USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) HEADER MUSCLE PROTEIN 13-AUG-96 1NCT TITLE TITIN MODULE M5, N-TERMINALLY EXTENDED, NMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: TITIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINALLY EXTENDED MODULE M5; COMPND 5 SYNONYM: CONNECTIN, NEXTM5; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 TISSUE: CARDIAC MUSCLE; SOURCE 7 ORGANELLE: CYTOPLASMA/SARCOMERE; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: BL21 PLYS; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PET8C KEYWDS CELL ADHESION, GLYCOPROTEIN, TRANSMEMBRANE, REPEAT, BRAIN, KEYWDS 2 IMMUNOGLOBULIN FOLD, ALTERNATIVE SPLICING, SIGNAL, MUSCLE KEYWDS 3 PROTEIN EXPDTA SOLUTION NMR AUTHOR M.PFUHL,A.PASTORE REVDAT 2 24-FEB-09 1NCT 1 VERSN REVDAT 1 08-NOV-96 1NCT 0 JRNL AUTH M.PFUHL,S.IMPROTA,A.S.POLITOUS,A.PASTORE JRNL TITL WHEN A MODULE IS ALSO A DOMAIN: THE ROLE OF THE N JRNL TITL 2 TERMINUS IN THE STABILITY AND THE DYNAMICS OF JRNL TITL 3 IMMUNOGLOBULIN DOMAINS FROM TITIN. JRNL REF J.MOL.BIOL. V. 265 242 1997 JRNL REFN ISSN 0022-2836 JRNL PMID 9020985 JRNL DOI 10.1006/JMBI.1996.0725 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.IMPROTA,A.S.POLITOU,A.PASTORE REMARK 1 TITL IMMUNOGLOBULIN-LIKE MODULES FROM TITIN I-BAND REMARK 1 TITL 2 EXTENSIBLE COMPONENTS OF MUSCLE ELASTICITY REMARK 1 REF STRUCTURE V. 4 323 1996 REMARK 1 REFN ISSN 0969-2126 REMARK 1 REFERENCE 2 REMARK 1 AUTH M.PFUHL,A.PASTORE REMARK 1 TITL TERTIARY STRUCTURE OF AN IMMUNOGLOBULIN-LIKE REMARK 1 TITL 2 DOMAIN FROM THE GIANT MUSCLE PROTEIN TITIN: A NEW REMARK 1 TITL 3 MEMBER OF THE I SET REMARK 1 REF STRUCTURE V. 3 391 1995 REMARK 1 REFN ISSN 0969-2126 REMARK 1 REFERENCE 3 REMARK 1 AUTH M.PFUHL,M.GAUTEL,A.S.POLITOU,C.JOSEPH,A.PASTORE REMARK 1 TITL SECONDARY STRUCTURE DETERMINATION BY NMR REMARK 1 TITL 2 SPECTROSCOPY OF AN IMMUNOGLOBULIN-LIKE DOMAIN FROM REMARK 1 TITL 3 THE GIANT MUSCLE PROTEIN TITIN REMARK 1 REF J.BIOMOL.NMR V. 6 48 1995 REMARK 1 REFN ISSN 0925-2738 REMARK 1 REFERENCE 4 REMARK 1 AUTH A.S.POLITOU,M.GAUTEL,C.JOSEPH,A.PASTORE REMARK 1 TITL IMMUNOGLOBULIN-TYPE DOMAINS OF TITIN ARE REMARK 1 TITL 2 STABILIZED BY AMINO-TERMINAL EXTENSION REMARK 1 REF FEBS LETT. V. 352 27 1994 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NCT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 4.8 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: 20 MM ACETATE BUFFER, NO OTHER SALTS 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. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A -14 REMARK 465 HIS A -13 REMARK 465 HIS A -12 REMARK 465 HIS A -11 REMARK 465 HIS A -10 REMARK 465 HIS A -9 REMARK 465 HIS A -8 REMARK 465 SER A -7 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A -4 -81.59 -89.57 REMARK 500 THR A -3 28.37 -176.93 REMARK 500 LEU A -2 -153.40 -85.67 REMARK 500 ALA A -1 -114.85 -174.29 REMARK 500 ARG A 7 176.12 -56.56 REMARK 500 SER A 8 -164.61 -100.80 REMARK 500 MET A 9 -176.67 -177.79 REMARK 500 THR A 10 119.62 -163.95 REMARK 500 GLU A 13 -128.07 -155.57 REMARK 500 GLU A 15 -81.85 -53.12 REMARK 500 SER A 16 52.64 175.78 REMARK 500 SER A 20 131.52 -176.00 REMARK 500 ARG A 35 -40.72 -169.48 REMARK 500 LYS A 36 34.27 -177.16 REMARK 500 GLN A 38 85.29 52.80 REMARK 500 VAL A 39 96.67 38.23 REMARK 500 SER A 41 90.83 -33.09 REMARK 500 THR A 42 50.17 21.56 REMARK 500 ALA A 44 -32.64 174.44 REMARK 500 THR A 51 -84.47 -117.68 REMARK 500 LYS A 52 -68.07 -138.15 REMARK 500 LYS A 54 117.06 -164.06 REMARK 500 SER A 60 16.35 -163.24 REMARK 500 GLN A 63 -74.78 -110.08 REMARK 500 ALA A 64 27.32 -165.61 REMARK 500 SER A 65 17.33 -150.66 REMARK 500 GLU A 67 -167.14 52.01 REMARK 500 ASN A 69 112.50 -29.96 REMARK 500 SER A 77 -31.04 -35.18 REMARK 500 GLU A 78 -11.70 -150.45 REMARK 500 LYS A 80 74.72 -158.28 REMARK 500 PHE A 85 131.68 -177.93 REMARK 500 ILE A 89 48.68 -142.09 REMARK 500 GLN A 90 114.92 -37.77 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 1 0.20 SIDE_CHAIN REMARK 500 ARG A 7 0.24 SIDE_CHAIN REMARK 500 ARG A 18 0.30 SIDE_CHAIN REMARK 500 ARG A 35 0.27 SIDE_CHAIN REMARK 500 ARG A 45 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NCU RELATED DB: PDB DBREF 1NCT A -5 91 UNP Q10466 Q10466_HUMAN 26059 26155 SEQRES 1 A 106 MET HIS HIS HIS HIS HIS HIS SER SER LYS THR THR LEU SEQRES 2 A 106 ALA ALA ARG ILE LEU THR LYS PRO ARG SER MET THR VAL SEQRES 3 A 106 TYR GLU GLY GLU SER ALA ARG PHE SER CYS ASP THR ASP SEQRES 4 A 106 GLY GLU PRO VAL PRO THR VAL THR TRP LEU ARG LYS GLY SEQRES 5 A 106 GLN VAL LEU SER THR SER ALA ARG HIS GLN VAL THR THR SEQRES 6 A 106 THR LYS TYR LYS SER THR PHE GLU ILE SER SER VAL GLN SEQRES 7 A 106 ALA SER ASP GLU GLY ASN TYR SER VAL VAL VAL GLU ASN SEQRES 8 A 106 SER GLU GLY LYS GLN GLU ALA GLU PHE THR LEU THR ILE SEQRES 9 A 106 GLN LYS SHEET 1 S1 4 ALA A -1 LYS A 5 0 SHEET 2 S1 4 ARG A 18 GLU A 26 -1 N ASP A 22 O THR A 4 SHEET 3 S1 4 LYS A 54 ILE A 59 -1 N SER A 55 O CYS A 21 SHEET 4 S1 4 HIS A 46 THR A 51 -1 O THR A 49 N THR A 56 SHEET 1 S2 3 SER A 8 TYR A 12 0 SHEET 2 S2 3 GLY A 79 GLN A 90 1 N THR A 88 O MET A 9 SHEET 3 S2 3 GLY A 68 ASN A 76 -1 N VAL A 72 O ALA A 83 CISPEP 1 GLU A 26 PRO A 27 0 -0.60 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 12 TYR OH : rot -41:sc= 0.311 USER MOD Set 1.2: A 90 GLN : amide:sc= -7.73! C(o=-7.2!,f=-7.7!) USER MOD Set 1.3: A 91 LYS NZ :NH3+ -172:sc= 0.17 (180deg=0) USER MOD Set 2.1: A -6 SER N :NH3+ -151:sc= 0.0491 (180deg=-0.204) USER MOD Set 2.2: A -6 SER OG : rot -5:sc= -0.459! USER MOD Set 2.3: A 76 ASN : amide:sc= -7.58! C(o=-7.2!,f=-16!) USER MOD Set 2.4: A 77 SER OG : rot 119:sc= 0.744 USER MOD Set 3.1: A 61 SER OG : rot 160:sc= -1.73! USER MOD Set 3.2: A 63 GLN : amide:sc= -7.68! C(o=-9.4!,f=-17!) USER MOD Set 4.1: A 51 THR OG1 : rot -130:sc= 0.163 USER MOD Set 4.2: A 54 LYS NZ :NH3+ -156:sc= 0.165 (180deg=0) USER MOD Set 5.1: A 50 THR OG1 : rot -61:sc= -0.557! USER MOD Set 5.2: A 55 SER OG : rot -6:sc= -4.41! USER MOD Set 6.1: A 38 GLN : amide:sc= -4.21! C(o=-6.9!,f=-14!) USER MOD Set 6.2: A 43 SER OG : rot 148:sc= 0.867 USER MOD Set 6.3: A 46 HIS : no HE2:sc= -3.58! C(o=-6.9!,f=-12!) USER MOD Set 7.1: A 10 THR OG1 : rot -20:sc= 0.282 USER MOD Set 7.2: A 88 THR OG1 : rot 180:sc= 0.0739 USER MOD Single : A 4 THR OG1 : rot 180:sc= -4.01! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 178:sc= -2.1! USER MOD Single : A 9 MET CE :methyl -111:sc= -1.09 (180deg=-4.34!) USER MOD Single : A -3 THR OG1 : rot -37:sc= 1.16 USER MOD Single : A -4 THR OG1 : rot -170:sc= -1.32 USER MOD Single : A -5 LYS NZ :NH3+ -108:sc= 0.373 (180deg=-0.154) USER MOD Single : A 16 SER OG : rot 180:sc= -0.382 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -108:sc= -0.264 USER MOD Single : A 23 THR OG1 : rot 12:sc= 0.39! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 32 THR OG1 : rot 114:sc= 0.195 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0.161 (180deg=0.117) USER MOD Single : A 41 SER OG : rot 54:sc= 0.393 USER MOD Single : A 42 THR OG1 : rot 70:sc= 0.48 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.541 F(o=-1.1,f=-0.54) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0.104 (180deg=-0.441) USER MOD Single : A 53 TYR OH : rot -157:sc= 0.224 USER MOD Single : A 56 THR OG1 : rot 180:sc= -5.23! USER MOD Single : A 60 SER OG : rot 29:sc= 0.216 USER MOD Single : A 65 SER OG : rot -23:sc= 1.22 USER MOD Single : A 69 ASN : amide:sc= -2.82! C(o=-2.8!,f=-8.8!) USER MOD Single : A 70 TYR OH : rot 87:sc= -0.461 USER MOD Single : A 71 SER OG : rot 126:sc= -3.25 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.29 K(o=-2.3,f=-4.6!) USER MOD Single : A 86 THR OG1 : rot -6:sc= 0.669! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -6 22.528 -1.317 1.317 1.00 0.00 N ATOM 2 CA SER A -6 22.847 -0.097 2.113 1.00 0.00 C ATOM 3 C SER A -6 24.339 0.224 2.016 1.00 0.00 C ATOM 4 O SER A -6 25.120 -0.137 2.872 1.00 0.00 O ATOM 5 CB SER A -6 22.464 -0.446 3.549 1.00 0.00 C ATOM 6 OG SER A -6 21.047 -0.418 3.678 1.00 0.00 O ATOM 0 H1 SER A -6 21.547 -1.263 0.977 1.00 0.00 H new ATOM 0 H2 SER A -6 23.173 -1.379 0.504 1.00 0.00 H new ATOM 0 H3 SER A -6 22.641 -2.161 1.914 1.00 0.00 H new ATOM 0 HA SER A -6 22.311 0.781 1.753 1.00 0.00 H new ATOM 0 HB2 SER A -6 22.845 -1.434 3.809 1.00 0.00 H new ATOM 0 HB3 SER A -6 22.918 0.263 4.241 1.00 0.00 H new ATOM 0 HG SER A -6 20.649 -0.097 2.842 1.00 0.00 H new ATOM 11 N LYS A -5 24.735 0.905 0.976 1.00 0.00 N ATOM 12 CA LYS A -5 26.175 1.260 0.812 1.00 0.00 C ATOM 13 C LYS A -5 26.710 1.923 2.084 1.00 0.00 C ATOM 14 O LYS A -5 27.821 1.670 2.505 1.00 0.00 O ATOM 15 CB LYS A -5 26.220 2.238 -0.367 1.00 0.00 C ATOM 16 CG LYS A -5 25.254 3.406 -0.125 1.00 0.00 C ATOM 17 CD LYS A -5 25.991 4.549 0.575 1.00 0.00 C ATOM 18 CE LYS A -5 26.510 5.541 -0.470 1.00 0.00 C ATOM 19 NZ LYS A -5 25.327 6.367 -0.845 1.00 0.00 N ATOM 0 H LYS A -5 24.122 1.232 0.230 1.00 0.00 H new ATOM 0 HA LYS A -5 26.793 0.381 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A -5 27.234 2.616 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A -5 25.953 1.721 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A -5 24.843 3.753 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A -5 24.414 3.075 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A -5 25.321 5.055 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A -5 26.821 4.155 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A -5 27.309 6.160 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A -5 26.919 5.022 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A -5 25.015 6.112 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A -5 24.554 6.192 -0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A -5 25.585 7.374 -0.822 1.00 0.00 H new ATOM 33 N THR A -4 25.929 2.766 2.702 1.00 0.00 N ATOM 34 CA THR A -4 26.404 3.436 3.949 1.00 0.00 C ATOM 35 C THR A -4 26.038 2.588 5.167 1.00 0.00 C ATOM 36 O THR A -4 26.849 1.846 5.683 1.00 0.00 O ATOM 37 CB THR A -4 25.685 4.789 4.004 1.00 0.00 C ATOM 38 OG1 THR A -4 24.383 4.669 3.448 1.00 0.00 O ATOM 39 CG2 THR A -4 26.487 5.828 3.220 1.00 0.00 C ATOM 0 H THR A -4 24.988 3.020 2.401 1.00 0.00 H new ATOM 0 HA THR A -4 27.487 3.564 3.952 1.00 0.00 H new ATOM 0 HB THR A -4 25.600 5.107 5.043 1.00 0.00 H new ATOM 0 HG1 THR A -4 23.990 5.560 3.341 1.00 0.00 H new ATOM 0 HG21 THR A -4 25.975 6.789 3.260 1.00 0.00 H new ATOM 0 HG22 THR A -4 27.480 5.928 3.658 1.00 0.00 H new ATOM 0 HG23 THR A -4 26.579 5.509 2.182 1.00 0.00 H new ATOM 47 N THR A -3 24.822 2.691 5.630 1.00 0.00 N ATOM 48 CA THR A -3 24.410 1.883 6.820 1.00 0.00 C ATOM 49 C THR A -3 22.928 2.097 7.149 1.00 0.00 C ATOM 50 O THR A -3 22.517 1.979 8.286 1.00 0.00 O ATOM 51 CB THR A -3 25.282 2.392 7.971 1.00 0.00 C ATOM 52 OG1 THR A -3 24.883 1.761 9.180 1.00 0.00 O ATOM 53 CG2 THR A -3 25.119 3.907 8.107 1.00 0.00 C ATOM 0 H THR A -3 24.098 3.295 5.241 1.00 0.00 H new ATOM 0 HA THR A -3 24.538 0.816 6.640 1.00 0.00 H new ATOM 0 HB THR A -3 26.327 2.159 7.766 1.00 0.00 H new ATOM 0 HG1 THR A -3 23.909 1.651 9.186 1.00 0.00 H new ATOM 0 HG21 THR A -3 25.740 4.268 8.927 1.00 0.00 H new ATOM 0 HG22 THR A -3 25.425 4.391 7.179 1.00 0.00 H new ATOM 0 HG23 THR A -3 24.075 4.144 8.312 1.00 0.00 H new ATOM 61 N LEU A -2 22.119 2.408 6.173 1.00 0.00 N ATOM 62 CA LEU A -2 20.679 2.623 6.449 1.00 0.00 C ATOM 63 C LEU A -2 19.932 1.286 6.418 1.00 0.00 C ATOM 64 O LEU A -2 20.499 0.241 6.667 1.00 0.00 O ATOM 65 CB LEU A -2 20.205 3.537 5.320 1.00 0.00 C ATOM 66 CG LEU A -2 19.560 4.789 5.912 1.00 0.00 C ATOM 67 CD1 LEU A -2 19.061 5.691 4.782 1.00 0.00 C ATOM 68 CD2 LEU A -2 18.381 4.381 6.794 1.00 0.00 C ATOM 0 H LEU A -2 22.397 2.521 5.198 1.00 0.00 H new ATOM 0 HA LEU A -2 20.498 3.059 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A -2 21.047 3.814 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A -2 19.489 3.011 4.688 1.00 0.00 H new ATOM 0 HG LEU A -2 20.295 5.329 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A -2 18.601 