 458 O GLY A 31 -7.360 1.883 3.411 1.00 0.00 O ATOM 0 H GLY A 31 -6.157 3.541 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.862 4.108 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.594 3.993 2.110 1.00 0.00 H new ATOM 462 N LEU A 32 -5.448 1.416 2.312 1.00 0.00 N ATOM 463 CA LEU A 32 -5.116 0.188 3.052 1.00 0.00 C ATOM 464 C LEU A 32 -3.942 0.399 3.993 1.00 0.00 C ATOM 465 O LEU A 32 -3.889 -0.246 5.040 1.00 0.00 O ATOM 466 CB LEU A 32 -4.776 -0.988 2.125 1.00 0.00 C ATOM 467 CG LEU A 32 -5.865 -1.301 1.081 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.270 -1.099 -0.311 1.00 0.00 C ATOM 469 CD2 LEU A 32 -6.408 -2.720 1.215 1.00 0.00 C ATOM 0 H LEU A 32 -4.773 1.640 1.581 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.014 -0.054 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.843 -0.770 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.603 -1.877 2.732 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.705 -0.626 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.027 -1.316 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.937 -0.067 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.421 -1.770 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.172 -2.890 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.596 -3.435 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.844 -2.851 2.205 1.00 0.00 H new ATOM 481 N VAL A 33 -2.996 1.271 3.639 1.00 0.00 N ATOM 482 CA VAL A 33 -1.893 1.636 4.489 1.00 0.00 C ATOM 483 C VAL A 33 -2.468 2.350 5.717 1.00 0.00 C ATOM 484 O VAL A 33 -2.935 3.492 5.664 1.00 0.00 O ATOM 485 CB VAL A 33 -0.845 2.451 3.703 1.00 0.00 C ATOM 486 CG1 VAL A 33 -0.104 1.567 2.687 1.00 0.00 C ATOM 487 CG2 VAL A 33 -1.358 3.720 2.992 1.00 0.00 C ATOM 0 H VAL A 33 -2.987 1.744 2.735 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.347 0.761 4.842 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.171 2.808 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.628 2.168 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.405 0.759 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.820 1.147 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.531 4.207 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.127 3.447 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.779 4.405 3.728 1.00 0.00 H new ATOM 497 N TYR A 34 -2.518 1.611 6.814 1.00 0.00 N ATOM 498 CA TYR A 34 -2.909 2.066 8.125 1.00 0.00 C ATOM 499 C TYR A 34 -1.853 3.051 8.623 1.00 0.00 C ATOM 500 O TYR A 34 -2.182 4.205 8.909 1.00 0.00 O ATOM 501 CB TYR A 34 -3.072 0.828 9.022 1.00 0.00 C ATOM 502 CG TYR A 34 -4.457 0.230 9.003 1.00 0.00 C ATOM 503 CD1 TYR A 34 -5.552 0.989 9.466 1.00 0.00 C ATOM 504 CD2 TYR A 34 -4.644 -1.101 8.595 1.00 0.00 C ATOM 505 CE1 TYR A 34 -6.837 0.424 9.542 1.00 0.00 C ATOM 506 CE2 TYR A 34 -5.935 -1.657 8.664 1.00 0.00 C ATOM 507 CZ TYR A 34 -7.028 -0.918 9.162 1.00 0.00 C ATOM 508 OH TYR A 34 -8.241 -1.521 9.251 1.00 0.00 O ATOM 0 H TYR A 34 -2.271 0.621 6.805 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.862 2.595 8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.356 0.069 8.708 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.820 1.100 10.047 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.402 2.016 9.765 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.812 -1.687 8.235 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.671 1.015 9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.092 -2.671 8.328 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.169 -2.448 8.941 1.00 0.00 H new ATOM 518 N ASP A 35 -0.582 2.634 8.643 1.00 0.00 N ATOM 519 CA ASP A 35 0.516 3.359 9.286 1.00 0.00 C ATOM 520 C ASP A 35 1.781 3.215 8.451 1.00 0.00 C ATOM 521 O ASP A 35 1.970 2.167 7.838 1.00 0.00 O ATOM 522 CB ASP A 35 0.795 2.719 10.651 1.00 0.00 C ATOM 523 CG ASP A 35 1.231 3.696 11.737 1.00 0.00 C ATOM 524 OD1 ASP A 35 1.040 4.926 11.595 1.00 0.00 O ATOM 525 OD2 ASP A 35 1.714 3.206 12.780 1.00 0.00 O ATOM 0 H ASP A 35 -0.283 1.764 8.203 1.00 0.00 H new ATOM 0 HA ASP A 35 0.242 4.409 9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.105 2.203 10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.570 1.962 10.530 1.00 0.00 H new ATOM 530 N ILE A 36 2.655 4.219 8.426 1.00 0.00 N ATOM 531 CA ILE A 36 3.870 4.243 7.606 1.00 0.00 C ATOM 532 C ILE A 36 4.962 4.952 8.420 1.00 0.00 C ATOM 533 O ILE A 36 4.917 6.180 8.559 1.00 0.00 O ATOM 534 CB ILE A 36 3.607 4.952 6.250 1.00 0.00 C ATOM 535 CG1 ILE A 36 2.492 4.331 5.377 1.00 0.00 C ATOM 536 CG2 ILE A 36 4.896 4.955 5.415 1.00 0.00 C ATOM 537 CD1 ILE A 36 1.906 5.324 4.378 1.00 0.00 C ATOM 0 H ILE A 36 2.537 5.061 8.989 1.00 0.00 H new ATOM 0 HA ILE A 36 4.192 3.230 7.363 1.00 0.00 H new ATOM 0 HB ILE A 36 3.271 5.952 6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.894 3.473 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.696 3.958 6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.712 5.453 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.679 5.486 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.214 3.928 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.128 4.834 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.477 6.170 4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.693 5.678 3.712 1.00 0.00 H new ATOM 549 N GLN A 37 5.933 4.190 8.936 1.00 0.00 N ATOM 550 CA GLN A 37 7.115 4.604 9.657 1.00 0.00 C ATOM 551 C GLN A 37 8.313 4.281 8.789 1.00 0.00 C ATOM 552 O GLN A 37 8.361 3.216 8.177 1.00 0.00 O ATOM 553 CB GLN A 37 7.232 3.756 10.928 1.00 0.00 C ATOM 554 CG GLN A 37 6.345 4.306 12.028 1.00 0.00 C ATOM 555 CD GLN A 37 4.878 3.928 11.871 1.00 0.00 C ATOM 556 OE1 GLN A 37 4.127 4.617 11.193 1.00 0.00 O ATOM 557 NE2 GLN A 37 4.426 2.850 12.489 1.00 0.00 N ATOM 0 H GLN A 37 5.896 3.175 8.844 1.00 0.00 H new ATOM 0 HA GLN A 37 7.065 5.665 9.902 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.951 2.726 10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.268 3.739 11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.705 3.942 12.990 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.432 5.392 12.045 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.059 2.282 13.052 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.444 2.587 12.403 1.00 0.00 H new ATOM 566 N ILE A 38 9.287 5.176 8.737 1.00 0.00 N ATOM 567 CA ILE A 38 10.450 5.005 7.896 1.00 0.00 C ATOM 568 C ILE A 38 11.656 5.398 8.727 1.00 0.00 C ATOM 569 O ILE A 38 11.931 6.587 8.913 1.00 0.00 O ATOM 570 CB ILE A 38 10.322 5.820 6.607 1.00 0.00 C ATOM 571 CG1 ILE A 38 8.890 5.869 6.039 1.00 0.00 C ATOM 572 CG2 ILE A 38 11.374 5.345 5.592 1.00 0.00 C ATOM 573 CD1 ILE A 38 8.256 4.696 5.311 1.00 0.00 C ATOM 0 H ILE A 38 9.289 6.040 9.279 1.00 0.00 H new ATOM 0 HA ILE A 38 10.556 3.971 7.569 1.00 0.00 H new ATOM 0 HB ILE A 38 10.529 6.863 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.232 6.109 6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.856 6.716 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.282 5.926 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.371 5.482 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.216 4.290 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.245 4.963 5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.851 4.449 4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.217 3.833 5.976 1.00 0.00 H new ATOM 585 N ASP A 39 12.349 4.390 9.250 1.00 0.00 N ATOM 586 CA ASP A 39 13.530 4.592 10.081 1.00 0.00 C ATOM 587 C ASP A 39 14.576 5.389 9.304 1.00 0.00 C ATOM 588 O ASP A 39 14.517 5.527 8.079 1.00 0.00 O ATOM 589 CB ASP A 39 14.105 3.234 10.496 1.00 0.00 C ATOM 590 CG ASP A 39 14.986 3.235 11.747 1.00 0.00 C ATOM 591 OD1 ASP A 39 15.366 4.302 12.278 1.00 0.00 O ATOM 592 OD2 ASP A 39 15.299 2.113 12.198 1.00 0.00 O ATOM 0 H ASP A 39 12.106 3.409 9.109 1.00 0.00 H new ATOM 0 HA ASP A 39 13.253 5.149 10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.276 2.545 10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.689 2.839 9.665 1.00 0.00 H new ATOM 597 N ASP A 40 15.578 5.890 10.004 1.00 0.00 N ATOM 598 CA ASP A 40 16.645 6.707 9.433 1.00 0.00 C ATOM 599 C ASP A 40 17.707 5.833 8.774 1.00 0.00 C ATOM 600 O ASP A 40 18.506 6.300 7.971 1.00 0.00 O ATOM 601 CB ASP A 40 17.204 7.639 10.504 1.00 0.00 C ATOM 602 CG ASP A 40 16.271 8.820 10.798 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.144 8.891 10.248 1.00 0.00 O ATOM 604 OD2 ASP A 40 16.689 9.702 11.585 1.00 0.00 O ATOM 0 H ASP A 40 15.679 5.739 11.008 1.00 0.00 H new ATOM 0 HA ASP A 40 16.245 7.335 8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.371 7.075 11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.174 8.018 10.182 1.00 0.00 H new ATOM 609 N GLN A 41 17.630 4.523 9.002 1.00 0.00 N ATOM 610 CA GLN A 41 18.265 3.505 8.182 1.00 0.00 C ATOM 611 C GLN A 41 17.362 3.104 7.000 1.00 0.00 C ATOM 612 O GLN A 41 17.535 2.028 6.441 1.00 0.00 O ATOM 613 CB GLN A 41 18.692 2.330 9.084 1.00 0.00 C ATOM 614 CG GLN A 41 19.570 2.655 10.306 1.00 0.00 C ATOM 615 CD GLN A 41 20.940 3.240 9.984 1.00 0.00 C ATOM 616 OE1 GLN A 41 20.987 4.348 9.284 1.00 0.00 O flip ATOM 617 NE2 GLN A 41 21.979 2.711 10.361 1.00 0.00 N flip ATOM 0 H GLN A 41 17.107 4.134 9.787 1.00 0.00 H new ATOM 0 HA GLN A 41 19.171 3.896 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 41 17.789 1.834 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 41 19.228 1.609 8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.033 3.358 10.942 1.00 0.00 H new ATOM 0 HG3 GLN A 41 19.709 1.743 10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 41 21.944 1.849 10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 41 22.879 3.132 10.130 1.00 0.00 H new ATOM 626 N ASN A 42 16.383 3.935 6.617 1.00 0.00 N ATOM 627 CA ASN A 42 15.467 3.817 5.476 1.00 0.00 C ATOM 628 C ASN A 42 14.772 2.459 5.448 1.00 0.00 C ATOM 629 O ASN A 42 14.454 1.917 4.386 1.00 0.00 O ATOM 630 CB ASN A 42 16.144 4.150 4.141 1.00 0.00 C ATOM 631 CG ASN A 42 16.623 5.573 4.051 1.00 0.00 C ATOM 632 OD1 ASN A 42 16.020 6.480 4.614 1.00 0.00 O ATOM 633 ND2 ASN A 42 17.619 5.816 3.233 1.00 0.00 N ATOM 0 H ASN A 42 16.196 4.785 7.148 1.00 0.00 H new ATOM 0 HA ASN A 42 14.692 4.570 5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.991 3.480 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.442 3.959 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.908 6.777 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.105 5.044 2.777 1.00 0.00 H new ATOM 640 N ASN A 43 14.513 1.921 6.641 1.00 0.00 N ATOM 641 CA ASN A 43 13.686 0.742 6.841 1.00 0.00 C ATOM 642 C ASN A 43 12.256 1.213 6.601 1.00 0.00 C ATOM 643 O ASN A 43 11.670 1.850 7.478 1.00 0.00 O ATOM 644 CB ASN A 43 13.802 0.194 8.276 1.00 0.00 C ATOM 645 CG ASN A 43 15.160 -0.330 8.755 1.00 0.00 C ATOM 646 OD1 ASN A 43 15.189 -1.270 9.543 1.00 0.00 O ATOM 647 ND2 ASN A 43 16.281 0.270 8.381 1.00 0.00 N ATOM 0 H ASN A 43 14.883 2.305 7.510 1.00 0.00 H new ATOM 0 HA ASN A 43 13.995 -0.061 6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.494 0.986 8.958 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.080 -0.616 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.177 -0.049 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 43 16.247 1.051 7.725 1.00 0.00 H new ATOM 654 N VAL A 44 11.750 1.046 5.385 1.00 0.00 N ATOM 655 CA VAL A 44 10.403 1.446 5.013 1.00 0.00 C ATOM 656 C VAL A 44 9.431 0.439 5.632 1.00 0.00 C ATOM 657 O VAL A 44 9.505 -0.743 5.288 1.00 0.00 O ATOM 658 CB VAL A 44 10.361 1.514 3.475 1.00 0.00 C ATOM 659 CG1 VAL A 44 8.930 1.492 2.923 1.00 0.00 C ATOM 660 CG2 VAL A 44 11.093 2.775 2.989 1.00 0.00 C ATOM 0 H VAL A 44 12.274 0.622 4.620 1.00 0.00 H new ATOM 0 HA VAL A 44 10.111 2.428 5.386 1.00 0.00 H new ATOM 0 HB VAL A 44 10.863 0.623 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.959 1.542 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.435 0.571 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.377 2.348 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.060 2.818 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.608 3.659 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.131 2.743 3.320 1.00 0.00 H new ATOM 670 N LYS A 45 8.553 0.875 6.553 1.00 0.00 N ATOM 671 CA LYS A 45 7.818 -0.051 7.403 1.00 0.00 C ATOM 672 C LYS A 45 6.365 0.363 7.512 1.00 0.00 C ATOM 673 O LYS A 45 6.029 1.404 8.081 1.00 0.00 O ATOM 674 CB LYS A 45 8.540 -0.108 8.742 1.00 0.00 C ATOM 675 CG LYS A 45 7.734 -0.800 9.837 1.00 0.00 C ATOM 676 CD LYS A 45 8.703 -1.455 10.818 1.00 0.00 C ATOM 677 CE LYS A 45 7.858 -1.680 12.049 1.00 0.00 C ATOM 678 NZ LYS A 45 8.617 -2.288 13.158 1.00 0.00 N ATOM 0 H LYS A 45 8.343 1.859 6.720 1.00 0.00 H new ATOM 0 HA LYS A 45 7.795 -1.055 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.488 -0.631 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.777 0.907 9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.102 -0.078 10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.072 -1.549 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.099 -2.392 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.557 -0.811 11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.442 -0.728 12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.016 -2.324 11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.989 -2.420 13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.993 -3.210 12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.405 -1.663 13.423 1.00 0.00 H new ATOM 689 N VAL A 46 5.500 -0.455 6.933 1.00 0.00 N ATOM 690 CA VAL A 46 4.129 -0.089 6.648 1.00 0.00 C ATOM 691 C VAL A 46 3.210 -1.129 7.254 1.00 0.00 C ATOM 692 O VAL A 46 3.347 -2.308 6.942 1.00 0.00 O ATOM 693 CB VAL A 46 3.914 0.030 5.126 1.00 0.00 C ATOM 694 CG1 VAL A 46 2.524 0.621 4.874 1.00 0.00 C ATOM 695 CG2 VAL A 46 4.988 0.891 4.441 1.00 0.00 C ATOM 0 H VAL A 46 5.738 -1.404 6.645 1.00 0.00 H new ATOM 0 HA VAL A 46 3.903 0.882 7.087 1.00 0.00 H new ATOM 0 HB VAL A 46 3.994 -0.967 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.356 0.712 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.767 -0.033 5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.458 1.606 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.787 0.940 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.970 1.897 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.970 0.447 4.606 1.00 0.00 H new ATOM 705 N LEU A 47 2.240 -0.684 8.049 1.00 0.00 N ATOM 706 CA LEU A 47 1.047 -1.451 8.361 1.00 0.00 C ATOM 707 C LEU A 47 0.143 -1.294 7.165 1.00 0.00 C ATOM 708 O LEU A 47 -0.459 -0.240 6.969 1.00 0.00 O ATOM 709 CB LEU A 47 0.393 -0.979 9.664 1.00 0.00 C ATOM 710 CG LEU A 47 0.806 -1.862 10.847 1.00 0.00 C ATOM 711 CD1 LEU A 47 2.314 -1.852 11.133 1.00 0.00 C ATOM 712 CD2 LEU A 47 0.050 -1.429 12.107 1.00 0.00 C ATOM 0 H LEU A 47 2.265 0.232 8.498 1.00 0.00 H new ATOM 0 HA LEU A 47 1.276 -2.502 8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.677 0.054 9.862 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.691 -0.996 9.556 1.00 0.00 H new ATOM 0 HG LEU A 47 0.547 -2.883 10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.527 -2.500 11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.853 -2.213 10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.634 -0.836 11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.347 -2.060 12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.286 -0.389 12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.023 -1.529 11.940 1.00 0.00 H new ATOM 724 N MET A 48 0.084 -2.336 6.345 1.00 0.00 N ATOM 725 CA MET A 48 -0.939 -2.493 5.339 1.00 0.00 C ATOM 726 C MET A 48 -1.711 -3.766 5.667 1.00 0.00 C ATOM 727 O MET A 48 -1.442 -4.482 6.644 1.00 0.00 O ATOM 728 CB MET A 48 -0.316 -2.495 3.930 1.00 0.00 C ATOM 729 CG MET A 48 -1.274 -1.883 2.899 1.00 0.00 C ATOM 730 SD MET A 48 -0.642 -1.762 1.208 1.00 0.00 S ATOM 731 CE MET A 48 -1.333 -3.302 0.544 1.00 0.00 C ATOM 0 H MET A 48 0.758 -3.101 6.367 1.00 0.00 H new ATOM 0 HA MET A 48 -1.637 -1.656 5.342 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.618 -1.933 3.942 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.069 -3.516 3.640 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.188 -2.477 2.883 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.549 -0.884 3.236 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.048 -3.407 -0.503 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.947 -4.149 1.112 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.420 -3.277 0.624 1.00 0.00 H new ATOM 741 N THR A 49 -2.722 -4.009 4.857 1.00 0.00 N ATOM 742 CA THR A 49 -3.496 -5.231 4.824 1.00 0.00 C ATOM 743 C THR A 49 -4.143 -5.306 3.431 1.00 0.00 C ATOM 744 O THR A 49 -3.728 -4.577 2.526 1.00 0.00 O ATOM 745 CB THR A 49 -4.432 -5.251 6.043 1.00 0.00 C ATOM 746 OG1 THR A 49 -5.094 -6.492 6.134 1.00 0.00 O ATOM 747 CG2 THR A 49 -5.433 -4.104 6.041 1.00 0.00 C ATOM 0 H THR A 49 -3.041 -3.325 4.171 1.00 0.00 H new ATOM 0 HA THR A 49 -2.916 -6.148 4.929 1.00 0.00 H new ATOM 0 HB THR A 49 -3.806 -5.113 6.925 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.923 -6.890 7.013 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.066 -4.172 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.898 -3.154 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.053 -4.163 5.146 1.00 0.00 H new ATOM 755 N MET A 50 -5.109 -6.202 3.234 1.00 0.00 N ATOM 756 CA MET A 50 -5.929 -6.311 2.031 1.00 0.00 C ATOM 757 C MET A 50 -7.378 -6.019 2.419 1.00 0.00 C ATOM 758 O MET A 50 -7.724 -6.087 3.605 1.00 0.00 O ATOM 759 CB MET A 50 -5.791 -7.733 1.452 1.00 0.00 C ATOM 760 CG MET A 50 -4.546 -7.860 0.573 1.00 0.00 C ATOM 761 SD MET A 50 -4.724 -7.014 -1.008 1.00 0.00 S ATOM 762 CE MET A 50 -2.987 -6.780 -1.447 1.00 0.00 C ATOM 0 H MET A 50 -5.351 -6.900 3.938 1.00 0.00 H new ATOM 0 HA MET A 50 -5.607 -5.600 1.270 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.738 -8.455 2.267 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.678 -7.977 0.867 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.687 -7.451 1.105 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.338 -8.915 0.395 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.914 -6.089 -2.286 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.448 -6.372 -0.592 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.550 -7.739 -1.727 1.00 0.00 H new ATOM 772 N THR A 51 -8.255 -5.766 1.439 1.00 0.00 N ATOM 773 CA THR A 51 -9.695 -5.733 1.701 1.00 0.00 C ATOM 774 C THR A 51 -10.122 -7.028 2.390 1.00 0.00 C ATOM 775 O THR A 51 -10.862 -6.986 3.378 1.00 0.00 O ATOM 776 CB THR A 51 -10.512 -5.445 0.418 1.00 0.00 C ATOM 777 OG1 THR A 51 -11.904 -5.493 0.643 1.00 0.00 O ATOM 778 CG2 THR A 51 -10.188 -6.312 -0.802 1.00 0.00 C ATOM 0 H THR A 51 -7.995 -5.584 0.470 1.00 0.00 H new ATOM 0 HA THR A 51 -9.909 -4.904 2.376 1.00 0.00 H new ATOM 0 HB THR A 51 -10.193 -4.432 0.171 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.180 -4.705 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.823 -6.017 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.142 -6.177 -1.077 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.368 -7.360 -0.562 1.00 0.00 H new ATOM 786 N THR A 52 -9.669 -8.175 1.872 1.00 0.00 N ATOM 787 CA THR A 52 -10.165 -9.481 2.268 1.00 0.00 C ATOM 788 C THR A 52 -9.064 -10.527 2.049 1.00 0.00 C ATOM 789 O THR A 52 -8.307 -10.391 1.088 1.00 0.00 O ATOM 790 CB THR A 52 -11.389 -9.817 1.391 1.00 0.00 C ATOM 791 OG1 THR A 52 -11.025 -9.874 0.021 1.00 0.00 O ATOM 792 CG2 THR A 52 -12.518 -8.781 1.483 1.00 0.00 C ATOM 0 H THR A 52 -8.940 -8.214 1.159 1.00 0.00 H new ATOM 0 HA THR A 52 -10.449 -9.481 3.320 1.00 0.00 H new ATOM 0 HB THR A 52 -11.743 -10.776 1.770 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.057 -9.749 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.344 -9.085 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.867 -8.713 2.514 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.146 -7.808 1.161 1.00 0.00 H new ATOM 800 N PRO A 53 -9.016 -11.639 2.798 1.00 0.00 N ATOM 801 CA PRO A 53 -8.065 -12.718 2.538 1.00 0.00 C ATOM 802 C PRO A 53 -8.387 -13.543 1.277 1.00 0.00 C ATOM 803 O PRO A 53 -7.568 -14.383 0.892 1.00 0.00 O ATOM 804 CB PRO A 53 -8.062 -13.567 3.811 1.00 0.00 C ATOM 805 CG PRO A 53 -9.449 -13.334 4.401 1.00 0.00 C ATOM 806 CD PRO A 53 -9.801 -11.907 3.989 1.00 0.00 C ATOM 0 HA PRO A 53 -7.077 -12.313 2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.892 -14.621 3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.276 -13.255 4.499 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.172 -14.050 4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.443 -13.445 5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.867 -11.810 3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.562 -11.200 4.783 1.00 0.00 H new ATOM 814 N MET A 54 -9.529 -13.313 0.609 1.00 0.00 N ATOM 815 CA MET A 54 -9.911 -14.018 -0.624 1.00 0.00 C ATOM 816 C MET A 54 -9.232 -13.463 -1.883 1.00 0.00 C ATOM 817 O MET A 54 -9.563 -13.908 -2.982 1.00 0.00 O ATOM 818 CB MET A 54 -11.445 -14.052 -0.813 1.00 0.00 C ATOM 819 CG MET A 54 -12.081 -12.669 -1.006 1.00 0.00 C ATOM 820 SD MET A 54 -13.794 -12.684 -1.603 1.00 0.00 S ATOM 821 CE MET A 54 -14.170 -10.921 -1.421 1.00 0.00 C ATOM 0 H MET A 54 -10.219 -12.626 0.913 1.00 0.00 H new ATOM 0 HA MET A 54 -9.550 -15.038 -0.494 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.681 -14.673 -1.678 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.897 -14.531 0.056 1.00 0.00 H new ATOM 0 HG2 MET A 54 -12.049 -12.136 -0.056 1.00 0.00 H new ATOM 0 HG3 MET A 54 -11.472 -12.102 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A 54 -14.977 -10.649 -2.101 1.00 0.00 H new ATOM 0 HE2 MET A 54 -14.477 -10.718 -0.395 1.00 0.00 H new ATOM 0 HE3 MET A 54 -13.283 -10.333 -1.657 1.00 0.00 H new ATOM 831 N CYS A 55 -8.349 -12.462 -1.766 1.00 0.00 N ATOM 832 CA CYS A 55 -7.791 -11.807 -2.937 1.00 0.00 C ATOM 833 C CYS A 55 -7.100 -12.813 -3.873 1.00 0.00 C ATOM 834 O CYS A 55 -6.418 -13.739 -3.421 1.00 0.00 O ATOM 835 CB CYS A 55 -6.840 -10.694 -2.519 1.00 0.00 C ATOM 836 SG CYS A 55 -7.787 -9.294 -1.848 1.00 0.00 S ATOM 0 H CYS A 55 -8.013 -12.096 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.612 -11.362 -3.499 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.140 -11.064 -1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.249 -10.368 -3.375 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.115 -9.543 -0.615 1.00 0.00 H new ATOM 842 N PRO A 56 -7.261 -12.631 -5.188 1.00 0.00 N ATOM 843 CA PRO A 56 -7.320 -13.740 -6.128 1.00 0.00 C ATOM 844 C PRO A 56 -5.937 -14.330 -6.384 1.00 0.00 C ATOM 845 O PRO A 56 -5.689 -15.527 -6.211 1.00 0.00 O ATOM 846 CB PRO A 56 -7.928 -13.140 -7.399 1.00 0.00 C ATOM 847 CG PRO A 56 -7.595 -11.649 -7.325 1.00 0.00 C ATOM 848 CD PRO A 56 -7.569 -11.366 -5.830 1.00 0.00 C ATOM 0 HA PRO A 56 -7.915 -14.570 -5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.504 -13.596 -8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.005 -13.303 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.635 -11.428 -7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.345 -11.044 -7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.819 -10.613 -5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.530 -10.979 -5.489 1.00 0.00 H new ATOM 856 N LEU A 57 -5.022 -13.448 -6.766 1.00 0.00 N ATOM 857 CA LEU A 57 -3.606 -13.679 -6.946 1.00 0.00 C ATOM 858 C LEU A 57 -2.881 -12.737 -6.000 1.00 0.00 C ATOM 859 O LEU A 57 -2.032 -11.940 -6.396 1.00 0.00 O ATOM 860 CB LEU A 57 -3.202 -13.628 -8.436 1.00 0.00 C ATOM 861 CG LEU A 57 -3.917 -12.595 -9.334 1.00 0.00 C ATOM 862 CD1 LEU A 57 -3.650 -11.137 -8.961 1.00 0.00 C ATOM 863 CD2 LEU A 57 -3.503 -12.822 -10.785 1.00 0.00 C ATOM 0 H LEU A 57 -5.276 -12.482 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.306 -14.691 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.131 -13.434 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.368 -14.617 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.985 -12.755 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.191 -10.482 -9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.986 -10.955 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.582 -10.933 -9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.005 -12.096 -11.424 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.424 -12.703 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.785 -13.830 -11.090 1.00 0.00 H new ATOM 875 N ALA A 58 -3.253 -12.855 -4.720 1.00 0.00 N ATOM 876 CA ALA A 58 -2.715 -12.083 -3.615 1.00 0.00 C ATOM 877 C ALA A 58 -1.194 -12.010 -3.700 1.00 0.00 C ATOM 878 O ALA A 58 -0.626 -10.928 -3.679 1.00 0.00 O ATOM 879 CB ALA A 58 -3.104 -12.735 -2.288 1.00 0.00 C ATOM 0 H ALA A 58 -3.967 -13.521 -4.423 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.127 -11.075 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.697 -12.151 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.190 -12.772 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.702 -13.748 -2.249 1.00 0.00 H new ATOM 885 N GLY A 59 -0.535 -13.162 -3.836 1.00 0.00 N ATOM 886 CA GLY A 59 0.915 -13.251 -3.853 1.00 0.00 