6.584 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A -2 19.900 5.980 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A -2 18.325 5.152 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A -2 17.918 5.272 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A -2 17.648 3.842 6.194 1.00 0.00 H new ATOM 0 HD23 LEU A -2 18.735 3.738 7.600 1.00 0.00 H new ATOM 80 N ALA A -1 18.666 1.313 6.112 1.00 0.00 N ATOM 81 CA ALA A -1 17.879 0.052 6.065 1.00 0.00 C ATOM 82 C ALA A -1 16.462 0.351 5.543 1.00 0.00 C ATOM 83 O ALA A -1 16.295 0.749 4.407 1.00 0.00 O ATOM 84 CB ALA A -1 17.866 -0.457 7.510 1.00 0.00 C ATOM 0 H ALA A -1 18.140 2.159 5.891 1.00 0.00 H new ATOM 0 HA ALA A -1 18.301 -0.697 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.303 -1.389 7.563 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.889 -0.632 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.397 0.287 8.154 1.00 0.00 H new ATOM 90 N ALA A 0 15.442 0.174 6.343 1.00 0.00 N ATOM 91 CA ALA A 0 14.063 0.461 5.853 1.00 0.00 C ATOM 92 C ALA A 0 13.203 1.018 6.989 1.00 0.00 C ATOM 93 O ALA A 0 12.986 0.371 7.994 1.00 0.00 O ATOM 94 CB ALA A 0 13.517 -0.885 5.376 1.00 0.00 C ATOM 0 H ALA A 0 15.504 -0.154 7.307 1.00 0.00 H new ATOM 0 HA ALA A 0 14.057 1.205 5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 0 12.502 -0.753 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.152 -1.273 4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.507 -1.589 6.208 1.00 0.00 H new ATOM 100 N ARG A 1 12.711 2.214 6.832 1.00 0.00 N ATOM 101 CA ARG A 1 11.861 2.821 7.895 1.00 0.00 C ATOM 102 C ARG A 1 10.742 3.641 7.254 1.00 0.00 C ATOM 103 O ARG A 1 10.990 4.559 6.498 1.00 0.00 O ATOM 104 CB ARG A 1 12.803 3.723 8.694 1.00 0.00 C ATOM 105 CG ARG A 1 13.477 4.722 7.751 1.00 0.00 C ATOM 106 CD ARG A 1 13.073 6.145 8.141 1.00 0.00 C ATOM 107 NE ARG A 1 14.344 6.922 8.131 1.00 0.00 N ATOM 108 CZ ARG A 1 14.415 8.065 8.756 1.00 0.00 C ATOM 109 NH1 ARG A 1 13.415 8.902 8.701 1.00 0.00 N ATOM 110 NH2 ARG A 1 15.486 8.372 9.435 1.00 0.00 N ATOM 0 H ARG A 1 12.861 2.800 6.011 1.00 0.00 H new ATOM 0 HA ARG A 1 11.388 2.072 8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.247 4.254 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.557 3.121 9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.560 4.613 7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.185 4.519 6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.352 6.558 7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.605 6.167 9.125 1.00 0.00 H new ATOM 0 HE ARG A 1 15.159 6.560 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.578 8.662 8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.470 9.796 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.268 7.718 9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.541 9.266 9.924 1.00 0.00 H new ATOM 124 N ILE A 2 9.513 3.312 7.536 1.00 0.00 N ATOM 125 CA ILE A 2 8.385 4.070 6.927 1.00 0.00 C ATOM 126 C ILE A 2 8.239 5.443 7.583 1.00 0.00 C ATOM 127 O ILE A 2 7.519 5.613 8.547 1.00 0.00 O ATOM 128 CB ILE A 2 7.145 3.216 7.182 1.00 0.00 C ATOM 129 CG1 ILE A 2 7.301 1.878 6.452 1.00 0.00 C ATOM 130 CG2 ILE A 2 5.907 3.951 6.658 1.00 0.00 C ATOM 131 CD1 ILE A 2 6.017 1.059 6.586 1.00 0.00 C ATOM 0 H ILE A 2 9.241 2.553 8.160 1.00 0.00 H new ATOM 0 HA ILE A 2 8.544 4.250 5.864 1.00 0.00 H new ATOM 0 HB ILE A 2 7.030 3.036 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.523 2.052 5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.142 1.323 6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.020 3.344 6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.805 4.905 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.014 4.127 5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.135 0.109 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.813 0.871 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.186 1.612 6.149 1.00 0.00 H new ATOM 143 N LEU A 3 8.909 6.429 7.053 1.00 0.00 N ATOM 144 CA LEU A 3 8.811 7.806 7.620 1.00 0.00 C ATOM 145 C LEU A 3 7.340 8.186 7.815 1.00 0.00 C ATOM 146 O LEU A 3 6.969 8.842 8.769 1.00 0.00 O ATOM 147 CB LEU A 3 9.459 8.689 6.555 1.00 0.00 C ATOM 148 CG LEU A 3 9.612 10.111 7.079 1.00 0.00 C ATOM 149 CD1 LEU A 3 10.989 10.642 6.678 1.00 0.00 C ATOM 150 CD2 LEU A 3 8.520 10.992 6.466 1.00 0.00 C ATOM 0 H LEU A 3 9.525 6.340 6.245 1.00 0.00 H new ATOM 0 HA LEU A 3 9.293 7.905 8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.434 8.287 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.850 8.689 5.651 1.00 0.00 H new ATOM 0 HG LEU A 3 9.518 10.123 8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.108 11.660 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.763 10.006 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.078 10.639 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.624 12.012 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.617 10.989 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.540 10.603 6.743 1.00 0.00 H new ATOM 162 N THR A 4 6.509 7.759 6.913 1.00 0.00 N ATOM 163 CA THR A 4 5.054 8.055 7.007 1.00 0.00 C ATOM 164 C THR A 4 4.274 6.935 6.314 1.00 0.00 C ATOM 165 O THR A 4 4.728 6.369 5.339 1.00 0.00 O ATOM 166 CB THR A 4 4.865 9.382 6.270 1.00 0.00 C ATOM 167 OG1 THR A 4 5.679 10.377 6.876 1.00 0.00 O ATOM 168 CG2 THR A 4 3.398 9.806 6.344 1.00 0.00 C ATOM 0 H THR A 4 6.779 7.207 6.099 1.00 0.00 H new ATOM 0 HA THR A 4 4.699 8.120 8.035 1.00 0.00 H new ATOM 0 HB THR A 4 5.152 9.262 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.561 11.228 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.266 10.752 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.775 9.042 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.106 9.927 7.387 1.00 0.00 H new ATOM 176 N LYS A 5 3.118 6.597 6.807 1.00 0.00 N ATOM 177 CA LYS A 5 2.341 5.505 6.171 1.00 0.00 C ATOM 178 C LYS A 5 1.109 6.074 5.452 1.00 0.00 C ATOM 179 O LYS A 5 0.860 7.262 5.498 1.00 0.00 O ATOM 180 CB LYS A 5 1.936 4.595 7.336 1.00 0.00 C ATOM 181 CG LYS A 5 0.972 5.340 8.263 1.00 0.00 C ATOM 182 CD LYS A 5 1.519 5.319 9.692 1.00 0.00 C ATOM 183 CE LYS A 5 2.025 6.714 10.065 1.00 0.00 C ATOM 184 NZ LYS A 5 2.012 6.742 11.554 1.00 0.00 N ATOM 0 H LYS A 5 2.680 7.029 7.620 1.00 0.00 H new ATOM 0 HA LYS A 5 2.911 4.966 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.463 3.690 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.821 4.283 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.848 6.369 7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.013 4.873 8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.740 5.005 10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.328 4.593 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.028 6.887 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.383 7.491 9.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.347 7.669 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.043 6.581 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.637 5.996 11.921 1.00 0.00 H new ATOM 198 N PRO A 6 0.383 5.202 4.801 1.00 0.00 N ATOM 199 CA PRO A 6 -0.823 5.610 4.060 1.00 0.00 C ATOM 200 C PRO A 6 -2.059 5.536 4.960 1.00 0.00 C ATOM 201 O PRO A 6 -2.420 4.483 5.448 1.00 0.00 O ATOM 202 CB PRO A 6 -0.906 4.571 2.946 1.00 0.00 C ATOM 203 CG PRO A 6 -0.171 3.360 3.457 1.00 0.00 C ATOM 204 CD PRO A 6 0.607 3.763 4.690 1.00 0.00 C ATOM 0 HA PRO A 6 -0.779 6.635 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.943 4.329 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.452 4.945 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.874 2.562 3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.503 2.974 2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.252 3.235 5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.667 3.532 4.585 1.00 0.00 H new ATOM 212 N ARG A 7 -2.718 6.641 5.178 1.00 0.00 N ATOM 213 CA ARG A 7 -3.933 6.617 6.040 1.00 0.00 C ATOM 214 C ARG A 7 -4.939 5.611 5.477 1.00 0.00 C ATOM 215 O ARG A 7 -4.722 5.023 4.436 1.00 0.00 O ATOM 216 CB ARG A 7 -4.496 8.037 5.976 1.00 0.00 C ATOM 217 CG ARG A 7 -4.862 8.377 4.531 1.00 0.00 C ATOM 218 CD ARG A 7 -4.809 9.893 4.334 1.00 0.00 C ATOM 219 NE ARG A 7 -3.587 10.133 3.517 1.00 0.00 N ATOM 220 CZ ARG A 7 -2.983 11.288 3.570 1.00 0.00 C ATOM 221 NH1 ARG A 7 -3.664 12.389 3.403 1.00 0.00 N ATOM 222 NH2 ARG A 7 -1.698 11.343 3.789 1.00 0.00 N ATOM 0 H ARG A 7 -2.469 7.555 4.799 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.715 6.319 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.376 8.120 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.761 8.748 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.172 7.886 3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.860 8.004 4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.702 10.256 3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.753 10.414 5.290 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.222 9.394 2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.668 12.346 3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.192 13.292 3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.165 10.483 3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.226 12.246 3.830 1.00 0.00 H new ATOM 236 N SER A 8 -6.034 5.402 6.151 1.00 0.00 N ATOM 237 CA SER A 8 -7.037 4.430 5.641 1.00 0.00 C ATOM 238 C SER A 8 -8.190 5.161 4.956 1.00 0.00 C ATOM 239 O SER A 8 -8.094 6.325 4.624 1.00 0.00 O ATOM 240 CB SER A 8 -7.534 3.689 6.877 1.00 0.00 C ATOM 241 OG SER A 8 -6.420 3.203 7.612 1.00 0.00 O ATOM 0 H SER A 8 -6.277 5.860 7.029 1.00 0.00 H new ATOM 0 HA SER A 8 -6.611 3.752 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.132 4.355 7.499 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.180 2.861 6.584 1.00 0.00 H new ATOM 0 HG SER A 8 -6.735 2.755 8.425 1.00 0.00 H new ATOM 247 N MET A 9 -9.277 4.477 4.737 1.00 0.00 N ATOM 248 CA MET A 9 -10.446 5.103 4.066 1.00 0.00 C ATOM 249 C MET A 9 -11.590 4.095 3.990 1.00 0.00 C ATOM 250 O MET A 9 -11.487 2.986 4.477 1.00 0.00 O ATOM 251 CB MET A 9 -9.959 5.444 2.664 1.00 0.00 C ATOM 252 CG MET A 9 -10.535 6.792 2.231 1.00 0.00 C ATOM 253 SD MET A 9 -9.896 8.101 3.306 1.00 0.00 S ATOM 254 CE MET A 9 -8.362 8.412 2.398 1.00 0.00 C ATOM 0 H MET A 9 -9.405 3.499 4.998 1.00 0.00 H new ATOM 0 HA MET A 9 -10.812 5.981 4.598 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.870 5.481 2.646 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.263 4.666 1.964 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.268 6.997 1.194 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.624 6.766 2.281 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.513 8.077 2.993 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.381 7.867 1.454 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.267 9.479 2.199 1.00 0.00 H new ATOM 264 N THR A 10 -12.672 4.463 3.369 1.00 0.00 N ATOM 265 CA THR A 10 -13.820 3.522 3.249 1.00 0.00 C ATOM 266 C THR A 10 -14.787 4.003 2.172 1.00 0.00 C ATOM 267 O THR A 10 -15.344 5.080 2.256 1.00 0.00 O ATOM 268 CB THR A 10 -14.505 3.542 4.613 1.00 0.00 C ATOM 269 OG1 THR A 10 -13.607 3.074 5.609 1.00 0.00 O ATOM 270 CG2 THR A 10 -15.740 2.643 4.575 1.00 0.00 C ATOM 0 H THR A 10 -12.813 5.377 2.938 1.00 0.00 H new ATOM 0 HA THR A 10 -13.495 2.520 2.969 1.00 0.00 H new ATOM 0 HB THR A 10 -14.804 4.563 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.894 2.551 5.187 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.230 2.657 5.549 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.432 3.007 3.815 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.440 1.623 4.334 1.00 0.00 H new ATOM 278 N VAL A 11 -14.995 3.211 1.162 1.00 0.00 N ATOM 279 CA VAL A 11 -15.930 3.617 0.083 1.00 0.00 C ATOM 280 C VAL A 11 -16.895 2.475 -0.224 1.00 0.00 C ATOM 281 O VAL A 11 -16.799 1.403 0.339 1.00 0.00 O ATOM 282 CB VAL A 11 -15.037 3.900 -1.119 1.00 0.00 C ATOM 283 CG1 VAL A 11 -14.025 4.984 -0.760 