C ATOM 887 C GLY A 59 1.548 -12.457 -4.988 1.00 0.00 C ATOM 888 O GLY A 59 2.709 -12.078 -4.869 1.00 0.00 O ATOM 0 H GLY A 59 -1.002 -14.063 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.307 -12.890 -2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.208 -14.297 -3.942 1.00 0.00 H new ATOM 892 N MET A 60 0.825 -12.198 -6.078 1.00 0.00 N ATOM 893 CA MET A 60 1.306 -11.363 -7.166 1.00 0.00 C ATOM 894 C MET A 60 1.050 -9.890 -6.857 1.00 0.00 C ATOM 895 O MET A 60 1.959 -9.081 -7.022 1.00 0.00 O ATOM 896 CB MET A 60 0.658 -11.811 -8.486 1.00 0.00 C ATOM 897 CG MET A 60 1.727 -12.113 -9.535 1.00 0.00 C ATOM 898 SD MET A 60 2.896 -13.428 -9.064 1.00 0.00 S ATOM 899 CE MET A 60 4.465 -12.576 -9.388 1.00 0.00 C ATOM 0 H MET A 60 -0.115 -12.566 -6.226 1.00 0.00 H new ATOM 0 HA MET A 60 2.384 -11.479 -7.274 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.048 -12.698 -8.315 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.009 -11.031 -8.853 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.235 -12.397 -10.465 1.00 0.00 H new ATOM 0 HG3 MET A 60 2.288 -11.201 -9.737 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.296 -13.241 -9.152 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.515 -12.293 -10.439 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.528 -11.682 -8.768 1.00 0.00 H new ATOM 909 N ILE A 61 -0.140 -9.547 -6.350 1.00 0.00 N ATOM 910 CA ILE A 61 -0.487 -8.181 -5.956 1.00 0.00 C ATOM 911 C ILE A 61 0.524 -7.688 -4.906 1.00 0.00 C ATOM 912 O ILE A 61 1.117 -6.623 -5.067 1.00 0.00 O ATOM 913 CB ILE A 61 -1.950 -8.120 -5.443 1.00 0.00 C ATOM 914 CG1 ILE A 61 -2.983 -8.557 -6.506 1.00 0.00 C ATOM 915 CG2 ILE A 61 -2.285 -6.688 -5.008 1.00 0.00 C ATOM 916 CD1 ILE A 61 -4.366 -8.889 -5.919 1.00 0.00 C ATOM 0 H ILE A 61 -0.894 -10.217 -6.201 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.430 -7.516 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.014 -8.816 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.092 -7.762 -7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.602 -9.431 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.313 -6.648 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.609 -6.383 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.171 -6.014 -5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.040 -9.188 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.271 -9.705 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.768 -8.010 -5.416 1.00 0.00 H new ATOM 928 N LEU A 62 0.746 -8.470 -3.847 1.00 0.00 N ATOM 929 CA LEU A 62 1.658 -8.159 -2.750 1.00 0.00 C ATOM 930 C LEU A 62 3.110 -8.089 -3.240 1.00 0.00 C ATOM 931 O LEU A 62 3.916 -7.341 -2.684 1.00 0.00 O ATOM 932 CB LEU A 62 1.553 -9.238 -1.655 1.00 0.00 C ATOM 933 CG LEU A 62 0.182 -9.397 -0.972 1.00 0.00 C ATOM 934 CD1 LEU A 62 0.172 -10.662 -0.111 1.00 0.00 C ATOM 935 CD2 LEU A 62 -0.185 -8.211 -0.084 1.00 0.00 C ATOM 0 H LEU A 62 0.278 -9.368 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 62 1.374 -7.187 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.828 -10.197 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.293 -9.016 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.554 -9.458 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.801 -10.768 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.363 -11.532 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.947 -10.589 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.162 -8.384 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.563 -8.098 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.219 -7.303 -0.686 1.00 0.00 H new ATOM 947 N SER A 63 3.477 -8.878 -4.252 1.00 0.00 N ATOM 948 CA SER A 63 4.808 -8.837 -4.841 1.00 0.00 C ATOM 949 C SER A 63 4.979 -7.521 -5.604 1.00 0.00 C ATOM 950 O SER A 63 6.025 -6.887 -5.507 1.00 0.00 O ATOM 951 CB SER A 63 5.001 -10.078 -5.726 1.00 0.00 C ATOM 952 OG SER A 63 6.334 -10.288 -6.151 1.00 0.00 O ATOM 0 H SER A 63 2.856 -9.562 -4.683 1.00 0.00 H new ATOM 0 HA SER A 63 5.582 -8.864 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.664 -10.957 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.362 -9.986 -6.604 1.00 0.00 H new ATOM 0 HG SER A 63 6.377 -11.094 -6.706 1.00 0.00 H new ATOM 958 N ASP A 64 3.961 -7.061 -6.328 1.00 0.00 N ATOM 959 CA ASP A 64 4.053 -5.806 -7.063 1.00 0.00 C ATOM 960 C ASP A 64 4.007 -4.600 -6.126 1.00 0.00 C ATOM 961 O ASP A 64 4.623 -3.577 -6.409 1.00 0.00 O ATOM 962 CB ASP A 64 2.977 -5.721 -8.146 1.00 0.00 C ATOM 963 CG ASP A 64 3.549 -5.204 -9.468 1.00 0.00 C ATOM 964 OD1 ASP A 64 4.601 -5.692 -9.952 1.00 0.00 O ATOM 965 OD2 ASP A 64 2.856 -4.394 -10.119 1.00 0.00 O ATOM 0 H ASP A 64 3.065 -7.539 -6.420 1.00 0.00 H new ATOM 0 HA ASP A 64 5.022 -5.786 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.536 -6.706 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.176 -5.062 -7.813 1.00 0.00 H new ATOM 970 N ALA A 65 3.358 -4.718 -4.961 1.00 0.00 N ATOM 971 CA ALA A 65 3.456 -3.703 -3.918 1.00 0.00 C ATOM 972 C ALA A 65 4.918 -3.557 -3.474 1.00 0.00 C ATOM 973 O ALA A 65 5.438 -2.440 -3.412 1.00 0.00 O ATOM 974 CB ALA A 65 2.535 -4.051 -2.743 1.00 0.00 C ATOM 0 H ALA A 65 2.760 -5.509 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 65 3.126 -2.742 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.621 -3.283 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.504 -4.102 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.825 -5.016 -2.327 1.00 0.00 H new ATOM 980 N GLU A 66 5.610 -4.673 -3.217 1.00 0.00 N ATOM 981 CA GLU A 66 7.035 -4.692 -2.951 1.00 0.00 C ATOM 982 C GLU A 66 7.808 -4.041 -4.104 1.00 0.00 C ATOM 983 O GLU A 66 8.745 -3.294 -3.850 1.00 0.00 O ATOM 984 CB GLU A 66 7.497 -6.143 -2.734 1.00 0.00 C ATOM 985 CG GLU A 66 8.791 -6.211 -1.922 1.00 0.00 C ATOM 986 CD GLU A 66 9.643 -7.457 -2.232 1.00 0.00 C ATOM 987 OE1 GLU A 66 9.977 -7.687 -3.422 1.00 0.00 O ATOM 988 OE2 GLU A 66 10.003 -8.225 -1.316 1.00 0.00 O ATOM 0 H GLU A 66 5.180 -5.598 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 66 7.238 -4.117 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.715 -6.700 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.648 -6.625 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.383 -5.317 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.546 -6.203 -0.860 1.00 0.00 H new ATOM 995 N GLU A 67 7.434 -4.303 -5.361 1.00 0.00 N ATOM 996 CA GLU A 67 8.071 -3.770 -6.561 1.00 0.00 C ATOM 997 C GLU A 67 8.113 -2.244 -6.573 1.00 0.00 C ATOM 998 O GLU A 67 9.122 -1.661 -6.980 1.00 0.00 O ATOM 999 CB GLU A 67 7.343 -4.307 -7.803 1.00 0.00 C ATOM 1000 CG GLU A 67 8.165 -4.180 -9.080 1.00 0.00 C ATOM 1001 CD GLU A 67 9.021 -5.419 -9.297 1.00 0.00 C ATOM 1002 OE1 GLU A 67 10.147 -5.466 -8.752 1.00 0.00 O ATOM 1003 OE2 GLU A 67 8.568 -6.347 -10.012 1.00 0.00 O ATOM 0 H GLU A 67 6.648 -4.917 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 67 9.108 -4.105 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.090 -5.355 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.404 -3.768 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.501 -4.037 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.802 -3.298 -9.021 1.00 0.00 H new ATOM 1010 N ALA A 68 7.046 -1.593 -6.111 1.00 0.00 N ATOM 1011 CA ALA A 68 7.017 -0.147 -6.000 1.00 0.00 C ATOM 1012 C ALA A 68 7.922 0.268 -4.850 1.00 0.00 C ATOM 1013 O ALA A 68 8.825 1.082 -5.031 1.00 0.00 O ATOM 1014 CB ALA A 68 5.590 0.354 -5.778 1.00 0.00 C ATOM 0 H ALA A 68 6.188 -2.054 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 68 7.375 0.299 -6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.594 1.441 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.964 0.055 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.192 -0.076 -4.859 1.00 0.00 H new ATOM 1020 N ILE A 69 7.684 -0.301 -3.669 1.00 0.00 N ATOM 1021 CA ILE A 69 8.370 0.068 -2.441 1.00 0.00 C ATOM 1022 C ILE A 69 9.890 -0.044 -2.611 1.00 0.00 C ATOM 1023 O ILE A 69 10.616 0.868 -2.219 1.00 0.00 O ATOM 1024 CB ILE A 69 7.801 -0.782 -1.282 1.00 0.00 C ATOM 1025 CG1 ILE A 69 6.368 -0.302 -0.959 1.00 0.00 C ATOM 1026 CG2 ILE A 69 8.703 -0.689 -0.048 1.00 0.00 C ATOM 1027 CD1 ILE A 69 5.615 -1.206 0.024 1.00 0.00 C ATOM 0 H ILE A 69 6.996 -1.044 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 69 8.189 1.115 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 69 7.767 -1.829 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.418 0.705 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.799 -0.238 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.284 -1.295 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.699 -1.055 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.769 0.349 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.618 -0.802 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.532 -2.209 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.159 -1.251 0.967 1.00 0.00 H new ATOM 1039 N LYS A 70 10.395 -1.131 -3.195 1.00 0.00 N ATOM 1040 CA LYS A 70 11.832 -1.354 -3.320 1.00 0.00 C ATOM 1041 C LYS A 70 12.502 -0.387 -4.299 1.00 0.00 C ATOM 1042 O LYS A 70 13.729 -0.315 -4.309 1.00 0.00 O ATOM 1043 CB LYS A 70 12.105 -2.817 -3.713 1.00 0.00 C ATOM 1044 CG LYS A 70 11.813 -3.095 -5.196 1.00 0.00 C ATOM 1045 CD LYS A 70 12.072 -4.551 -5.588 1.00 0.00 C ATOM 1046 CE LYS A 70 10.921 -5.442 -5.132 1.00 0.00 C ATOM 1047 NZ LYS A 70 10.499 -6.373 -6.195 1.00 0.00 N ATOM 0 H LYS A 70 9.822 -1.876 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 70 12.277 -1.154 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.146 -3.058 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.493 -3.475 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.774 -2.845 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.431 -2.442 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.192 -4.627 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.004 -4.894 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.226 -6.008 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.076 -4.821 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.564 -6.765 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.445 -5.865 -7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.189 -7.147 -6.273 1.00 0.00 H new ATOM 1058 N LYS A 71 11.764 0.334 -5.152 1.00 0.00 N ATOM 1059 CA LYS A 71 12.383 1.140 -6.186 1.00 0.00 C ATOM 1060 C LYS A 71 12.922 2.442 -5.615 1.00 0.00 C ATOM 1061 O LYS A 71 13.659 3.146 -6.302 1.00 0.00 O ATOM 1062 CB LYS A 71 11.393 1.303 -7.332 1.00 0.00 C ATOM 1063 CG LYS A 71 10.609 2.618 -7.376 1.00 0.00 C ATOM 1064 CD LYS A 71 9.925 2.704 -8.734 1.00 0.00 C ATOM 1065 CE LYS A 71 8.740 1.733 -8.862 1.00 0.00 C ATOM 1066 NZ LYS A 71 8.124 1.746 -10.205 1.00 0.00 N ATOM 0 H LYS A 71 10.745 0.369 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 71 13.263 0.644 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.937 1.199 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.678 0.481 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.872 2.651 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.277 3.467 -7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.574 3.723 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.652 2.489 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.079 0.723 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.985 1.991 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.332 1.072 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.773 2.702 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.833 1.473 -10.915 1.00 0.00 H new ATOM 1077 N ILE A 72 12.558 2.783 -4.379 1.00 0.00 N ATOM 1078 CA ILE A 72 12.732 4.109 -3.812 1.00 0.00 C ATOM 1079 C ILE A 72 14.167 4.247 -3.281 1.00 0.00 C ATOM 1080 O ILE A 72 14.373 4.414 -2.081 1.00 0.00 O ATOM 1081 CB ILE A 72 11.662 4.394 -2.732 1.00 0.00 C ATOM 1082 CG1 ILE A 72 10.239 3.955 -3.136 1.00 0.00 C ATOM 1083 CG2 ILE A 72 11.640 5.904 -2.420 1.00 0.00 C ATOM 1084 CD1 ILE A 72 9.322 3.877 -1.917 1.00 0.00 C ATOM 0 H ILE A 72 12.124 2.124 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 72 12.587 4.864 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 72 11.944 3.806 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.829 4.660 -3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.280 2.983 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.887 6.107 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.619 6.214 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.399 6.459 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.326 3.565 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.722 3.153 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.263 4.857 -1.443 1.00 0.00 H new ATOM 1096 N GLU A 73 15.150 4.116 -4.177 1.00 0.00 N ATOM 1097 CA GLU A 73 16.523 4.650 -4.211 1.00 0.00 C ATOM 1098 C GLU A 73 17.184 5.023 -2.875 1.00 0.00 C ATOM 1099 O GLU A 73 17.932 5.998 -2.764 1.00 0.00 O ATOM 1100 CB GLU A 73 16.529 5.812 -5.225 1.00 0.00 C ATOM 1101 CG GLU A 73 15.785 7.056 -4.698 1.00 0.00 C ATOM 1102 CD GLU A 73 15.353 8.000 -5.820 1.00 0.00 C ATOM 1103 OE1 GLU A 73 16.203 8.738 -6.373 1.00 0.00 O ATOM 1104 OE2 GLU A 73 14.130 8.025 -6.122 1.00 0.00 O ATOM 0 H GLU A 73 14.980 3.556 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 73 17.169 3.827 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.559 6.080 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.066 5.482 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.906 6.739 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.430 7.594 -4.003 1.00 0.00 H new ATOM 1111 N GLY A 74 17.022 4.172 -1.874 1.00 0.00 N ATOM 1112 CA GLY A 74 17.276 4.567 -0.498 1.00 0.00 C ATOM 1113 C GLY A 74 16.732 3.549 0.490 1.00 0.00 C ATOM 1114 O GLY A 74 17.367 3.286 1.504 1.00 0.00 O ATOM 0 H GLY A 74 16.716 3.206 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.349 4.684 -0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.819 5.538 -0.308 1.00 0.00 H new ATOM 1118 N VAL A 75 15.582 2.956 0.150 1.00 0.00 N ATOM 1119 CA VAL A 75 14.835 1.827 0.707 1.00 0.00 C ATOM 1120 C VAL A 75 15.655 0.578 1.053 1.00 0.00 C ATOM 1121 O VAL A 75 15.672 -0.444 0.372 1.00 0.00 O ATOM 1122 CB VAL A 75 13.572 1.587 -0.099 1.00 0.00 C ATOM 1123 CG1 VAL A 75 13.936 1.047 -1.468 1.00 0.00 C ATOM 1124 CG2 VAL A 75 12.642 0.652 0.671 1.00 0.00 C ATOM 0 H VAL A 75 15.075 3.322 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 75 14.524 2.121 1.710 1.00 0.00 H new ATOM 0 HB VAL A 75 13.036 2.524 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.027 0.875 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 75 14.565 1.769 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 75 14.478 0.108 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.736 0.481 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.145 -0.299 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.380 1.105 1.627 1.00 0.00 H new ATOM 1134 N ASN A 76 16.533 0.768 2.005 1.00 0.00 N ATOM 1135 CA ASN A 76 17.423 -0.195 2.616 1.00 0.00 C ATOM 1136 C ASN A 76 16.791 -1.575 2.761 1.00 0.00 C ATOM 1137 O ASN A 76 17.367 -2.569 2.324 1.00 0.00 O ATOM 1138 CB ASN A 76 17.724 0.408 3.963 1.00 0.00 C ATOM 1139 CG ASN A 76 18.734 -0.414 4.736 1.00 0.00 C ATOM 1140 OD1 ASN A 76 19.928 -0.336 4.458 1.00 0.00 O ATOM 1141 ND2 ASN A 76 18.301 -1.223 5.681 1.00 0.00 N ATOM 0 H ASN A 76 16.657 1.694 2.415 1.00 0.00 H new ATOM 0 HA ASN A 76 18.312 -0.367 2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 76 18.105 1.421 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.802 0.487 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.962 -1.802 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.305 -1.271 5.894 1.00 0.00 H new ATOM 1148 N ASN A 77 15.630 -1.633 3.408 1.00 0.00 N ATOM 1149 CA ASN A 77 14.806 -2.810 3.617 1.00 0.00 C ATOM 1150 C ASN A 77 13.320 -2.462 3.621 1.00 0.00 C ATOM 1151 O ASN A 77 12.938 -1.288 3.647 1.00 0.00 O ATOM 1152 CB ASN A 77 15.176 -3.485 4.933 1.00 0.00 C ATOM 1153 CG ASN A 77 14.993 -2.624 6.156 1.00 0.00 C ATOM 1154 OD1 ASN A 77 15.591 -1.561 6.222 1.00 0.00 O ATOM 1155 ND2 ASN A 77 14.244 -3.084 7.143 1.00 0.00 N ATOM 0 H ASN A 77 15.216 -0.800 3.827 1.00 0.00 H new ATOM 0 HA ASN A 77 14.993 -3.494 2.789 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.572 -4.386 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 77 16.217 -3.803 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.148 -2.545 8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.762 -3.978 7.044 1.00 0.00 H new ATOM 1162 N VAL A 78 12.497 -3.513 3.582 1.00 0.00 N ATOM 1163 CA VAL A 78 11.127 -3.498 3.095 1.00 0.00 C ATOM 1164 C VAL A 78 10.262 -4.284 4.094 1.00 0.00 C ATOM 1165 O VAL A 78 10.097 -5.504 3.988 1.00 0.00 O ATOM 1166 CB VAL A 78 11.133 -4.066 1.645 1.00 0.00 C ATOM 