1.00 0.00 C ATOM 284 CG2 VAL A 11 -14.294 2.626 -1.510 1.00 0.00 C ATOM 0 H VAL A 11 -14.557 2.298 1.037 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.534 4.482 0.355 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.651 4.237 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.387 5.185 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.553 5.895 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.412 4.647 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.655 2.827 -2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.682 2.291 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.014 1.849 -1.767 1.00 0.00 H new ATOM 294 N TYR A 12 -17.812 2.685 -1.123 1.00 0.00 N ATOM 295 CA TYR A 12 -18.758 1.594 -1.471 1.00 0.00 C ATOM 296 C TYR A 12 -18.112 0.698 -2.524 1.00 0.00 C ATOM 297 O TYR A 12 -18.402 -0.474 -2.629 1.00 0.00 O ATOM 298 CB TYR A 12 -19.987 2.291 -2.050 1.00 0.00 C ATOM 299 CG TYR A 12 -21.248 1.591 -1.587 1.00 0.00 C ATOM 300 CD1 TYR A 12 -21.492 1.405 -0.219 1.00 0.00 C ATOM 301 CD2 TYR A 12 -22.184 1.141 -2.529 1.00 0.00 C ATOM 302 CE1 TYR A 12 -22.666 0.771 0.202 1.00 0.00 C ATOM 303 CE2 TYR A 12 -23.361 0.516 -2.104 1.00 0.00 C ATOM 304 CZ TYR A 12 -23.603 0.331 -0.739 1.00 0.00 C ATOM 305 OH TYR A 12 -24.762 -0.288 -0.319 1.00 0.00 O ATOM 0 H TYR A 12 -17.947 3.560 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 12 -19.020 0.974 -0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -20.005 3.335 -1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.938 2.287 -3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.774 1.751 0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.996 1.277 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.849 0.621 1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -24.084 0.176 -2.831 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.557 -0.903 0.416 1.00 0.00 H new ATOM 315 N GLU A 13 -17.230 1.253 -3.306 1.00 0.00 N ATOM 316 CA GLU A 13 -16.552 0.449 -4.361 1.00 0.00 C ATOM 317 C GLU A 13 -15.199 1.094 -4.710 1.00 0.00 C ATOM 318 O GLU A 13 -14.399 1.361 -3.838 1.00 0.00 O ATOM 319 CB GLU A 13 -17.522 0.470 -5.546 1.00 0.00 C ATOM 320 CG GLU A 13 -17.836 1.919 -5.928 1.00 0.00 C ATOM 321 CD GLU A 13 -18.834 1.937 -7.087 1.00 0.00 C ATOM 322 OE1 GLU A 13 -19.621 1.009 -7.181 1.00 0.00 O ATOM 323 OE2 GLU A 13 -18.794 2.878 -7.863 1.00 0.00 O ATOM 0 H GLU A 13 -16.948 2.232 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.332 -0.573 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.085 -0.054 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.441 -0.055 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.249 2.451 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.921 2.437 -6.214 1.00 0.00 H new ATOM 330 N GLY A 14 -14.924 1.346 -5.962 1.00 0.00 N ATOM 331 CA GLY A 14 -13.619 1.970 -6.320 1.00 0.00 C ATOM 332 C GLY A 14 -13.819 3.468 -6.549 1.00 0.00 C ATOM 333 O GLY A 14 -13.527 3.988 -7.609 1.00 0.00 O ATOM 0 H GLY A 14 -15.543 1.148 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.894 1.806 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.215 1.504 -7.219 1.00 0.00 H new ATOM 337 N GLU A 15 -14.312 4.168 -5.566 1.00 0.00 N ATOM 338 CA GLU A 15 -14.528 5.632 -5.733 1.00 0.00 C ATOM 339 C GLU A 15 -13.239 6.306 -6.208 1.00 0.00 C ATOM 340 O GLU A 15 -13.054 6.562 -7.381 1.00 0.00 O ATOM 341 CB GLU A 15 -14.930 6.139 -4.346 1.00 0.00 C ATOM 342 CG GLU A 15 -16.389 6.599 -4.376 1.00 0.00 C ATOM 343 CD GLU A 15 -16.478 7.971 -5.048 1.00 0.00 C ATOM 344 OE1 GLU A 15 -15.452 8.622 -5.165 1.00 0.00 O ATOM 345 OE2 GLU A 15 -17.572 8.348 -5.435 1.00 0.00 O ATOM 0 H GLU A 15 -14.574 3.790 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.291 5.855 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.802 5.349 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.283 6.964 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.998 5.876 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.785 6.652 -3.362 1.00 0.00 H new ATOM 352 N SER A 16 -12.344 6.596 -5.305 1.00 0.00 N ATOM 353 CA SER A 16 -11.059 7.255 -5.696 1.00 0.00 C ATOM 354 C SER A 16 -10.239 7.578 -4.447 1.00 0.00 C ATOM 355 O SER A 16 -9.812 8.697 -4.246 1.00 0.00 O ATOM 356 CB SER A 16 -11.455 8.549 -6.415 1.00 0.00 C ATOM 357 OG SER A 16 -12.707 9.001 -5.917 1.00 0.00 O ATOM 0 H SER A 16 -12.445 6.405 -4.308 1.00 0.00 H new ATOM 0 HA SER A 16 -10.452 6.612 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.692 9.312 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.519 8.376 -7.489 1.00 0.00 H new ATOM 0 HG SER A 16 -12.961 9.829 -6.375 1.00 0.00 H new ATOM 363 N ALA A 17 -10.015 6.607 -3.606 1.00 0.00 N ATOM 364 CA ALA A 17 -9.220 6.859 -2.372 1.00 0.00 C ATOM 365 C ALA A 17 -7.727 6.778 -2.692 1.00 0.00 C ATOM 366 O ALA A 17 -7.246 5.782 -3.193 1.00 0.00 O ATOM 367 CB ALA A 17 -9.624 5.747 -1.404 1.00 0.00 C ATOM 0 H ALA A 17 -10.348 5.650 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.406 7.847 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.079 5.864 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.695 5.805 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.387 4.778 -1.843 1.00 0.00 H new ATOM 373 N ARG A 18 -6.992 7.820 -2.414 1.00 0.00 N ATOM 374 CA ARG A 18 -5.531 7.800 -2.710 1.00 0.00 C ATOM 375 C ARG A 18 -4.725 7.693 -1.413 1.00 0.00 C ATOM 376 O ARG A 18 -5.117 8.200 -0.381 1.00 0.00 O ATOM 377 CB ARG A 18 -5.251 9.131 -3.407 1.00 0.00 C ATOM 378 CG ARG A 18 -4.382 8.887 -4.643 1.00 0.00 C ATOM 379 CD ARG A 18 -3.238 9.903 -4.672 1.00 0.00 C ATOM 380 NE ARG A 18 -3.823 11.121 -5.297 1.00 0.00 N ATOM 381 CZ ARG A 18 -3.256 12.283 -5.118 1.00 0.00 C ATOM 382 NH1 ARG A 18 -2.144 12.568 -5.739 1.00 0.00 N ATOM 383 NH2 ARG A 18 -3.800 13.158 -4.318 1.00 0.00 N ATOM 0 H ARG A 18 -7.339 8.683 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.248 6.947 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.188 9.606 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.746 9.813 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.982 7.873 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.984 8.976 -5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.870 10.112 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.393 9.530 -5.250 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.667 11.047 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.719 11.883 -6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.700 13.476 -5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.669 12.934 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.357 14.066 -4.178 1.00 0.00 H new ATOM 397 N PHE A 19 -3.601 7.033 -1.460 1.00 0.00 N ATOM 398 CA PHE A 19 -2.766 6.888 -0.229 1.00 0.00 C ATOM 399 C PHE A 19 -1.290 7.118 -0.552 1.00 0.00 C ATOM 400 O PHE A 19 -0.912 7.306 -1.691 1.00 0.00 O ATOM 401 CB PHE A 19 -2.973 5.444 0.230 1.00 0.00 C ATOM 402 CG PHE A 19 -4.443 5.172 0.408 1.00 0.00 C ATOM 403 CD1 PHE A 19 -5.187 5.927 1.319 1.00 0.00 C ATOM 404 CD2 PHE A 19 -5.062 4.164 -0.338 1.00 0.00 C ATOM 405 CE1 PHE A 19 -6.552 5.675 1.483 1.00 0.00 C ATOM 406 CE2 PHE A 19 -6.426 3.912 -0.176 1.00 0.00 C ATOM 407 CZ PHE A 19 -7.174 4.667 0.736 1.00 0.00 C ATOM 0 H PHE A 19 -3.223 6.587 -2.296 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.048 7.612 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.553 4.756 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.446 5.272 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.708 6.704 1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.485 3.580 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.128 6.258 2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.904 3.135 -0.754 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.229 4.472 0.863 1.00 0.00 H new ATOM 417 N SER A 20 -0.448 7.085 0.445 1.00 0.00 N ATOM 418 CA SER A 20 1.006 7.281 0.195 1.00 0.00 C ATOM 419 C SER A 20 1.806 7.106 1.478 1.00 0.00 C ATOM 420 O SER A 20 1.497 7.674 2.506 1.00 0.00 O ATOM 421 CB SER A 20 1.156 8.703 -0.319 1.00 0.00 C ATOM 422 OG SER A 20 2.504 9.119 -0.141 1.00 0.00 O ATOM 0 H SER A 20 -0.705 6.931 1.420 1.00 0.00 H new ATOM 0 HA SER A 20 1.381 6.549 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.882 8.753 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.482 9.371 0.218 1.00 0.00 H new ATOM 0 HG SER A 20 2.610 10.035 -0.472 1.00 0.00 H new ATOM 428 N CYS A 21 2.844 6.334 1.409 1.00 0.00 N ATOM 429 CA CYS A 21 3.698 6.116 2.602 1.00 0.00 C ATOM 430 C CYS A 21 5.136 6.508 2.259 1.00 0.00 C ATOM 431 O CYS A 21 5.699 6.026 1.302 1.00 0.00 O ATOM 432 CB CYS A 21 3.591 4.621 2.889 1.00 0.00 C ATOM 433 SG CYS A 21 4.133 3.679 1.444 1.00 0.00 S ATOM 0 H CYS A 21 3.142 5.838 0.569 1.00 0.00 H new ATOM 0 HA CYS A 21 3.396 6.708 3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.203 4.363 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.562 4.362 3.138 1.00 0.00 H new ATOM 0 HG CYS A 21 3.103 3.127 0.874 1.00 0.00 H new ATOM 439 N ASP A 22 5.736 7.386 3.009 1.00 0.00 N ATOM 440 CA ASP A 22 7.133 7.790 2.675 1.00 0.00 C ATOM 441 C ASP A 22 8.124 6.882 3.393 1.00 0.00 C ATOM 442 O ASP A 22 8.243 6.907 4.597 1.00 0.00 O ATOM 443 CB ASP A 22 7.277 9.230 3.160 1.00 0.00 C ATOM 444 CG ASP A 22 6.092 10.074 2.674 1.00 0.00 C ATOM 445 OD1 ASP A 22 5.350 9.592 1.832 1.00 0.00 O ATOM 446 OD2 ASP A 22 5.948 11.187 3.153 1.00 0.00 O ATOM 0 H ASP A 22 5.329 7.838 3.828 1.00 0.00 H new ATOM 0 HA ASP A 22 7.335 7.709 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.326 9.252 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.211 9.654 2.791 1.00 0.00 H new ATOM 451 N THR A 23 8.829 6.073 2.664 1.00 0.00 N ATOM 452 CA THR A 23 9.803 5.155 3.316 1.00 0.00 C ATOM 453 C THR A 23 11.225 5.465 2.851 1.00 0.00 C ATOM 454 O THR A 23 11.486 5.638 1.678 1.00 0.00 O ATOM 455 CB THR A 23 9.391 3.749 2.879 1.00 0.00 C ATOM 456 OG1 THR A 23 9.719 3.566 1.509 1.00 0.00 O ATOM 457 CG2 THR A 23 7.883 3.565 3.075 1.00 0.00 C ATOM 0 H THR A 23 8.776 6.005 1.648 1.00 0.00 H new ATOM 0 HA THR A 23 9.796 5.261 4.401 1.00 0.00 H new ATOM 0 HB THR A 23 9.922 3.013 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.294 4.301 1.209 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.595 2.561 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.633 3.703 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.346 4.300 2.476 1.00 0.00 H new ATOM 465 N ASP A 24 12.144 5.532 3.770 1.00 0.00 N ATOM 466 CA ASP A 24 13.559 5.826 3.398 1.00 0.00 C ATOM 467 C ASP A 24 14.417 4.564 3.536 1.00 0.00 C ATOM 468 O ASP A 24 14.021 3.599 4.158 1.00 0.00 O ATOM 469 CB ASP A 24 14.016 6.895 4.388 1.00 0.00 C ATOM 470 CG ASP A 24 13.651 8.280 3.850 1.00 0.00 C ATOM 471 OD1 ASP A 24 12.472 8.592 3.825 1.00 0.00 O ATOM 472 OD2 ASP A 24 14.557 9.004 3.472 1.00 0.00 O ATOM 0 H ASP A 24 11.978 5.396 4.767 1.00 0.00 H new ATOM 0 HA ASP A 24 13.652 6.161 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.544 6.734 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.093 6.826 4.543 1.00 0.00 H new ATOM 477 N GLY A 25 15.591 4.569 2.961 1.00 0.00 N ATOM 478 CA GLY A 25 16.479 3.373 3.056 1.00 0.00 C ATOM 479 C GLY A 25 17.669 3.547 2.109 1.00 0.00 C ATOM 480 O GLY A 25 17.664 4.400 1.243 1.00 0.00 O ATOM 0 H GLY A 25 15.974 5.351 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.830 3.248 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.923 2.472 2.797 1.00 0.00 H new ATOM 484 N GLU A 26 18.693 2.749 2.264 1.00 0.00 N ATOM 485 CA GLU A 26 19.879 2.881 1.368 1.00 0.00 C ATOM 486 C GLU A 26 20.201 1.528 0.695 1.00 0.00 C ATOM 487 O GLU A 26 20.172 0.508 1.353 1.00 0.00 O ATOM 488 CB GLU A 26 21.021 3.300 2.292 1.00 0.00 C ATOM 489 CG GLU A 26 22.258 3.628 1.455 1.00 0.00 C ATOM 490 CD GLU A 26 22.160 5.068 0.948 1.00 0.00 C ATOM 491 OE1 GLU A 26 21.172 5.383 0.305 1.00 0.00 O ATOM 492 OE2 GLU A 26 23.074 5.831 1.212 1.00 0.00 O ATOM 0 H GLU A 26 18.759 2.015 2.969 1.00 0.00 