1167 CG1 VAL A 78 9.725 -4.103 1.041 1.00 0.00 C ATOM 1168 CG2 VAL A 78 12.045 -3.251 0.704 1.00 0.00 C ATOM 0 H VAL A 78 12.786 -4.436 3.905 1.00 0.00 H new ATOM 0 HA VAL A 78 10.695 -2.499 3.035 1.00 0.00 H new ATOM 0 HB VAL A 78 11.521 -5.081 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.774 -4.506 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.083 -4.736 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.316 -3.093 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.017 -3.685 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.695 -2.219 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.068 -3.272 1.080 1.00 0.00 H new ATOM 1178 N GLU A 79 9.768 -3.606 5.130 1.00 0.00 N ATOM 1179 CA GLU A 79 9.053 -4.181 6.272 1.00 0.00 C ATOM 1180 C GLU A 79 7.545 -4.009 6.032 1.00 0.00 C ATOM 1181 O GLU A 79 6.854 -3.272 6.744 1.00 0.00 O ATOM 1182 CB GLU A 79 9.514 -3.475 7.559 1.00 0.00 C ATOM 1183 CG GLU A 79 10.949 -3.790 7.989 1.00 0.00 C ATOM 1184 CD GLU A 79 11.030 -5.047 8.853 1.00 0.00 C ATOM 1185 OE1 GLU A 79 11.121 -6.157 8.279 1.00 0.00 O ATOM 1186 OE2 GLU A 79 11.063 -4.915 10.097 1.00 0.00 O ATOM 0 H GLU A 79 9.859 -2.593 5.200 1.00 0.00 H new ATOM 0 HA GLU A 79 9.267 -5.244 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.420 -2.398 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.839 -3.751 8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.572 -3.919 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.354 -2.944 8.543 1.00 0.00 H new ATOM 1193 N VAL A 80 7.020 -4.668 5.001 1.00 0.00 N ATOM 1194 CA VAL A 80 5.603 -4.590 4.654 1.00 0.00 C ATOM 1195 C VAL A 80 4.848 -5.526 5.603 1.00 0.00 C ATOM 1196 O VAL A 80 4.879 -6.748 5.436 1.00 0.00 O ATOM 1197 CB VAL A 80 5.374 -4.937 3.164 1.00 0.00 C ATOM 1198 CG1 VAL A 80 3.900 -4.755 2.765 1.00 0.00 C ATOM 1199 CG2 VAL A 80 6.228 -4.055 2.236 1.00 0.00 C ATOM 0 H VAL A 80 7.564 -5.270 4.383 1.00 0.00 H new ATOM 0 HA VAL A 80 5.227 -3.574 4.775 1.00 0.00 H new ATOM 0 HB VAL A 80 5.665 -5.981 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.774 -5.007 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.275 -5.410 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.604 -3.719 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.039 -4.329 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.967 -3.008 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.284 -4.203 2.464 1.00 0.00 H new ATOM 1209 N GLU A 81 4.203 -4.964 6.618 1.00 0.00 N ATOM 1210 CA GLU A 81 3.366 -5.690 7.553 1.00 0.00 C ATOM 1211 C GLU A 81 2.021 -5.922 6.877 1.00 0.00 C ATOM 1212 O GLU A 81 1.490 -5.034 6.203 1.00 0.00 O ATOM 1213 CB GLU A 81 3.215 -4.851 8.825 1.00 0.00 C ATOM 1214 CG GLU A 81 2.643 -5.562 10.055 1.00 0.00 C ATOM 1215 CD GLU A 81 3.729 -5.822 11.099 1.00 0.00 C ATOM 1216 OE1 GLU A 81 4.240 -4.858 11.726 1.00 0.00 O ATOM 1217 OE2 GLU A 81 4.084 -7.006 11.294 1.00 0.00 O ATOM 0 H GLU A 81 4.252 -3.964 6.815 1.00 0.00 H new ATOM 0 HA GLU A 81 3.800 -6.651 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.195 -4.452 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.575 -3.999 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.851 -4.955 10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.190 -6.507 9.754 1.00 0.00 H new ATOM 1224 N LEU A 82 1.464 -7.111 7.078 1.00 0.00 N ATOM 1225 CA LEU A 82 0.243 -7.587 6.449 1.00 0.00 C ATOM 1226 C LEU A 82 -0.691 -8.021 7.573 1.00 0.00 C ATOM 1227 O LEU A 82 -0.776 -9.192 7.931 1.00 0.00 O ATOM 1228 CB LEU A 82 0.602 -8.697 5.446 1.00 0.00 C ATOM 1229 CG LEU A 82 -0.591 -9.168 4.602 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -1.044 -8.116 3.581 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -0.206 -10.429 3.823 1.00 0.00 C ATOM 0 H LEU A 82 1.871 -7.798 7.712 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.275 -6.824 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.387 -8.336 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.011 -9.549 5.989 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.408 -9.356 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.890 -8.502 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.342 -7.207 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.222 -7.891 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.055 -10.761 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.636 -10.208 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.075 -11.217 4.522 1.00 0.00 H new ATOM 1243 N THR A 83 -1.315 -7.039 8.214 1.00 0.00 N ATOM 1244 CA THR A 83 -2.053 -7.211 9.454 1.00 0.00 C ATOM 1245 C THR A 83 -3.433 -7.787 9.124 1.00 0.00 C ATOM 1246 O THR A 83 -4.321 -7.048 8.692 1.00 0.00 O ATOM 1247 CB THR A 83 -2.136 -5.842 10.129 1.00 0.00 C ATOM 1248 OG1 THR A 83 -0.841 -5.322 10.366 1.00 0.00 O ATOM 1249 CG2 THR A 83 -2.899 -5.853 11.453 1.00 0.00 C ATOM 0 H THR A 83 -1.320 -6.077 7.874 1.00 0.00 H new ATOM 0 HA THR A 83 -1.565 -7.906 10.137 1.00 0.00 H new ATOM 0 HB THR A 83 -2.689 -5.212 9.432 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.907 -4.527 10.935 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.916 -4.847 11.872 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.921 -6.191 11.281 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.406 -6.529 12.152 1.00 0.00 H new ATOM 1257 N PHE A 84 -3.643 -9.086 9.305 1.00 0.00 N ATOM 1258 CA PHE A 84 -4.718 -9.819 8.641 1.00 0.00 C ATOM 1259 C PHE A 84 -5.918 -10.074 9.562 1.00 0.00 C ATOM 1260 O PHE A 84 -6.678 -11.031 9.384 1.00 0.00 O ATOM 1261 CB PHE A 84 -4.161 -11.110 8.002 1.00 0.00 C ATOM 1262 CG PHE A 84 -4.381 -11.194 6.503 1.00 0.00 C ATOM 1263 CD1 PHE A 84 -5.606 -10.805 5.924 1.00 0.00 C ATOM 1264 CD2 PHE A 84 -3.328 -11.623 5.677 1.00 0.00 C ATOM 1265 CE1 PHE A 84 -5.748 -10.780 4.529 1.00 0.00 C ATOM 1266 CE2 PHE A 84 -3.489 -11.639 4.280 1.00 0.00 C ATOM 1267 CZ PHE A 84 -4.688 -11.186 3.706 1.00 0.00 C ATOM 0 H PHE A 84 -3.070 -9.664 9.919 1.00 0.00 H new ATOM 0 HA PHE A 84 -5.111 -9.194 7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.092 -11.174 8.207 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.630 -11.972 8.478 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.436 -10.526 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.394 -11.941 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.676 -10.447 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.691 -12.000 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.793 -11.150 2.632 1.00 0.00 H new ATOM 1277 N ASP A 85 -6.077 -9.254 10.595 1.00 0.00 N ATOM 1278 CA ASP A 85 -7.112 -9.429 11.611 1.00 0.00 C ATOM 1279 C ASP A 85 -8.202 -8.369 11.507 1.00 0.00 C ATOM 1280 O ASP A 85 -9.365 -8.760 11.382 1.00 0.00 O ATOM 1281 CB ASP A 85 -6.494 -9.404 13.019 1.00 0.00 C ATOM 1282 CG ASP A 85 -6.745 -10.643 13.875 1.00 0.00 C ATOM 1283 OD1 ASP A 85 -7.474 -11.569 13.453 1.00 0.00 O ATOM 1284 OD2 ASP A 85 -6.179 -10.674 14.992 1.00 0.00 O ATOM 0 H ASP A 85 -5.484 -8.439 10.754 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.574 -10.400 11.434 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.417 -9.265 12.921 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.880 -8.534 13.550 1.00 0.00 H new ATOM 1289 N PRO A 86 -7.889 -7.059 11.555 1.00 0.00 N ATOM 1290 CA PRO A 86 -8.922 -6.047 11.642 1.00 0.00 C ATOM 1291 C PRO A 86 -9.755 -5.969 10.354 1.00 0.00 C ATOM 1292 O PRO A 86 -9.254 -6.287 9.270 1.00 0.00 O ATOM 1293 CB PRO A 86 -8.224 -4.708 11.890 1.00 0.00 C ATOM 1294 CG PRO A 86 -6.813 -5.085 12.329 1.00 0.00 C ATOM 1295 CD PRO A 86 -6.582 -6.435 11.660 1.00 0.00 C ATOM 0 HA PRO A 86 -9.610 -6.296 12.450 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.208 -4.096 10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.737 -4.130 12.659 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.081 -4.346 12.005 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.736 -5.156 13.414 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.129 -6.311 10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.902 -7.051 12.249 1.00 0.00 H new ATOM 1303 N PRO A 87 -11.001 -5.487 10.440 1.00 0.00 N ATOM 1304 CA PRO A 87 -11.781 -5.099 9.282 1.00 0.00 C ATOM 1305 C PRO A 87 -11.237 -3.762 8.761 1.00 0.00 C ATOM 1306 O PRO A 87 -10.949 -2.857 9.546 1.00 0.00 O ATOM 1307 CB PRO A 87 -13.217 -5.021 9.798 1.00 0.00 C ATOM 1308 CG PRO A 87 -13.072 -4.639 11.271 1.00 0.00 C ATOM 1309 CD PRO A 87 -11.668 -5.105 11.668 1.00 0.00 C ATOM 0 HA PRO A 87 -11.731 -5.790 8.440 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -13.796 -4.278 9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -13.733 -5.975 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -13.185 -3.564 11.412 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -13.835 -5.123 11.881 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -11.123 -4.308 12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.719 -5.946 12.360 1.00 0.00 H new ATOM 1317 N TRP A 88 -11.055 -3.654 7.442 1.00 0.00 N ATOM 1318 CA TRP A 88 -10.487 -2.484 6.776 1.00 0.00 C ATOM 1319 C TRP A 88 -11.469 -1.306 6.836 1.00 0.00 C ATOM 1320 O TRP A 88 -11.434 -0.557 7.813 1.00 0.00 O ATOM 1321 CB TRP A 88 -9.969 -2.898 5.391 1.00 0.00 C ATOM 1322 CG TRP A 88 -9.891 -1.873 4.302 1.00 0.00 C ATOM 1323 CD1 TRP A 88 -9.194 -0.712 4.277 1.00 0.00 C ATOM 1324 CD2 TRP A 88 -10.625 -1.902 3.051 1.00 0.00 C ATOM 1325 NE1 TRP A 88 -9.341 -0.110 3.049 1.00 0.00 N ATOM 1326 CE2 TRP A 88 -10.280 -0.757 2.284 1.00 0.00 C ATOM 1327 CE3 TRP A 88 -11.605 -2.763 2.528 1.00 0.00 C ATOM 1328 CZ2 TRP A 88 -10.895 -0.464 1.066 1.00 0.00 C ATOM 1329 CZ3 TRP A 88 -12.205 -2.502 1.286 1.00 0.00 C ATOM 1330 CH2 TRP A 88 -11.855 -1.349 0.563 1.00 0.00 C ATOM 0 H TRP A 88 -11.306 -4.399 6.793 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.608 -2.099 7.293 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -8.969 -3.311 5.525 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.603 -3.709 5.033 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.611 -0.319 5.097 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -8.819 0.712 2.745 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -11.900 -3.637 3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -10.634 0.431 0.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -12.937 -3.188 0.886 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -12.329 -1.145 -0.386 1.00 0.00 H new ATOM 1341 N THR A 89 -12.298 -1.127 5.801 1.00 0.00 N ATOM 1342 CA THR A 89 -13.515 -0.329 5.639 1.00 0.00 C ATOM 1343 C THR A 89 -13.690 -0.109 4.121 1.00 0.00 C ATOM 1344 O THR A 89 -12.876 0.604 3.540 1.00 0.00 O ATOM 1345 CB THR A 89 -13.512 1.011 6.410 1.00 0.00 C ATOM 1346 OG1 THR A 89 -13.551 0.856 7.808 1.00 0.00 O ATOM 1347 CG2 THR A 89 -14.749 1.839 6.083 1.00 0.00 C ATOM 0 H THR A 89 -12.096 -1.614 4.928 1.00 0.00 H new ATOM 0 HA THR A 89 -14.354 -0.871 6.075 1.00 0.00 H new ATOM 0 HB THR A 89 -12.583 1.490 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.734 0.406 8.110 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.718 2.775 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.771 2.053 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 89 -15.644 1.281 6.360 1.00 0.00 H new ATOM 1355 N PRO A 90 -14.723 -0.627 3.433 1.00 0.00 N ATOM 1356 CA PRO A 90 -14.853 -0.439 1.984 1.00 0.00 C ATOM 1357 C PRO A 90 -14.974 1.024 1.537 1.00 0.00 C ATOM 1358 O PRO A 90 -14.599 1.377 0.417 1.00 0.00 O ATOM 1359 CB PRO A 90 -16.028 -1.316 1.563 1.00 0.00 C ATOM 1360 CG PRO A 90 -16.869 -1.415 2.832 1.00 0.00 C ATOM 1361 CD PRO A 90 -15.814 -1.444 3.938 1.00 0.00 C ATOM 0 HA PRO A 90 -13.936 -0.741 1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.590 -0.869 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.696 -2.297 1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -17.542 -0.564 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.486 -2.313 2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.209 -1.043 4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -15.484 -2.462 4.143 1.00 0.00 H new ATOM 1369 N GLU A 91 -15.418 1.898 2.435 1.00 0.00 N ATOM 1370 CA GLU A 91 -15.579 3.324 2.205 1.00 0.00 C ATOM 1371 C GLU A 91 -14.227 4.056 2.042 1.00 0.00 C ATOM 1372 O GLU A 91 -14.209 5.233 1.687 1.00 0.00 O ATOM 1373 CB GLU A 91 -16.460 3.898 3.339 1.00 0.00 C ATOM 1374 CG GLU A 91 -15.673 4.720 4.370 1.00 0.00 C ATOM 1375 CD GLU A 91 -16.343 4.882 5.728 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -17.585 4.802 5.832 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -15.607 5.153 6.700 1.00 0.00 O ATOM 0 H GLU A 91 -15.685 1.618 3.379 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.083 3.489 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.237 4.526 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.963 3.076 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.701 4.250 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.489 5.711 3.955 1.00 0.00 H new ATOM 1384 N ARG A 92 -13.083 3.423 2.338 1.00 0.00 N ATOM 1385 CA ARG A 92 -11.768 4.082 2.256 1.00 0.00 C ATOM 1386 C ARG A 92 -11.430 4.461 0.806 1.00 0.00 C ATOM 1387 O ARG A 92 -10.643 5.381 0.563 1.00 0.00 O ATOM 1388 CB ARG A 92 -10.684 3.157 2.821 1.00 0.00 C ATOM 1389 CG ARG A 92 -10.878 2.710 4.281 1.00 0.00 C ATOM 1390 CD ARG A 92 -9.816 3.216 5.263 1.00 0.00 C ATOM 1391 NE ARG A 92 -10.219 4.476 5.904 1.00 0.00 N ATOM 1392 CZ ARG A 92 -9.398 5.468 6.269 1.00 0.00 C ATOM 1393 NH1 ARG A 92 -8.078 5.347 6.163 1.00 0.00 N ATOM 1394 NH2 ARG A 92 -9.904 6.588 6.766 1.00 0.00 N ATOM 0 H ARG A 92 -13.040 2.449 2.638 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.807 4.997 2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.629 2.268 2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.723 3.664 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.856 3.049 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.890 1.621 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.639 2.460 6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.874 3.362 4.735 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.214 4.606 6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.673 4.485 5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.471 6.116 6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.914 6.690 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.284 7.348 7.046 1.00 0.00 H new ATOM 1406 N MET A 93 -12.036 3.762 -0.156 1.00 0.00 N ATOM 1407 CA MET A 93 -11.972 4.064 -1.577 1.00 0.00 C ATOM 1408 C MET A 93 -12.565 5.449 -1.893 1.00 0.00 C ATOM 1409 O MET A 93 -13.202 6.100 -1.054 1.00 0.00 O ATOM 1410 CB MET A 93 -12.721 2.986 -2.382 1.00 0.00 C ATOM 1411 CG MET A 93 -12.136 1.582 -2.212 1.00 0.00 C ATOM 1412 SD MET A 93 -12.660 0.397 -3.484 1.00 0.00 S ATOM 1413 CE MET A 93 -14.381 0.110 -3.000 1.00 0.00 C ATOM 0 H MET A 93 -12.605 2.940 0.047 1.00 0.00 H new ATOM 0 HA MET A 93 -10.920 4.073 -1.863 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.767 2.975 -2.075 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.702 3.254 -3.438 1.00 0.00 H new ATOM 0 HG2 MET A 93 -11.048 1.650 -2.222 1.00 0.00 H new ATOM 0 HG3 MET A 93 -12.423 1.197 -1.233 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.839 -0.599 -3.689 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.412 -0.295 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.929 1.052 -3.030 1.00 0.00 H new ATOM 1423 N SER A 94 -12.378 5.892 -3.138 1.00 0.00 N ATOM 1424 CA SER A 94 -12.884 7.160 -3.648 1.00 0.00 C ATOM 1425 C SER A 94 -14.406 7.232 -3.502 1.00 0.00 C ATOM 1426 O SER A 94 -15.066 6.197 -3.595 1.00 0.00 O ATOM 1427 CB SER A 94 -12.543 7.287 -5.134 1.00 0.00 C ATOM 1428 OG SER A 94 -11.174 7.045 -5.374 1.00 0.00 O ATOM 0 H SER A 94 -11.856 5.361 -3.835 1.00 0.00 H new ATOM 0 HA SER A 94 -12.423 7.965 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.144 6.581 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.804 8.286 -5.484 1.00 0.00 H new ATOM 0 HG SER A 94 -10.990 7.132 -6.333 1.00 0.00 H new ATOM 1434 N PRO A 95 -14.992 8.434 -3.399 1.00 0.00 N ATOM 1435 CA PRO A 95 -16.440 8.589 -3.327 1.00 0.00 C ATOM 1436 C PRO A 95 -17.133 8.070 -4.595 1.00 0.00 C ATOM 1437 O PRO A 95 -18.205 7.470 -4.504 1.00 0.00 O ATOM 1438 CB PRO A 95 -16.661 10.083 -3.074 1.00 0.00 C ATOM 1439 CG PRO A 95 -15.408 10.753 -3.637 1.00 0.00 C ATOM 1440 CD PRO A 95 -14.322 9.727 -3.344 1.00 0.00 C ATOM 0 HA PRO A 95 -16.886 7.993 -2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.561 10.442 -3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.780 10.293 -2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.500 10.952 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.206 11.707 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.518 9.785 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.874 9.897 -2.365 1.00 0.00 H new ATOM 1448 N GLU A 96 -16.497 8.223 -5.760 1.00 0.00 N ATOM 1449 CA GLU A 96 -17.006 7.725 -7.031 1.00 0.00 C ATOM 1450 C GLU A 96 -16.959 6.190 -7.027 1.00 0.00 C ATOM 1451 O GLU A 96 -17.890 5.533 -7.482 1.00 0.00 O ATOM 1452 CB GLU A 96 -16.168 8.360 -8.158 1.00 0.00 C ATOM 1453 CG GLU A 96 -16.891 8.491 -9.507 1.00 0.00 C ATOM 1454 CD GLU A 96 -16.861 7.220 -10.347 1.00 0.00 C ATOM 1455 OE1 GLU A 96 -15.786 6.892 -10.905 1.00 0.00 O ATOM 1456 OE2 GLU A 96 -17.894 6.524 -10.446 1.00 0.00 O ATOM 0 H GLU A 96 -15.601 8.704 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.048 8.002 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.846 9.351 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.267 7.763 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.929 8.772 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.436 9.302 -10.075 1.00 0.00 H new ATOM 1463 N LEU A 97 -15.903 5.592 -6.453 1.00 0.00 N ATOM 1464 CA LEU A 97 -15.818 4.142 -6.331 1.00 0.00 C ATOM 1465 C LEU A 97 -16.838 3.568 -5.372 1.00 0.00 C ATOM 1466 O LEU A 97 -17.264 2.439 -5.583 1.00 0.00 O ATOM 1467 CB LEU A 97 -14.446 3.642 -5.866 1.00 0.00 C ATOM 1468 CG LEU A 97 -13.500 3.352 -7.027 1.00 0.00 C ATOM 1469 CD1 LEU A 97 -12.120 3.058 -6.450 1.00 0.00 C ATOM 1470 CD2 LEU A 97 -13.934 2.147 -7.851 1.00 0.00 C ATOM 0 H LEU A 97 -15.103 6.095 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 97 -16.012 3.798 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.994 4.388 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.576 2.736 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.500 4.222 -7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.424 2.847 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.769 3.923 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.179 2.194 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.225 1.987 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.963 1.262 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -14.926 2.328 -8.266 1.00 0.00 H new ATOM 1482 N ARG A 98 -17.201 4.301 -4.321 1.00 0.00 N ATOM 1483 CA ARG A 98 -18.209 3.836 -3.383 1.00 0.00 C ATOM 1484 C ARG A 98 -19.512 3.630 -4.133 1.00 0.00 C ATOM 1485 O ARG A 98 -20.029 2.515 -4.150 1.00 0.00 O ATOM 1486 CB ARG A 98 -18.368 4.823 -2.225 1.00 0.00 C ATOM 1487 CG ARG A 98 -17.182 4.772 -1.256 1.00 0.00 C ATOM 1488 CD ARG A 98 -17.319 5.860 -0.190 1.00 0.00 C ATOM 1489 NE ARG A 98 -16.035 6.549 0.005 1.00 0.00 N ATOM 1490 CZ ARG A 98 -15.861 7.842 0.277 1.00 0.00 C ATOM 1491 NH1 ARG A 98 -16.903 8.588 0.633 1.00 0.00 N ATOM 1492 NH2 ARG A 98 -14.644 8.357 0.158 1.00 0.00 N ATOM 0 H ARG A 98 -16.810 5.217 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.901 2.887 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.468 5.833 -2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -19.288 4.601 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -17.134 3.792 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -16.250 4.906 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -18.083 6.578 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -17.648 5.418 0.750 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.192 5.980 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -17.831 8.170 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.774 9.578 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.867 7.766 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.486 9.344 0.361 1.00 0.00 H new ATOM 1504 N GLU A 99 -19.982 4.674 -4.815 1.00 0.00 N ATOM 1505 CA GLU A 99 -21.191 4.606 -5.623 1.00 0.00 C ATOM 1506 C GLU A 99 -21.061 3.533 -6.703 1.00 0.00 C ATOM 1507 O GLU A 99 -22.013 2.784 -6.918 1.00 0.00 O ATOM 1508 CB GLU A 99 -21.496 5.983 -6.230 1.00 0.00 C ATOM 1509 CG GLU A 99 -22.038 6.933 -5.153 1.00 0.00 C ATOM 1510 CD GLU A 99 -22.209 8.359 -5.672 1.00 0.00 C ATOM 1511 OE1 GLU A 99 -23.051 8.589 -6.564 1.00 0.00 O ATOM 1512 OE2 GLU A 99 -21.527 9.273 -5.152 1.00 0.00 O ATOM 0 H GLU A 99 -19.532 5.590 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 99 -22.028 4.324 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -20.592 6.401 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.225 5.880 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.998 6.562 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.359 6.938 -4.301 1.00 0.00 H new ATOM 1519 N LYS A 100 -19.897 3.423 -7.357 1.00 0.00 N ATOM 1520 CA LYS A 100 -19.645 2.393 -8.358 1.00 0.00 C ATOM 1521 C LYS A 100 -19.840 1.001 -7.764 1.00 0.00 C ATOM 1522 O LYS A 100 -20.678 0.251 -8.261 1.00 0.00 O ATOM 1523 CB LYS A 100 -18.246 2.554 -8.974 1.00 0.00 C ATOM 1524 CG LYS A 100 -17.997 1.455 -10.016 1.00 0.00 C ATOM 1525 CD LYS A 100 -16.740 1.672 -10.866 1.00 0.00 C ATOM 1526 CE LYS A 100 -16.393 0.305 -11.461 1.00 0.00 C ATOM 1527 NZ LYS A 100 -15.816 0.368 -12.815 1.00 0.00 N ATOM 0 H LYS A 100 -19.107 4.049 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 100 -20.371 2.513 -9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -18.157 3.535 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -17.488 2.503 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.916 0.496 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.862 1.392 -10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.922 2.405 -11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.919 2.053 -10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -15.688 -0.199 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.295 -0.306 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.608 -0.595 -13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.495 0.820 -13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.937 0.924 -12.792 1.00 0.00 H new ATOM 1538 N PHE A 101 -18.996 0.608 -6.806 1.00 0.00 N ATOM 1539 CA PHE A 101 -18.969 -0.749 -6.285 1.00 0.00 C ATOM 1540 C PHE A 101 -20.285 -1.086 -5.585 1.00 0.00 C ATOM 1541 O PHE A 101 -20.852 -2.142 -5.874 1.00 0.00 O ATOM 1542 CB PHE A 101 -17.750 -0.961 -5.375 1.00 0.00 C ATOM 1543 CG PHE A 101 -16.514 -1.436 -6.120 1.00 0.00 C ATOM 1544 CD1 PHE A 101 -15.897 -0.624 -7.090 1.00 0.00 C ATOM 1545 CD2 PHE A 101 -16.032 -2.744 -5.905 1.00 0.00 C ATOM 1546 CE1 PHE A 101 -14.856 -1.144 -7.886 1.00 0.00 C ATOM 1547 CE2 PHE A 101 -14.972 -3.249 -6.677 1.00 0.00 C ATOM 1548 CZ PHE A 101 -14.390 -2.452 -7.676 1.00 0.00 C ATOM 0 H PHE A 101 -18.313 1.229 -6.373 1.00 0.00 H new ATOM 0 HA PHE A 101 -18.865 -1.442 -7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -17.520 -0.026 -4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -18.003 -1.690 -4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -16.221 0.397 -7.225 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -16.481 -3.362 -5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -14.415 -0.534 -8.660 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.605 -4.250 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.586 -2.844 -8.281 1.00 0.00 H new ATOM 1558 N GLY A 102 -20.789 -0.189 -4.733 1.00 0.00 N ATOM 1559 CA GLY A 102 -22.061 -0.331 -4.040 1.00 0.00 C ATOM 1560 C GLY A 102 -21.931 -0.147 -2.530 1.00 0.00 C ATOM 1561 O GLY A 102 -22.521 -0.914 -1.768 1.00 0.00 O ATOM 0 H GLY A 102 -20.305 0.679 -4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.768 0.401 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.475 -1.317 -4.248 1.00 0.00 H new ATOM 1565 N VAL A 103 -21.135 0.824 -2.093 1.00 0.00 N ATOM 1566 CA VAL A 103 -20.862 1.152 -0.697 1.00 0.00 C ATOM 1567 C VAL A 103 -20.869 2.677 -0.576 1.00 0.00 C ATOM 1568 O VAL A 103 -20.132 3.220 0.277 1.00 0.00 O ATOM 1569 CB VAL A 103 -19.545 0.484 -0.232 1.00 0.00 C ATOM 1570 CG1 VAL A 103 -19.686 -1.042 -0.113 1.00 0.00 C ATOM 1571 CG2 VAL A 103 -18.355 0.833 -1.145 1.00 0.00 C ATOM 0 H VAL A 103 -20.636 1.437 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 103 -21.626 0.757 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 103 -19.339 0.890 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -18.739 -1.470 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -20.464 -1.280 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -19.955 -1.459 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.456 0.340 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -18.564 0.494 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.202 1.912 -1.147 1.00 0.00 H new TER 1581 VAL A 103 END