H new ATOM 0 HA GLU A 26 19.711 3.600 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.727 4.168 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.247 2.499 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.160 3.502 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.335 2.939 0.614 1.00 0.00 H new ATOM 499 N PRO A 27 20.509 1.542 -0.593 1.00 0.00 N ATOM 500 CA PRO A 27 20.541 2.795 -1.400 1.00 0.00 C ATOM 501 C PRO A 27 19.114 3.266 -1.668 1.00 0.00 C ATOM 502 O PRO A 27 18.850 4.438 -1.848 1.00 0.00 O ATOM 503 CB PRO A 27 21.233 2.380 -2.694 1.00 0.00 C ATOM 504 CG PRO A 27 20.989 0.910 -2.806 1.00 0.00 C ATOM 505 CD PRO A 27 20.864 0.370 -1.404 1.00 0.00 C ATOM 0 HA PRO A 27 21.056 3.619 -0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.823 2.915 -3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.300 2.602 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.081 0.713 -3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.809 0.423 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 27 20.098 -0.403 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.798 -0.079 -1.066 1.00 0.00 H new ATOM 513 N VAL A 28 18.196 2.348 -1.682 1.00 0.00 N ATOM 514 CA VAL A 28 16.774 2.697 -1.917 1.00 0.00 C ATOM 515 C VAL A 28 15.891 1.687 -1.164 1.00 0.00 C ATOM 516 O VAL A 28 16.208 0.516 -1.107 1.00 0.00 O ATOM 517 CB VAL A 28 16.597 2.596 -3.436 1.00 0.00 C ATOM 518 CG1 VAL A 28 15.114 2.480 -3.789 1.00 0.00 C ATOM 519 CG2 VAL A 28 17.170 3.855 -4.090 1.00 0.00 C ATOM 0 H VAL A 28 18.374 1.354 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 28 16.495 3.689 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 28 17.120 1.711 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.002 2.409 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.697 1.588 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.584 3.361 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.048 3.791 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.641 4.732 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.230 3.940 -3.849 1.00 0.00 H new ATOM 529 N PRO A 29 14.821 2.176 -0.591 1.00 0.00 N ATOM 530 CA PRO A 29 13.911 1.294 0.176 1.00 0.00 C ATOM 531 C PRO A 29 13.016 0.486 -0.771 1.00 0.00 C ATOM 532 O PRO A 29 13.173 0.523 -1.975 1.00 0.00 O ATOM 533 CB PRO A 29 13.077 2.274 0.996 1.00 0.00 C ATOM 534 CG PRO A 29 13.101 3.556 0.224 1.00 0.00 C ATOM 535 CD PRO A 29 14.363 3.572 -0.598 1.00 0.00 C ATOM 0 HA PRO A 29 14.440 0.565 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.057 1.911 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.495 2.408 1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.224 3.631 -0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.074 4.410 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.172 3.923 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.110 4.238 -0.166 1.00 0.00 H new ATOM 543 N THR A 30 12.075 -0.240 -0.231 1.00 0.00 N ATOM 544 CA THR A 30 11.163 -1.049 -1.089 1.00 0.00 C ATOM 545 C THR A 30 9.778 -1.124 -0.440 1.00 0.00 C ATOM 546 O THR A 30 9.650 -1.117 0.768 1.00 0.00 O ATOM 547 CB THR A 30 11.803 -2.436 -1.156 1.00 0.00 C ATOM 548 OG1 THR A 30 13.217 -2.301 -1.202 1.00 0.00 O ATOM 549 CG2 THR A 30 11.317 -3.164 -2.410 1.00 0.00 C ATOM 0 H THR A 30 11.898 -0.308 0.771 1.00 0.00 H new ATOM 0 HA THR A 30 11.032 -0.619 -2.082 1.00 0.00 H new ATOM 0 HB THR A 30 11.521 -3.010 -0.274 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.629 -3.189 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.774 -4.153 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.232 -3.267 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.598 -2.592 -3.294 1.00 0.00 H new ATOM 557 N VAL A 31 8.740 -1.187 -1.228 1.00 0.00 N ATOM 558 CA VAL A 31 7.371 -1.251 -0.642 1.00 0.00 C ATOM 559 C VAL A 31 6.575 -2.414 -1.250 1.00 0.00 C ATOM 560 O VAL A 31 6.525 -2.586 -2.451 1.00 0.00 O ATOM 561 CB VAL A 31 6.734 0.100 -0.995 1.00 0.00 C ATOM 562 CG1 VAL A 31 6.415 0.151 -2.481 1.00 0.00 C ATOM 563 CG2 VAL A 31 5.436 0.295 -0.213 1.00 0.00 C ATOM 0 H VAL A 31 8.780 -1.197 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 31 7.387 -1.426 0.434 1.00 0.00 H new ATOM 0 HB VAL A 31 7.441 0.889 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.963 1.113 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.333 0.027 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.719 -0.650 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.995 1.257 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.737 -0.504 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.648 0.270 0.856 1.00 0.00 H new ATOM 573 N THR A 32 5.931 -3.192 -0.432 1.00 0.00 N ATOM 574 CA THR A 32 5.115 -4.312 -0.966 1.00 0.00 C ATOM 575 C THR A 32 3.748 -4.266 -0.306 1.00 0.00 C ATOM 576 O THR A 32 3.587 -4.619 0.835 1.00 0.00 O ATOM 577 CB THR A 32 5.847 -5.596 -0.592 1.00 0.00 C ATOM 578 OG1 THR A 32 7.225 -5.470 -0.918 1.00 0.00 O ATOM 579 CG2 THR A 32 5.235 -6.769 -1.369 1.00 0.00 C ATOM 0 H THR A 32 5.934 -3.101 0.584 1.00 0.00 H new ATOM 0 HA THR A 32 4.980 -4.252 -2.046 1.00 0.00 H new ATOM 0 HB THR A 32 5.748 -5.777 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.758 -5.479 -0.096 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.754 -7.690 -1.106 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.179 -6.862 -1.115 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.336 -6.589 -2.439 1.00 0.00 H new ATOM 587 N TRP A 33 2.772 -3.814 -1.011 1.00 0.00 N ATOM 588 CA TRP A 33 1.409 -3.720 -0.420 1.00 0.00 C ATOM 589 C TRP A 33 0.765 -5.107 -0.362 1.00 0.00 C ATOM 590 O TRP A 33 0.765 -5.835 -1.331 1.00 0.00 O ATOM 591 CB TRP A 33 0.637 -2.802 -1.363 1.00 0.00 C ATOM 592 CG TRP A 33 1.341 -1.491 -1.467 1.00 0.00 C ATOM 593 CD1 TRP A 33 2.358 -1.230 -2.305 1.00 0.00 C ATOM 594 CD2 TRP A 33 1.098 -0.273 -0.727 1.00 0.00 C ATOM 595 NE1 TRP A 33 2.773 0.077 -2.120 1.00 0.00 N ATOM 596 CE2 TRP A 33 2.018 0.712 -1.152 1.00 0.00 C ATOM 597 CE3 TRP A 33 0.176 0.060 0.265 1.00 0.00 C ATOM 598 CZ2 TRP A 33 2.018 1.994 -0.601 1.00 0.00 C ATOM 599 CZ3 TRP A 33 0.167 1.348 0.826 1.00 0.00 C ATOM 600 CH2 TRP A 33 1.088 2.314 0.393 1.00 0.00 C ATOM 0 H TRP A 33 2.849 -3.501 -1.979 1.00 0.00 H new ATOM 0 HA TRP A 33 1.421 -3.336 0.600 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.554 -3.261 -2.348 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.378 -2.654 -0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.784 -1.929 -3.010 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.538 0.516 -2.632 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.536 -0.678 0.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.730 2.732 -0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.551 1.596 1.593 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.079 3.303 0.827 1.00 0.00 H new ATOM 611 N LEU A 34 0.215 -5.475 0.764 1.00 0.00 N ATOM 612 CA LEU A 34 -0.440 -6.812 0.875 1.00 0.00 C ATOM 613 C LEU A 34 -1.129 -6.963 2.228 1.00 0.00 C ATOM 614 O LEU A 34 -0.736 -6.374 3.216 1.00 0.00 O ATOM 615 CB LEU A 34 0.675 -7.849 0.705 1.00 0.00 C ATOM 616 CG LEU A 34 1.646 -7.785 1.884 1.00 0.00 C ATOM 617 CD1 LEU A 34 1.949 -9.202 2.374 1.00 0.00 C ATOM 618 CD2 LEU A 34 2.939 -7.119 1.429 1.00 0.00 C ATOM 0 H LEU A 34 0.191 -4.908 1.612 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.213 -6.941 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.244 -8.848 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.211 -7.667 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 34 1.201 -7.210 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.641 -9.156 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.024 -9.683 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.398 -9.778 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.637 -7.070 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.382 -7.700 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.724 -6.110 1.076 1.00 0.00 H new ATOM 630 N ARG A 35 -2.162 -7.748 2.269 1.00 0.00 N ATOM 631 CA ARG A 35 -2.897 -7.949 3.537 1.00 0.00 C ATOM 632 C ARG A 35 -3.887 -9.103 3.368 1.00 0.00 C ATOM 633 O ARG A 35 -4.061 -9.929 4.242 1.00 0.00 O ATOM 634 CB ARG A 35 -3.622 -6.627 3.763 1.00 0.00 C ATOM 635 CG ARG A 35 -4.637 -6.771 4.899 1.00 0.00 C ATOM 636 CD ARG A 35 -3.940 -7.284 6.164 1.00 0.00 C ATOM 637 NE ARG A 35 -5.048 -7.667 7.082 1.00 0.00 N ATOM 638 CZ ARG A 35 -4.784 -8.285 8.201 1.00 0.00 C ATOM 639 NH1 ARG A 35 -4.006 -7.725 9.087 1.00 0.00 N ATOM 640 NH2 ARG A 35 -5.298 -9.461 8.435 1.00 0.00 N ATOM 0 H ARG A 35 -2.531 -8.263 1.470 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.254 -8.205 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.902 -5.845 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.129 -6.321 2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.110 -5.809 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.428 -7.460 4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.297 -8.136 5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.308 -6.514 6.607 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.013 -7.446 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.605 -6.805 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.799 -8.207 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.907 -9.898 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.091 -9.943 9.310 1.00 0.00 H new ATOM 654 N LYS A 36 -4.531 -9.156 2.236 1.00 0.00 N ATOM 655 CA LYS A 36 -5.516 -10.242 1.968 1.00 0.00 C ATOM 656 C LYS A 36 -6.065 -10.100 0.546 1.00 0.00 C ATOM 657 O LYS A 36 -7.217 -10.386 0.283 1.00 0.00 O ATOM 658 CB LYS A 36 -6.629 -10.032 2.994 1.00 0.00 C ATOM 659 CG LYS A 36 -6.745 -11.269 3.886 1.00 0.00 C ATOM 660 CD LYS A 36 -8.151 -11.334 4.488 1.00 0.00 C ATOM 661 CE LYS A 36 -8.616 -12.791 4.541 1.00 0.00 C ATOM 662 NZ LYS A 36 -10.102 -12.719 4.617 1.00 0.00 N ATOM 0 H LYS A 36 -4.416 -8.486 1.476 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.075 -11.235 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.416 -9.152 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.576 -9.848 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.544 -12.169 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.999 -11.229 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.149 -10.905 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.843 -10.742 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.292 -13.341 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.201 -13.306 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.503 -13.670 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.385 -12.349 5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.458 -12.088 3.871 1.00 0.00 H new ATOM 676 N GLY A 37 -5.251 -9.652 -0.372 1.00 0.00 N ATOM 677 CA GLY A 37 -5.728 -9.481 -1.770 1.00 0.00 C ATOM 678 C GLY A 37 -4.649 -9.941 -2.758 1.00 0.00 C ATOM 679 O GLY A 37 -4.535 -9.419 -3.850 1.00 0.00 O ATOM 0 H GLY A 37 -4.276 -9.398 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.641 -10.056 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.976 -8.435 -1.952 1.00 0.00 H new ATOM 683 N GLN A 38 -3.860 -10.916 -2.390 1.00 0.00 N ATOM 684 CA GLN A 38 -2.796 -11.404 -3.319 1.00 0.00 C ATOM 685 C GLN A 38 -1.936 -10.234 -3.799 1.00 0.00 C ATOM 686 O GLN A 38 -2.182 -9.669 -4.844 1.00 0.00 O ATOM 687 CB GLN A 38 -3.552 -12.028 -4.493 1.00 0.00 C ATOM 688 CG GLN A 38 -2.552 -12.533 -5.537 1.00 0.00 C ATOM 689 CD GLN A 38 -2.492 -11.556 -6.716 1.00 0.00 C ATOM 690 OE1 GLN A 38 -3.262 -10.618 -6.788 1.00 0.00 O ATOM 691 NE2 GLN A 38 -1.600 -11.739 -7.651 1.00 0.00 N ATOM 0 H GLN A 38 -3.905 -11.394 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.125 -12.117 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.174 -12.852 -4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.220 -11.292 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.564 -12.636 -5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.847 -13.522 -5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.953 -12.526 -7.592 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.550 -11.095 -8.441 1.00 0.00 H new ATOM 700 N VAL A 39 -0.933 -9.870 -3.031 1.00 0.00 N ATOM 701 CA VAL A 39 -0.031 -8.726 -3.400 1.00 0.00 C ATOM 702 C VAL A 39 -0.823 -7.577 -4.049 1.00 0.00 C ATOM 703 O VAL A 39 -1.109 -7.572 -5.228 1.00 0.00 O ATOM 704 CB VAL A 39 1.036 -9.308 -4.340 1.00 0.00 C ATOM 705 CG1 VAL A 39 1.881 -10.317 -3.561 1.00 0.00 C ATOM 706 CG2 VAL A 39 0.390 -10.022 -5.535 1.00 0.00 C ATOM 0 H VAL A 39 -0.697 -10.325 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 39 0.439 -8.287 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 39 1.652 -8.491 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.643 -10.738 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.362 -9.817 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.241 -11.117 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.169 -10.424 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.239 -10.836 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.219 -9.314 -6.096 1.00 0.00 H new ATOM 716 N LEU A 40 -1.174 -6.605 -3.255 1.00 0.00 N ATOM 717 CA LEU A 40 -1.957 -5.424 -3.744 1.00 0.00 C ATOM 718 C LEU A 40 -1.426 -4.954 -5.096 1.00 0.00 C ATOM 719 O LEU A 40 -2.158 -4.445 -5.919 1.00 0.00 O ATOM 720 CB LEU A 40 -1.725 -4.346 -2.682 1.00 0.00 C ATOM 721 CG LEU A 40 -2.907 -4.285 -1.710 1.00 0.00 C ATOM 722 CD1 LEU A 40 -2.929 -5.534 -0.835 1.00 0.00 C ATOM 723 CD2 LEU A 40 -2.749 -3.067 -0.805 1.00 0.00 C ATOM 0 H LEU A 40 -0.947 -6.575 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.013 -5.656 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.807 -4.559 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.592 -3.377 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.832 -4.220 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.773 -5.482 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.029 -6.418 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.001 -5.596 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.588 -3.018 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.818 -3.149 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.728 -2.162 -1.413 1.00 0.00 H new ATOM 735 N SER A 41 -0.149 -5.131 -5.303 1.00 0.00 N ATOM 736 CA SER A 41 0.519 -4.718 -6.583 1.00 0.00 C ATOM 737 C SER A 41 -0.404 -4.858 -7.799 1.00 0.00 C ATOM 738 O SER A 41 -0.440 -5.890 -8.439 1.00 0.00 O ATOM 739 CB SER A 41 1.698 -5.671 -6.721 1.00 0.00 C ATOM 740 OG SER A 41 1.228 -7.009 -6.609 1.00 0.00 O ATOM 0 H SER A 41 0.480 -5.556 -4.622 1.00 0.00 H new ATOM 0 HA SER A 41 0.807 -3.667 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.190 -5.524 -7.682 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.440 -5.467 -5.949 1.00 0.00 H new ATOM 0 HG SER A 41 0.502 -7.155 -7.251 1.00 0.00 H new ATOM 746 N THR A 42 -1.120 -3.801 -8.112 1.00 0.00 N ATOM 747 CA THR A 42 -2.057 -3.758 -9.285 1.00 0.00 C ATOM 748 C THR A 42 -2.495 -5.151 -9.746 1.00 0.00 C ATOM 749 O THR A 42 -2.424 -5.484 -10.912 1.00 0.00 O ATOM 750 CB THR A 42 -1.270 -3.055 -10.388 1.00 0.00 C ATOM 751 OG1 THR A 42 -0.262 -3.927 -10.881 1.00 0.00 O ATOM 752 CG2 THR A 42 -0.623 -1.772 -9.850 1.00 0.00 C ATOM 0 H THR A 42 -1.091 -2.931 -7.580 1.00 0.00 H new ATOM 0 HA THR A 42 -2.980 -3.241 -9.023 1.00 0.00 H new ATOM 0 HB THR A 42 -1.954 -2.791 -11.195 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.679 -4.662 -11.378 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.066 -1.283 -10.649 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.399 -1.099 -9.484 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.056 -2.021 -9.034 1.00 0.00 H new ATOM 760 N SER A 43 -2.944 -5.960 -8.837 1.00 0.00 N ATOM 761 CA SER A 43 -3.386 -7.333 -9.213 1.00 0.00 C ATOM 762 C SER A 43 -4.418 -7.267 -10.340 1.00 0.00 C ATOM 763 O SER A 43 -4.301 -7.940 -11.345 1.00 0.00 O ATOM 764 CB SER A 43 -4.006 -7.907 -7.954 1.00 0.00 C ATOM 765 OG SER A 43 -3.235 -7.521 -6.824 1.00 0.00 O ATOM 0 H SER A 43 -3.026 -5.734 -7.846 1.00 0.00 H new ATOM 0 HA SER A 43 -2.561 -7.947 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.031 -7.551 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.051 -8.994 -8.022 1.00 0.00 H new ATOM 0 HG SER A 43 -3.823 -7.416 -6.047 1.00 0.00 H new ATOM 771 N ALA A 44 -5.429 -6.456 -10.178 1.00 0.00 N ATOM 772 CA ALA A 44 -6.484 -6.327 -11.232 1.00 0.00 C ATOM 773 C ALA A 44 -7.609 -5.424 -10.728 1.00 0.00 C ATOM 774 O ALA A 44 -8.240 -4.709 -11.483 1.00 0.00 O ATOM 775 CB ALA A 44 -7.014 -7.746 -11.470 1.00 0.00 C ATOM 0 H ALA A 44 -5.573 -5.871 -9.355 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.091 -5.888 -12.149 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.792 -7.721 -12.233 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.199 -8.388 -11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.429 -8.140 -10.542 1.00 0.00 H new ATOM 781 N ARG A 45 -7.864 -5.458 -9.453 1.00 0.00 N ATOM 782 CA ARG A 45 -8.951 -4.612 -8.878 1.00 0.00 C ATOM 783 C ARG A 45 -8.343 -3.403 -8.163 1.00 0.00 C ATOM 784 O ARG A 45 -8.997 -2.402 -7.947 1.00 0.00 O ATOM 785 CB ARG A 45 -9.690 -5.508 -7.873 1.00 0.00 C ATOM 786 CG ARG A 45 -9.870 -6.916 -8.451 1.00 0.00 C ATOM 787 CD ARG A 45 -10.826 -7.721 -7.569 1.00 0.00 C ATOM 788 NE ARG A 45 -10.104 -8.992 -7.282 1.00 0.00 N ATOM 789 CZ ARG A 45 -10.577 -9.824 -6.395 1.00 0.00 C ATOM 790 NH1 ARG A 45 -10.415 -9.583 -5.123 1.00 0.00 N ATOM 791 NH2 ARG A 45 -11.215 -10.895 -6.777 1.00 0.00 N ATOM 0 H ARG A 45 -7.365 -6.037 -8.778 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.625 -4.235 -9.648 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.129 -5.559 -6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.663 -5.077 -7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.262 -6.855 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.905 -7.420 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.062 -7.185 -6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.770 -7.910 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.241 -9.212 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.919 -8.744 -4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.785 -10.233 -4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.345 -11.084 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.584 -11.544 -6.082 1.00 0.00 H new ATOM 805 N HIS A 46 -7.092 -3.489 -7.801 1.00 0.00 N ATOM 806 CA HIS A 46 -6.433 -2.348 -7.103 1.00 0.00 C ATOM 807 C HIS A 46 -5.312 -1.788 -7.980 1.00 0.00 C ATOM 808 O HIS A 46 -4.939 -2.379 -8.973 1.00 0.00 O ATOM 809 CB HIS A 46 -5.855 -2.881 -5.768 1.00 0.00 C ATOM 810 CG HIS A 46 -5.881 -4.392 -5.662 1.00 0.00 C ATOM 811 ND1 HIS A 46 -6.606 -5.043 -4.678 1.00 0.00 N ATOM 812 CD2 HIS A 46 -5.263 -5.380 -6.382 1.00 0.00 C ATOM 813 CE1 HIS A 46 -6.406 -6.364 -4.830 1.00 0.00 C ATOM 814 NE2 HIS A 46 -5.593 -6.625 -5.855 1.00 0.00 N ATOM 0 H HIS A 46 -6.496 -4.302 -7.959 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.148 -1.548 -6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.827 -2.534 -5.662 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.422 -2.456 -4.940 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.187 -4.600 -3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.616 -5.217 -7.232 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.849 -7.121 -4.200 1.00 0.00 H new ATOM 822 N GLN A 47 -4.776 -0.648 -7.630 1.00 0.00 N ATOM 823 CA GLN A 47 -3.685 -0.058 -8.455 1.00 0.00 C ATOM 824 C GLN A 47 -2.661 0.639 -7.554 1.00 0.00 C ATOM 825 O GLN A 47 -2.888 1.730 -7.071 1.00 0.00 O ATOM 826 CB GLN A 47 -4.390 0.955 -9.366 1.00 0.00 C ATOM 827 CG GLN A 47 -3.354 1.818 -10.097 1.00 0.00 C ATOM 828 CD GLN A 47 -2.423 0.923 -10.917 1.00 0.00 C ATOM 829 OE1 GLN A 47 -1.131 1.098 -10.835 1.00 0.00 O flip ATOM 830 NE2 GLN A 47 -2.874 0.056 -11.638 1.00 0.00 N flip ATOM 0 H GLN A 47 -5.046 -0.103 -6.811 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.139 -0.808 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.014 0.432 -10.090 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.051 1.589 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.857 2.531 -10.750 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.776 2.397 -9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.883 -0.080 -11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.244 -0.536 -12.180 1.00 0.00 H new ATOM 839 N VAL A 48 -1.533 0.025 -7.325 1.00 0.00 N ATOM 840 CA VAL A 48 -0.508 0.671 -6.462 1.00 0.00 C ATOM 841 C VAL A 48 0.614 1.253 -7.333 1.00 0.00 C ATOM 842 O VAL A 48 0.569 1.202 -8.546 1.00 0.00 O ATOM 843 CB VAL A 48 -0.012 -0.448 -5.510 1.00 0.00 C ATOM 844 CG1 VAL A 48 1.437 -0.872 -5.813 1.00 0.00 C ATOM 845 CG2 VAL A 48 -0.076 0.068 -4.077 1.00 0.00 C ATOM 0 H VAL A 48 -1.279 -0.890 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.899 1.510 -5.886 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.654 -1.317 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.739 -1.658 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.501 -1.245 -6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.099 -0.014 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.270 -0.709 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.560 0.948 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.104 0.334 -3.832 1.00 0.00 H new ATOM 855 N THR A 49 1.617 1.798 -6.712 1.00 0.00 N ATOM 856 CA THR A 49 2.751 2.381 -7.480 1.00 0.00 C ATOM 857 C THR A 49 3.877 2.746 -6.516 1.00 0.00 C ATOM 858 O THR A 49 3.727 2.647 -5.318 1.00 0.00 O ATOM 859 CB THR A 49 2.183 3.633 -8.152 1.00 0.00 C ATOM 860 OG1 THR A 49 3.238 4.349 -8.781 1.00 0.00 O ATOM 861 CG2 THR A 49 1.514 4.521 -7.102 1.00 0.00 C ATOM 0 H THR A 49 1.703 1.866 -5.698 1.00 0.00 H new ATOM 0 HA THR A 49 3.162 1.690 -8.216 1.00 0.00 H new ATOM 0 HB THR A 49 1.444 3.342 -8.899 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.877 5.151 -9.214 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.110 5.412 -7.583 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.706 3.970 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.249 4.815 -6.352 1.00 0.00 H new ATOM 869 N THR A 50 5.002 3.164 -7.019 1.00 0.00 N ATOM 870 CA THR A 50 6.124 3.528 -6.108 1.00 0.00 C ATOM 871 C THR A 50 7.115 4.447 -6.829 1.00 0.00 C ATOM 872 O THR A 50 7.201 4.447 -8.040 1.00 0.00 O ATOM 873 CB THR A 50 6.792 2.200 -5.753 1.00 0.00 C ATOM 874 OG1 THR A 50 5.796 1.232 -5.457 1.00 0.00 O ATOM 875 CG2 THR A 50 7.690 2.397 -4.535 1.00 0.00 C ATOM 0 H THR A 50 5.195 3.270 -8.015 1.00 0.00 H new ATOM 0 HA THR A 50 5.779 4.063 -5.223 1.00 0.00 H new ATOM 0 HB THR A 50 7.391 1.856 -6.596 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.266 1.532 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.168 1.452 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.454 3.140 -4.763 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.090 2.740 -3.692 1.00 0.00 H new ATOM 883 N THR A 51 7.871 5.224 -6.099 1.00 0.00 N ATOM 884 CA THR A 51 8.856 6.128 -6.758 1.00 0.00 C ATOM 885 C THR A 51 10.274 5.752 -6.327 1.00 0.00 C ATOM 886 O THR A 51 10.962 5.007 -6.996 1.00 0.00 O ATOM 887 CB THR A 51 8.481 7.537 -6.286 1.00 0.00 C ATOM 888 OG1 THR A 51 7.216 7.891 -6.827 1.00 0.00 O ATOM 889 CG2 THR A 51 9.537 8.539 -6.758 1.00 0.00 C ATOM 0 H THR A 51 7.849 5.271 -5.080 1.00 0.00 H new ATOM 0 HA THR A 51 8.833 6.057 -7.845 1.00 0.00 H new ATOM 0 HB THR A 51 8.433 7.554 -5.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.275 8.775 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.266 9.539 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.508 8.267 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.590 8.526 -7.847 1.00 0.00 H new ATOM 897 N LYS A 52 10.711 6.251 -5.211 1.00 0.00 N ATOM 898 CA LYS A 52 12.079 5.916 -4.724 1.00 0.00 C ATOM 899 C LYS A 52 12.034 5.664 -3.216 1.00 0.00 C ATOM 900 O LYS A 52 12.214 4.554 -2.754 1.00 0.00 O ATOM 901 CB LYS A 52 12.933 7.146 -5.040 1.00 0.00 C ATOM 902 CG LYS A 52 13.155 7.242 -6.552 1.00 0.00 C ATOM 903 CD LYS A 52 14.593 6.839 -6.887 1.00 0.00 C ATOM 904 CE LYS A 52 14.796 5.353 -6.577 1.00 0.00 C ATOM 905 NZ LYS A 52 14.081 4.631 -7.667 1.00 0.00 N ATOM 0 H LYS A 52 10.180 6.880 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 52 12.483 5.019 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.439 8.047 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.891 7.078 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.453 6.592 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.963 8.259 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.800 7.033 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.294 7.441 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.855 5.094 -6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.389 5.095 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.463 3.668 -7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.066 4.582 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.214 5.138 -8.565 1.00 0.00 H new ATOM 919 N TYR A 53 11.782 6.686 -2.448 1.00 0.00 N ATOM 920 CA TYR A 53 11.708 6.515 -0.969 1.00 0.00 C ATOM 921 C TYR A 53 10.296 6.826 -0.498 1.00 0.00 C ATOM 922 O TYR A 53 10.081 7.293 0.601 1.00 0.00 O ATOM 923 CB TYR A 53 12.672 7.534 -0.390 1.00 0.00 C ATOM 924 CG TYR A 53 14.014 7.419 -1.073 1.00 0.00 C ATOM 925 CD1 TYR A 53 14.237 8.088 -2.281 1.00 0.00 C ATOM 926 CD2 TYR A 53 15.027 6.642 -0.503 1.00 0.00 C ATOM 927 CE1 TYR A 53 15.476 7.983 -2.921 1.00 0.00 C ATOM 928 CE2 TYR A 53 16.268 6.536 -1.142 1.00 0.00 C ATOM 929 CZ TYR A 53 16.493 7.208 -2.352 1.00 0.00 C ATOM 930 OH TYR A 53 17.717 7.105 -2.983 1.00 0.00 O ATOM 0 H TYR A 53 11.623 7.637 -2.781 1.00 0.00 H new ATOM 0 HA TYR A 53 11.958 5.500 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.273 8.540 -0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.785 7.372 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.452 8.686 -2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.852 6.124 0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.648 8.500 -3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.052 5.937 -0.703 1.00 0.00 H new ATOM 0 HH TYR A 53 18.167 6.285 -2.691 1.00 0.00 H new ATOM 940 N LYS A 54 9.342 6.592 -1.339 1.00 0.00 N ATOM 941 CA LYS A 54 7.929 6.884 -0.975 1.00 0.00 C ATOM 942 C LYS A 54 6.991 6.169 -1.947 1.00 0.00 C ATOM 943 O LYS A 54 6.991 6.432 -3.132 1.00 0.00 O ATOM 944 CB LYS A 54 7.778 8.410 -1.091 1.00 0.00 C ATOM 945 CG LYS A 54 8.474 8.923 -2.361 1.00 0.00 C ATOM 946 CD LYS A 54 7.655 10.061 -2.975 1.00 0.00 C ATOM 947 CE LYS A 54 6.257 9.552 -3.339 1.00 0.00 C ATOM 948 NZ LYS A 54 6.022 10.018 -4.735 1.00 0.00 N ATOM 0 H LYS A 54 9.476 6.207 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 54 7.680 6.539 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.721 8.676 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.208 8.892 -0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.478 9.273 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.583 8.111 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.579 10.889 -2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.156 10.444 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.204 8.465 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.504 9.950 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.999 10.080 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.453 10.955 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.449 9.344 -5.402 1.00 0.00 H new ATOM 962 N SER A 55 6.196 5.262 -1.459 1.00 0.00 N ATOM 963 CA SER A 55 5.267 4.534 -2.361 1.00 0.00 C ATOM 964 C SER A 55 3.873 5.152 -2.289 1.00 0.00 C ATOM 965 O SER A 55 3.621 6.054 -1.518 1.00 0.00 O ATOM 966 CB SER A 55 5.235 3.095 -1.845 1.00 0.00 C ATOM 967 OG SER A 55 4.820 2.244 -2.897 1.00 0.00 O ATOM 0 H SER A 55 6.149 4.994 -0.476 1.00 0.00 H new ATOM 0 HA SER A 55 5.591 4.582 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.221 2.800 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.552 3.012 -1.000 1.00 0.00 H new ATOM 0 HG SER A 55 4.567 2.784 -3.674 1.00 0.00 H new ATOM 973 N THR A 56 2.966 4.670 -3.089 1.00 0.00 N ATOM 974 CA THR A 56 1.591 5.225 -3.070 1.00 0.00 C ATOM 975 C THR A 56 0.593 4.162 -3.521 1.00 0.00 C ATOM 976 O THR A 56 0.891 3.323 -4.349 1.00 0.00 O ATOM 977 CB THR A 56 1.631 6.399 -4.046 1.00 0.00 C ATOM 978 OG1 THR A 56 2.457 6.064 -5.151 1.00 0.00 O ATOM 979 CG2 THR A 56 2.205 7.623 -3.336 1.00 0.00 C ATOM 0 H THR A 56 3.120 3.914 -3.756 1.00 0.00 H new ATOM 0 HA THR A 56 1.277 5.542 -2.076 1.00 0.00 H new ATOM 0 HB THR A 56 0.623 6.619 -4.398 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.483 6.815 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.236 8.464 -4.029 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.575 7.878 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.214 7.402 -2.988 1.00 0.00 H new ATOM 987 N PHE A 57 -0.586 4.184 -2.969 1.00 0.00 N ATOM 988 CA PHE A 57 -1.601 3.167 -3.350 1.00 0.00 C ATOM 989 C PHE A 57 -2.966 3.828 -3.541 1.00 0.00 C ATOM 990 O PHE A 57 -3.449 4.530 -2.681 1.00 0.00 O ATOM 991 CB PHE A 57 -1.630 2.193 -2.165 1.00 0.00 C ATOM 992 CG PHE A 57 -2.779 1.211 -2.297 1.00 0.00 C ATOM 993 CD1 PHE A 57 -3.219 0.796 -3.562 1.00 0.00 C ATOM 994 CD2 PHE A 57 -3.394 0.704 -1.145 1.00 0.00 C ATOM 995 CE1 PHE A 57 -4.271 -0.120 -3.674 1.00 0.00 C ATOM 996 CE2 PHE A 57 -4.444 -0.214 -1.258 1.00 0.00 C ATOM 997 CZ PHE A 57 -4.882 -0.627 -2.522 1.00 0.00 C ATOM 0 H PHE A 57 -0.890 4.862 -2.271 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.363 2.667 -4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.687 1.650 -2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.728 2.751 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.745 1.184 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.058 1.022 -0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.611 -0.435 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.917 -0.604 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.691 -1.337 -2.608 1.00 0.00 H new ATOM 1007 N GLU A 58 -3.598 3.596 -4.655 1.00 0.00 N ATOM 1008 CA GLU A 58 -4.937 4.204 -4.883 1.00 0.00 C ATOM 1009 C GLU A 58 -5.917 3.112 -5.321 1.00 0.00 C ATOM 1010 O GLU A 58 -5.562 2.213 -6.058 1.00 0.00 O ATOM 1011 CB GLU A 58 -4.729 5.241 -5.994 1.00 0.00 C ATOM 1012 CG GLU A 58 -4.398 4.540 -7.315 1.00 0.00 C ATOM 1013 CD GLU A 58 -5.611 4.610 -8.247 1.00 0.00 C ATOM 1014 OE1 GLU A 58 -6.712 4.770 -7.744 1.00 0.00 O ATOM 1015 OE2 GLU A 58 -5.418 4.503 -9.447 1.00 0.00 O ATOM 0 H GLU A 58 -3.247 3.014 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.350 4.669 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.628 5.846 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.921 5.920 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.537 5.015 -7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.128 3.500 -7.130 1.00 0.00 H new ATOM 1022 N ILE A 59 -7.140 3.169 -4.875 1.00 0.00 N ATOM 1023 CA ILE A 59 -8.112 2.112 -5.282 1.00 0.00 C ATOM 1024 C ILE A 59 -9.290 2.720 -6.035 1.00 0.00 C ATOM 1025 O ILE A 59 -9.870 3.709 -5.629 1.00 0.00 O ATOM 1026 CB ILE A 59 -8.595 1.455 -3.992 1.00 0.00 C ATOM 1027 CG1 ILE A 59 -7.393 1.102 -3.106 1.00 0.00 C ATOM 1028 CG2 ILE A 59 -9.369 0.180 -4.338 1.00 0.00 C ATOM 1029 CD1 ILE A 59 -7.866 0.349 -1.859 1.00 0.00 C ATOM 0 H ILE A 59 -7.507 3.890 -4.255 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.644 1.389 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.244 2.145 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.686 0.489 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.866 2.011 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.717 -0.295 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.225 0.433 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.716 -0.507 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.007 0.102 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.556 0.977 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.373 -0.568 -2.158 1.00 0.00 H new ATOM 1041 N SER A 60 -9.640 2.119 -7.129 1.00 0.00 N ATOM 1042 CA SER A 60 -10.783 2.624 -7.947 1.00 0.00 C ATOM 1043 C SER A 60 -11.264 1.548 -8.932 1.00 0.00 C ATOM 1044 O SER A 60 -11.964 1.834 -9.882 1.00 0.00 O ATOM 1045 CB SER A 60 -10.216 3.817 -8.707 1.00 0.00 C ATOM 1046 OG SER A 60 -10.343 4.987 -7.909 1.00 0.00 O ATOM 0 H SER A 60 -9.181 1.288 -7.502 1.00 0.00 H new ATOM 0 HA SER A 60 -11.641 2.890 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.168 3.642 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.746 3.947 -9.650 1.00 0.00 H new ATOM 0 HG SER A 60 -10.314 4.741 -6.961 1.00 0.00 H new ATOM 1052 N SER A 61 -10.887 0.316 -8.718 1.00 0.00 N ATOM 1053 CA SER A 61 -11.311 -0.777 -9.641 1.00 0.00 C ATOM 1054 C SER A 61 -11.866 -1.972 -8.855 1.00 0.00 C ATOM 1055 O SER A 61 -12.282 -2.956 -9.432 1.00 0.00 O ATOM 1056 CB SER A 61 -10.032 -1.175 -10.360 1.00 0.00 C ATOM 1057 OG SER A 61 -10.137 -2.519 -10.814 1.00 0.00 O ATOM 0 H SER A 61 -10.300 0.018 -7.939 1.00 0.00 H new ATOM 0 HA SER A 61 -12.101 -0.458 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.855 -0.508 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.179 -1.073 -9.689 1.00 0.00 H new ATOM 0 HG SER A 61 -9.485 -2.675 -11.529 1.00 0.00 H new ATOM 1063 N VAL A 62 -11.858 -1.898 -7.545 1.00 0.00 N ATOM 1064 CA VAL A 62 -12.366 -3.030 -6.705 1.00 0.00 C ATOM 1065 C VAL A 62 -13.634 -3.654 -7.301 1.00 0.00 C ATOM 1066 O VAL A 62 -14.460 -2.979 -7.884 1.00 0.00 O ATOM 1067 CB VAL A 62 -12.671 -2.402 -5.346 1.00 0.00 C ATOM 1068 CG1 VAL A 62 -13.763 -1.343 -5.499 1.00 0.00 C ATOM 1069 CG2 VAL A 62 -13.151 -3.488 -4.384 1.00 0.00 C ATOM 0 H VAL A 62 -11.518 -1.094 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.636 -3.837 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.768 -1.934 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.977 -0.898 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.424 -0.568 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.667 -1.807 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -13.370 -3.043 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -14.053 -3.953 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -12.373 -4.243 -4.270 1.00 0.00 H new ATOM 1079 N GLN A 63 -13.783 -4.943 -7.165 1.00 0.00 N ATOM 1080 CA GLN A 63 -14.984 -5.623 -7.725 1.00 0.00 C ATOM 1081 C GLN A 63 -15.897 -6.098 -6.591 1.00 0.00 C ATOM 1082 O GLN A 63 -16.932 -5.517 -6.330 1.00 0.00 O ATOM 1083 CB GLN A 63 -14.427 -6.815 -8.502 1.00 0.00 C ATOM 1084 CG GLN A 63 -14.181 -6.413 -9.959 1.00 0.00 C ATOM 1085 CD GLN A 63 -12.975 -5.476 -10.043 1.00 0.00 C ATOM 1086 OE1 GLN A 63 -12.218 -5.359 -9.104 1.00 0.00 O ATOM 1087 NE2 GLN A 63 -12.763 -4.799 -11.139 1.00 0.00 N ATOM 0 H GLN A 63 -13.122 -5.556 -6.688 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.581 -4.965 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.497 -7.155 -8.047 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.127 -7.649 -8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.006 -7.301 -10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.065 -5.920 -10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.400 -4.897 -11.930 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.961 -4.172 -11.204 1.00 0.00 H new ATOM 1096 N ALA A 64 -15.522 -7.149 -5.913 1.00 0.00 N ATOM 1097 CA ALA A 64 -16.371 -7.657 -4.796 1.00 0.00 C ATOM 1098 C ALA A 64 -15.585 -8.648 -3.932 1.00 0.00 C ATOM 1099 O ALA A 64 -16.149 -9.526 -3.311 1.00 0.00 O ATOM 1100 CB ALA A 64 -17.547 -8.356 -5.478 1.00 0.00 C ATOM 0 H ALA A 64 -14.666 -7.677 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.699 -6.856 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.220 -8.758 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.086 -7.640 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.175 -9.169 -6.102 1.00 0.00 H new ATOM 1106 N SER A 65 -14.287 -8.517 -3.886 1.00 0.00 N ATOM 1107 CA SER A 65 -13.475 -9.456 -3.058 1.00 0.00 C ATOM 1108 C SER A 65 -12.201 -8.766 -2.555 1.00 0.00 C ATOM 1109 O SER A 65 -11.262 -9.411 -2.130 1.00 0.00 O ATOM 1110 CB SER A 65 -13.129 -10.611 -3.996 1.00 0.00 C ATOM 1111 OG SER A 65 -12.226 -11.494 -3.342 1.00 0.00 O ATOM 0 H SER A 65 -13.755 -7.803 -4.384 1.00 0.00 H new ATOM 0 HA SER A 65 -14.014 -9.796 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.035 -11.145 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.681 -10.228 -4.913 1.00 0.00 H new ATOM 0 HG SER A 65 -11.757 -11.013 -2.628 1.00 0.00 H new ATOM 1117 N ASP A 66 -12.160 -7.462 -2.591 1.00 0.00 N ATOM 1118 CA ASP A 66 -10.949 -6.744 -2.108 1.00 0.00 C ATOM 1119 C ASP A 66 -11.058 -6.471 -0.604 1.00 0.00 C ATOM 1120 O ASP A 66 -10.089 -6.130 0.046 1.00 0.00 O ATOM 1121 CB ASP A 66 -10.938 -5.440 -2.891 1.00 0.00 C ATOM 1122 CG ASP A 66 -9.942 -5.538 -4.047 1.00 0.00 C ATOM 1123 OD1 ASP A 66 -9.625 -6.649 -4.437 1.00 0.00 O ATOM 1124 OD2 ASP A 66 -9.512 -4.500 -4.523 1.00 0.00 O ATOM 0 H ASP A 66 -12.912 -6.864 -2.934 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.035 -7.320 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.936 -5.228 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.667 -4.613 -2.234 1.00 0.00 H new ATOM 1129 N GLU A 67 -12.231 -6.619 -0.044 1.00 0.00 N ATOM 1130 CA GLU A 67 -12.401 -6.370 1.414 1.00 0.00 C ATOM 1131 C GLU A 67 -11.849 -5.004 1.797 1.00 0.00 C ATOM 1132 O GLU A 67 -11.569 -4.172 0.957 1.00 0.00 O ATOM 1133 CB GLU A 67 -11.595 -7.463 2.103 1.00 0.00 C ATOM 1134 CG GLU A 67 -12.535 -8.579 2.554 1.00 0.00 C ATOM 1135 CD GLU A 67 -12.124 -9.894 1.887 1.00 0.00 C ATOM 1136 OE1 GLU A 67 -12.465 -10.082 0.730 1.00 0.00 O ATOM 1137 OE2 GLU A 67 -11.476 -10.690 2.545 1.00 0.00 O ATOM 0 H GLU A 67 -13.078 -6.902 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.452 -6.383 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.843 -7.860 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.063 -7.052 2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.500 -8.683 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.563 -8.331 2.291 1.00 0.00 H new ATOM 1144 N GLY A 68 -11.700 -4.769 3.066 1.00 0.00 N ATOM 1145 CA GLY A 68 -11.179 -3.455 3.515 1.00 0.00 C ATOM 1146 C GLY A 68 -9.725 -3.565 3.970 1.00 0.00 C ATOM 1147 O GLY A 68 -8.813 -3.255 3.231 1.00 0.00 O ATOM 0 H GLY A 68 -11.917 -5.430 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.255 -2.733 2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.792 -3.078 4.334 1.00 0.00 H new ATOM 1151 N ASN A 69 -9.523 -3.974 5.194 1.00 0.00 N ATOM 1152 CA ASN A 69 -8.146 -4.092 5.780 1.00 0.00 C ATOM 1153 C ASN A 69 -7.060 -4.413 4.743 1.00 0.00 C ATOM 1154 O ASN A 69 -7.002 -5.488 4.179 1.00 0.00 O ATOM 1155 CB ASN A 69 -8.259 -5.220 6.782 1.00 0.00 C ATOM 1156 CG ASN A 69 -8.810 -4.683 8.104 1.00 0.00 C ATOM 1157 OD1 ASN A 69 -9.522 -3.699 8.124 1.00 0.00 O ATOM 1158 ND2 ASN A 69 -8.509 -5.293 9.218 1.00 0.00 N ATOM 0 H ASN A 69 -10.273 -4.239 5.833 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.837 -3.142 6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.914 -6.000 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.282 -5.676 6.943 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.872 -4.943 10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.911 -6.119 9.202 1.00 0.00 H new ATOM 1165 N TYR A 70 -6.193 -3.468 4.527 1.00 0.00 N ATOM 1166 CA TYR A 70 -5.057 -3.634 3.572 1.00 0.00 C ATOM 1167 C TYR A 70 -3.786 -3.081 4.232 1.00 0.00 C ATOM 1168 O TYR A 70 -3.871 -2.238 5.101 1.00 0.00 O ATOM 1169 CB TYR A 70 -5.430 -2.787 2.356 1.00 0.00 C ATOM 1170 CG TYR A 70 -6.155 -3.640 1.347 1.00 0.00 C ATOM 1171 CD1 TYR A 70 -5.626 -4.878 0.969 1.00 0.00 C ATOM 1172 CD2 TYR A 70 -7.355 -3.191 0.789 1.00 0.00 C ATOM 1173 CE1 TYR A 70 -6.300 -5.670 0.032 1.00 0.00 C ATOM 1174 CE2 TYR A 70 -8.030 -3.981 -0.148 1.00 0.00 C ATOM 1175 CZ TYR A 70 -7.501 -5.221 -0.526 1.00 0.00 C ATOM 1176 OH TYR A 70 -8.164 -6.001 -1.448 1.00 0.00 O ATOM 0 H TYR A 70 -6.223 -2.557 4.986 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.878 -4.673 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.061 -1.952 2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.532 -2.361 1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.698 -5.223 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.761 -2.234 1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.893 -6.627 -0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.958 -3.635 -0.579 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.752 -6.631 -0.981 1.00 0.00 H new ATOM 1186 N SER A 71 -2.611 -3.532 3.858 1.00 0.00 N ATOM 1187 CA SER A 71 -1.388 -2.977 4.526 1.00 0.00 C ATOM 1188 C SER A 71 -0.205 -2.858 3.557 1.00 0.00 C ATOM 1189 O SER A 71 -0.354 -2.973 2.359 1.00 0.00 O ATOM 1190 CB SER A 71 -1.045 -3.942 5.660 1.00 0.00 C ATOM 1191 OG SER A 71 -2.070 -4.919 5.803 1.00 0.00 O ATOM 0 H SER A 71 -2.446 -4.239 3.141 1.00 0.00 H new ATOM 0 HA SER A 71 -1.585 -1.969 4.891 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.093 -4.431 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.926 -3.391 6.593 1.00 0.00 H new ATOM 0 HG SER A 71 -1.676 -5.815 5.759 1.00 0.00 H new ATOM 1197 N VAL A 72 0.972 -2.610 4.083 1.00 0.00 N ATOM 1198 CA VAL A 72 2.185 -2.464 3.205 1.00 0.00 C ATOM 1199 C VAL A 72 3.469 -2.823 3.967 1.00 0.00 C ATOM 1200 O VAL A 72 3.910 -2.100 4.832 1.00 0.00 O ATOM 1201 CB VAL A 72 2.212 -0.984 2.803 1.00 0.00 C ATOM 1202 CG1 VAL A 72 2.186 -0.116 4.055 1.00 0.00 C ATOM 1203 CG2 VAL A 72 3.492 -0.668 2.014 1.00 0.00 C ATOM 0 H VAL A 72 1.148 -2.502 5.082 1.00 0.00 H new ATOM 0 HA VAL A 72 2.135 -3.131 2.345 1.00 0.00 H new ATOM 0 HB VAL A 72 1.341 -0.777 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.205 0.936 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.278 -0.322 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.057 -0.340 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.497 0.386 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.363 -0.884 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.525 -1.281 1.114 1.00 0.00 H new ATOM 1213 N VAL A 73 4.086 -3.920 3.631 1.00 0.00 N ATOM 1214 CA VAL A 73 5.351 -4.303 4.324 1.00 0.00 C ATOM 1215 C VAL A 73 6.548 -3.661 3.618 1.00 0.00 C ATOM 1216 O VAL A 73 7.205 -4.269 2.798 1.00 0.00 O ATOM 1217 CB VAL A 73 5.428 -5.832 4.250 1.00 0.00 C ATOM 1218 CG1 VAL A 73 4.192 -6.439 4.914 1.00 0.00 C ATOM 1219 CG2 VAL A 73 5.499 -6.295 2.797 1.00 0.00 C ATOM 0 H VAL A 73 3.772 -4.568 2.909 1.00 0.00 H new ATOM 0 HA VAL A 73 5.367 -3.961 5.359 1.00 0.00 H new ATOM 0 HB VAL A 73 6.328 -6.161 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.247 -7.526 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.150 -6.128 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.296 -6.096 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.553 -7.383 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.609 -5.960 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.386 -5.873 2.324 1.00 0.00 H new ATOM 1229 N VAL A 74 6.833 -2.429 3.932 1.00 0.00 N ATOM 1230 CA VAL A 74 7.983 -1.742 3.284 1.00 0.00 C ATOM 1231 C VAL A 74 9.289 -2.143 3.981 1.00 0.00 C ATOM 1232 O VAL A 74 9.444 -1.983 5.173 1.00 0.00 O ATOM 1233 CB VAL A 74 7.681 -0.248 3.457 1.00 0.00 C ATOM 1234 CG1 VAL A 74 8.952 0.592 3.260 1.00 0.00 C ATOM 1235 CG2 VAL A 74 6.641 0.172 2.422 1.00 0.00 C ATOM 0 H VAL A 74 6.318 -1.868 4.610 1.00 0.00 H new ATOM 0 HA VAL A 74 8.107 -2.005 2.233 1.00 0.00 H new ATOM 0 HB VAL A 74 7.305 -0.081 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.714 1.648 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.700 0.298 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.345 0.427 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.420 1.233 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.030 -0.010 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.729 -0.406 2.568 1.00 0.00 H new ATOM 1245 N GLU A 75 10.231 -2.652 3.238 1.00 0.00 N ATOM 1246 CA GLU A 75 11.530 -3.055 3.846 1.00 0.00 C ATOM 1247 C GLU A 75 12.663 -2.749 2.867 1.00 0.00 C ATOM 1248 O GLU A 75 12.493 -1.983 1.941 1.00 0.00 O ATOM 1249 CB GLU A 75 11.408 -4.560 4.090 1.00 0.00 C ATOM 1250 CG GLU A 75 11.051 -5.267 2.784 1.00 0.00 C ATOM 1251 CD GLU A 75 9.551 -5.563 2.756 1.00 0.00 C ATOM 1252 OE1 GLU A 75 9.004 -5.850 3.809 1.00 0.00 O ATOM 1253 OE2 GLU A 75 8.974 -5.499 1.683 1.00 0.00 O ATOM 0 H GLU A 75 10.157 -2.807 2.233 1.00 0.00 H new ATOM 0 HA GLU A 75 11.749 -2.521 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.347 -4.952 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.643 -4.755 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.325 -4.642 1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.617 -6.194 2.694 1.00 0.00 H new ATOM 1260 N ASN A 76 13.818 -3.329 3.053 1.00 0.00 N ATOM 1261 CA ASN A 76 14.936 -3.040 2.110 1.00 0.00 C ATOM 1262 C ASN A 76 16.107 -3.994 2.348 1.00 0.00 C ATOM 1263 O ASN A 76 16.005 -4.959 3.079 1.00 0.00 O ATOM 1264 CB ASN A 76 15.280 -1.551 2.376 1.00 0.00 C ATOM 1265 CG ASN A 76 16.747 -1.301 2.762 1.00 0.00 C ATOM 1266 OD1 ASN A 76 17.150 -1.583 3.867 1.00 0.00 O ATOM 1267 ND2 ASN A 76 17.559 -0.781 1.885 1.00 0.00 N ATOM 0 H ASN A 76 14.034 -3.982 3.806 1.00 0.00 H new ATOM 0 HA ASN A 76 14.677 -3.195 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.047 -0.971 1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.638 -1.179 3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.534 -0.612 2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.219 -0.543 0.953 1.00 0.00 H new ATOM 1274 N SER A 77 17.203 -3.709 1.709 1.00 0.00 N ATOM 1275 CA SER A 77 18.440 -4.552 1.828 1.00 0.00 C ATOM 1276 C SER A 77 18.619 -5.135 3.235 1.00 0.00 C ATOM 1277 O SER A 77 19.169 -6.203 3.407 1.00 0.00 O ATOM 1278 CB SER A 77 19.588 -3.596 1.506 1.00 0.00 C ATOM 1279 OG SER A 77 19.555 -2.502 2.416 1.00 0.00 O ATOM 0 H SER A 77 17.304 -2.905 1.089 1.00 0.00 H new ATOM 0 HA SER A 77 18.393 -5.412 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.543 -4.117 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.500 -3.235 0.481 1.00 0.00 H new ATOM 0 HG SER A 77 20.386 -2.483 2.935 1.00 0.00 H new ATOM 1285 N GLU A 78 18.170 -4.442 4.236 1.00 0.00 N ATOM 1286 CA GLU A 78 18.328 -4.966 5.630 1.00 0.00 C ATOM 1287 C GLU A 78 17.203 -4.489 6.565 1.00 0.00 C ATOM 1288 O GLU A 78 17.063 -4.986 7.665 1.00 0.00 O ATOM 1289 CB GLU A 78 19.679 -4.431 6.109 1.00 0.00 C ATOM 1290 CG GLU A 78 19.733 -2.911 5.943 1.00 0.00 C ATOM 1291 CD GLU A 78 21.081 -2.518 5.335 1.00 0.00 C ATOM 1292 OE1 GLU A 78 21.415 -3.052 4.290 1.00 0.00 O ATOM 1293 OE2 GLU A 78 21.757 -1.692 5.925 1.00 0.00 O ATOM 0 H GLU A 78 17.702 -3.539 4.159 1.00 0.00 H new ATOM 0 HA GLU A 78 18.278 -6.055 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.833 -4.696 7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.485 -4.895 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.919 -2.574 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.600 -2.423 6.909 1.00 0.00 H new ATOM 1300 N GLY A 79 16.402 -3.540 6.158 1.00 0.00 N ATOM 1301 CA GLY A 79 15.310 -3.065 7.051 1.00 0.00 C ATOM 1302 C GLY A 79 14.066 -3.925 6.828 1.00 0.00 C ATOM 1303 O GLY A 79 13.978 -4.667 5.871 1.00 0.00 O ATOM 0 H GLY A 79 16.457 -3.077 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.625 -3.124 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.085 -2.019 6.845 1.00 0.00 H new ATOM 1307 N LYS A 80 13.104 -3.831 7.703 1.00 0.00 N ATOM 1308 CA LYS A 80 11.864 -4.646 7.541 1.00 0.00 C ATOM 1309 C LYS A 80 10.705 -4.012 8.318 1.00 0.00 C ATOM 1310 O LYS A 80 10.309 -4.491 9.362 1.00 0.00 O ATOM 1311 CB LYS A 80 12.214 -6.015 8.125 1.00 0.00 C ATOM 1312 CG LYS A 80 11.561 -7.112 7.282 1.00 0.00 C ATOM 1313 CD LYS A 80 10.051 -7.118 7.531 1.00 0.00 C ATOM 1314 CE LYS A 80 9.658 -8.400 8.268 1.00 0.00 C ATOM 1315 NZ LYS A 80 8.173 -8.348 8.363 1.00 0.00 N ATOM 0 H LYS A 80 13.121 -3.226 8.524 1.00 0.00 H new ATOM 0 HA LYS A 80 11.547 -4.713 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.296 -6.149 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.869 -6.081 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.765 -6.943 6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.986 -8.083 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.766 -6.246 8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.516 -7.052 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.988 -9.285 7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.116 -8.444 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.827 -9.195 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.888 -7.499 8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.765 -8.314 7.407 1.00 0.00 H new ATOM 1329 N GLN A 81 10.158 -2.939 7.815 1.00 0.00 N ATOM 1330 CA GLN A 81 9.024 -2.272 8.520 1.00 0.00 C ATOM 1331 C GLN A 81 7.738 -2.402 7.694 1.00 0.00 C ATOM 1332 O GLN A 81 7.744 -2.933 6.602 1.00 0.00 O ATOM 1333 CB GLN A 81 9.445 -0.805 8.636 1.00 0.00 C ATOM 1334 CG GLN A 81 8.539 -0.086 9.637 1.00 0.00 C ATOM 1335 CD GLN A 81 9.234 1.180 10.138 1.00 0.00 C ATOM 1336 OE1 GLN A 81 10.438 1.204 10.301 1.00 0.00 O ATOM 1337 NE2 GLN A 81 8.519 2.241 10.391 1.00 0.00 N ATOM 0 H GLN A 81 10.448 -2.494 6.944 1.00 0.00 H new ATOM 0 HA GLN A 81 8.819 -2.717 9.494 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.484 -0.739 8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.383 -0.321 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.590 0.170 9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.311 -0.744 10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.508 2.220 10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.970 3.092 10.726 1.00 0.00 H new ATOM 1346 N GLU A 82 6.636 -1.923 8.205 1.00 0.00 N ATOM 1347 CA GLU A 82 5.356 -2.023 7.443 1.00 0.00 C ATOM 1348 C GLU A 82 4.348 -0.993 7.954 1.00 0.00 C ATOM 1349 O GLU A 82 4.623 -0.220 8.850 1.00 0.00 O ATOM 1350 CB GLU A 82 4.853 -3.446 7.694 1.00 0.00 C ATOM 1351 CG GLU A 82 4.528 -3.626 9.180 1.00 0.00 C ATOM 1352 CD GLU A 82 3.010 -3.668 9.372 1.00 0.00 C ATOM 1353 OE1 GLU A 82 2.306 -3.229 8.476 1.00 0.00 O ATOM 1354 OE2 GLU A 82 2.577 -4.138 10.411 1.00 0.00 O ATOM 0 H GLU A 82 6.566 -1.468 9.115 1.00 0.00 H new ATOM 0 HA GLU A 82 5.494 -1.823 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.965 -3.639 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.609 -4.168 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.977 -4.547 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.955 -2.807 9.758 1.00 0.00 H new ATOM 1361 N ALA A 83 3.181 -0.987 7.382 1.00 0.00 N ATOM 1362 CA ALA A 83 2.132 -0.026 7.802 1.00 0.00 C ATOM 1363 C ALA A 83 0.769 -0.686 7.629 1.00 0.00 C ATOM 1364 O ALA A 83 0.666 -1.758 7.065 1.00 0.00 O ATOM 1365 CB ALA A 83 2.282 1.159 6.846 1.00 0.00 C ATOM 0 H ALA A 83 2.906 -1.618 6.629 1.00 0.00 H new ATOM 0 HA ALA A 83 2.223 0.286 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.539 1.919 7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.281 1.583 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.132 0.821 5.821 1.00 0.00 H new ATOM 1371 N GLU A 84 -0.279 -0.073 8.097 1.00 0.00 N ATOM 1372 CA GLU A 84 -1.614 -0.705 7.934 1.00 0.00 C ATOM 1373 C GLU A 84 -2.701 0.357 7.727 1.00 0.00 C ATOM 1374 O GLU A 84 -2.553 1.505 8.094 1.00 0.00 O ATOM 1375 CB GLU A 84 -1.854 -1.470 9.236 1.00 0.00 C ATOM 1376 CG GLU A 84 -1.519 -2.950 9.032 1.00 0.00 C ATOM 1377 CD GLU A 84 -2.657 -3.634 8.271 1.00 0.00 C ATOM 1378 OE1 GLU A 84 -3.267 -2.978 7.442 1.00 0.00 O ATOM 1379 OE2 GLU A 84 -2.899 -4.801 8.528 1.00 0.00 O ATOM 0 H GLU A 84 -0.271 0.826 8.579 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.649 -1.357 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.238 -1.054 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.893 -1.362 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.586 -3.049 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.369 -3.436 9.996 1.00 0.00 H new ATOM 1386 N PHE A 85 -3.791 -0.037 7.136 1.00 0.00 N ATOM 1387 CA PHE A 85 -4.919 0.907 6.879 1.00 0.00 C ATOM 1388 C PHE A 85 -6.054 0.129 6.226 1.00 0.00 C ATOM 1389 O PHE A 85 -5.836 -0.619 5.301 1.00 0.00 O ATOM 1390 CB PHE A 85 -4.371 1.959 5.918 1.00 0.00 C ATOM 1391 CG PHE A 85 -3.717 1.278 4.736 1.00 0.00 C ATOM 1392 CD1 PHE A 85 -4.474 0.958 3.604 1.00 0.00 C ATOM 1393 CD2 PHE A 85 -2.356 0.958 4.779 1.00 0.00 C ATOM 1394 CE1 PHE A 85 -3.869 0.319 2.515 1.00 0.00 C ATOM 1395 CE2 PHE A 85 -1.754 0.317 3.691 1.00 0.00 C ATOM 1396 CZ PHE A 85 -2.512 -0.002 2.560 1.00 0.00 C ATOM 0 H PHE A 85 -3.954 -0.991 6.813 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.298 1.373 7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.177 2.608 5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.648 2.593 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.525 1.204 3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.770 1.206 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.453 0.075 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.704 0.068 3.725 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.047 -0.497 1.721 1.00 0.00 H new ATOM 1406 N THR A 86 -7.254 0.274 6.704 1.00 0.00 N ATOM 1407 CA THR A 86 -8.381 -0.509 6.101 1.00 0.00 C ATOM 1408 C THR A 86 -9.092 0.289 5.007 1.00 0.00 C ATOM 1409 O THR A 86 -9.568 1.386 5.219 1.00 0.00 O ATOM 1410 CB THR A 86 -9.348 -0.846 7.247 1.00 0.00 C ATOM 1411 OG1 THR A 86 -10.177 0.277 7.511 1.00 0.00 O ATOM 1412 CG2 THR A 86 -8.574 -1.222 8.517 1.00 0.00 C ATOM 0 H THR A 86 -7.509 0.890 7.476 1.00 0.00 H new ATOM 0 HA THR A 86 -8.005 -1.415 5.626 1.00 0.00 H new ATOM 0 HB THR A 86 -9.960 -1.697 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.882 1.036 6.966 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.278 -1.457 9.316 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.948 -2.092 8.317 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.946 -0.385 8.821 1.00 0.00 H new ATOM 1420 N LEU A 87 -9.151 -0.276 3.832 1.00 0.00 N ATOM 1421 CA LEU A 87 -9.814 0.393 2.674 1.00 0.00 C ATOM 1422 C LEU A 87 -10.987 -0.451 2.219 1.00 0.00 C ATOM 1423 O LEU A 87 -10.895 -1.230 1.291 1.00 0.00 O ATOM 1424 CB LEU A 87 -8.729 0.433 1.607 1.00 0.00 C ATOM 1425 CG LEU A 87 -7.880 1.707 1.720 1.00 0.00 C ATOM 1426 CD1 LEU A 87 -7.811 2.230 3.165 1.00 0.00 C ATOM 1427 CD2 LEU A 87 -6.471 1.362 1.257 1.00 0.00 C ATOM 0 H LEU A 87 -8.759 -1.194 3.621 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.202 1.386 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.088 -0.443 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.186 0.385 0.619 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.334 2.487 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.200 3.132 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.817 2.460 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.367 1.469 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.839 2.247 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.062 0.575 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.502 1.016 0.224 1.00 0.00 H new ATOM 1439 N THR A 88 -12.077 -0.316 2.898 1.00 0.00 N ATOM 1440 CA THR A 88 -13.284 -1.140 2.562 1.00 0.00 C ATOM 1441 C THR A 88 -13.973 -0.654 1.285 1.00 0.00 C ATOM 1442 O THR A 88 -13.742 0.439 0.803 1.00 0.00 O ATOM 1443 CB THR A 88 -14.228 -1.027 3.764 1.00 0.00 C ATOM 1444 OG1 THR A 88 -13.492 -0.686 4.932 1.00 0.00 O ATOM 1445 CG2 THR A 88 -14.919 -2.377 3.975 1.00 0.00 C ATOM 0 H THR A 88 -12.198 0.330 3.678 1.00 0.00 H new ATOM 0 HA THR A 88 -12.997 -2.174 2.371 1.00 0.00 H new ATOM 0 HB THR A 88 -14.969 -0.250 3.574 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.103 -0.614 5.695 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.594 -2.311 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.487 -2.639 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.168 -3.144 4.165 1.00 0.00 H new ATOM 1453 N ILE A 89 -14.827 -1.484 0.746 1.00 0.00 N ATOM 1454 CA ILE A 89 -15.557 -1.134 -0.504 1.00 0.00 C ATOM 1455 C ILE A 89 -16.993 -1.656 -0.435 1.00 0.00 C ATOM 1456 O ILE A 89 -17.480 -2.297 -1.345 1.00 0.00 O ATOM 1457 CB ILE A 89 -14.793 -1.815 -1.646 1.00 0.00 C ATOM 1458 CG1 ILE A 89 -14.806 -3.350 -1.464 1.00 0.00 C ATOM 1459 CG2 ILE A 89 -13.356 -1.289 -1.687 1.00 0.00 C ATOM 1460 CD1 ILE A 89 -13.885 -3.786 -0.320 1.00 0.00 C ATOM 0 H ILE A 89 -15.052 -2.403 1.127 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.609 -0.055 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.282 -1.583 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.823 -3.685 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.490 -3.830 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.814 -1.774 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.368 -0.211 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.862 -1.507 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.918 -4.871 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.864 -3.473 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.217 -3.325 0.610 1.00 0.00 H new ATOM 1472 N GLN A 90 -17.657 -1.386 0.656 1.00 0.00 N ATOM 1473 CA GLN A 90 -19.068 -1.842 0.859 1.00 0.00 C ATOM 1474 C GLN A 90 -19.883 -1.766 -0.433 1.00 0.00 C ATOM 1475 O GLN A 90 -20.134 -0.716 -0.964 1.00 0.00 O ATOM 1476 CB GLN A 90 -19.643 -0.866 1.889 1.00 0.00 C ATOM 1477 CG GLN A 90 -20.728 -1.557 2.724 1.00 0.00 C ATOM 1478 CD GLN A 90 -21.778 -2.191 1.806 1.00 0.00 C ATOM 1479 OE1 GLN A 90 -22.801 -1.597 1.529 1.00 0.00 O ATOM 1480 NE2 GLN A 90 -21.566 -3.384 1.322 1.00 0.00 N ATOM 0 H GLN A 90 -17.272 -0.855 1.437 1.00 0.00 H new ATOM 0 HA GLN A 90 -19.104 -2.883 1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -18.848 -0.503 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -20.062 0.004 1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -20.278 -2.322 3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -21.203 -0.834 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -20.707 -3.883 1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -22.259 -3.817 0.712 1.00 0.00 H new ATOM 1489 N LYS A 91 -20.304 -2.880 -0.931 1.00 0.00 N ATOM 1490 CA LYS A 91 -21.119 -2.884 -2.182 1.00 0.00 C ATOM 1491 C LYS A 91 -20.469 -2.022 -3.269 1.00 0.00 C ATOM 1492 O LYS A 91 -21.052 -1.012 -3.626 1.00 0.00 O ATOM 1493 CB LYS A 91 -22.467 -2.313 -1.769 1.00 0.00 C ATOM 1494 CG LYS A 91 -23.405 -3.454 -1.369 1.00 0.00 C ATOM 1495 CD LYS A 91 -24.554 -3.547 -2.374 1.00 0.00 C ATOM 1496 CE LYS A 91 -25.849 -3.901 -1.639 1.00 0.00 C ATOM 1497 NZ LYS A 91 -26.604 -2.620 -1.552 1.00 0.00 N ATOM 1498 OXT LYS A 91 -19.400 -2.390 -3.727 1.00 0.00 O ATOM 0 H LYS A 91 -20.123 -3.800 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.208 -3.884 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.341 -1.623 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.900 -1.744 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.857 -4.396 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -23.798 -3.282 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -24.669 -2.599 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.332 -4.304 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -26.416 -4.658 -2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.643 -4.306 -0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -27.438 -2.749 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.992 -1.883 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -26.909 -2.332 -2.503 1.00 0.00 H new TER 1512 LYS A 91 END