USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 956 hydrogens (4 hets) HEADER SIGNALING PROTEIN 04-NOV-99 1DC8 TITLE STRUCTURE OF A TRANSIENTLY PHOSPHORYLATED "SWITCH" IN TITLE 2 BACTERIAL SIGNAL TRANSDUCTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: NITROGEN REGULATION PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL RECEIVER DOMAIN(1-124); COMPND 5 SYNONYM: NTRC; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; SOURCE 3 ORGANISM_TAXID: 602; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PJES592 KEYWDS RECEIVER DOMAIN, PHOSPHORYLATION, SIGNAL TRANSDUCTION, KEYWDS 2 CONFORMATIONAL REARRANGEMENT, TWO-COMPONENT SYSTEM, KEYWDS 3 SIGNALING PROTEIN EXPDTA SOLUTION NMR AUTHOR D.KERN,B.F.VOLKMAN,P.LUGINBUHL,M.J.NOHAILE,S.KUSTU, AUTHOR 2 D.E.WEMMER REVDAT 2 24-FEB-09 1DC8 1 VERSN REVDAT 1 05-JAN-00 1DC8 0 JRNL AUTH D.KERN,B.F.VOLKMAN,P.LUGINBUHL,M.J.NOHAILE,S.KUSTU, JRNL AUTH 2 D.E.WEMMER JRNL TITL STRUCTURE OF A TRANSIENTLY PHOSPHORYLATED SWITCH JRNL TITL 2 IN BACTERIAL SIGNAL TRANSDUCTION. JRNL REF NATURE V. 402 894 1999 JRNL REFN ISSN 0028-0836 JRNL PMID 10622255 JRNL DOI 10.1038/47273 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.F.VOLKMAN,M.J.NOHAILE,N.K.AMY,S.KUSTU,D.E.WEMMER REMARK 1 TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE REMARK 1 TITL 2 N-TERMINAL RECEIVER DOMAIN OF NTRC REMARK 1 REF BIOCHEMISTRY V. 34 1413 1995 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5 REMARK 3 AUTHORS : PETER GUENTERT REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURE BASED ON A TOTAL OF 1301 REMARK 3 UNIQUE DISTANCE CONSTRAINTS (OBTAINED FROM 3095 NOE REMARK 3 CROSSPEAKS), INCLUDING 374 INTRARESIDUE, 405 SHORT-RANGE, 228 REMARK 3 MEDIUM RANGE AND 294 LONG-RANGE CONSTRAINTS. DYANA 1.5 ANNEAL REMARK 3 COMMAND (10000 STEPS) USED TO GENERATE 40 CONFORMERS. 20 REMARK 3 LOWEST TARGET FUNCTION STRUCTURES ANALYZED. CONFORMER 4 CHOSEN REMARK 3 FOR DEPOSITION AS CLOSEST TO MEAN COORDINATES OF THE ENSEMBLE. REMARK 4 REMARK 4 1DC8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-NOV-99. REMARK 100 THE RCSB ID CODE IS RCSB009966. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.75 REMARK 210 IONIC STRENGTH : 250-500 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 0.3 MM NTRC(1-124) U-15N; 200 REMARK 210 MM SODIUM PHOSPHATE, PH 6.75; REMARK 210 50 MM MAGNESIUM CHLORIDE; 200 REMARK 210 MM CARBAMOYLPHOSPHATE; 0.3 MM REMARK 210 NTRC(1-124) U-15N,13C; 200 MM REMARK 210 SODIUM PHOSPHATE, PH 6.75; 50 REMARK 210 MM MAGNESIUM CHLORIDE; 200 MM REMARK 210 CARBAMOYLPHOSPHATE; 0.3 MM REMARK 210 NTRC(1-124) U-15N; 200 MM REMARK 210 SODIUM PHOSPHATE, PH 6.75; 50 REMARK 210 MM MAGNESIUM CHLORIDE; 200 MM REMARK 210 CARBAMOYLPHOSPHATE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5, FELIX 95.0, REMARK 210 XWINNMR 1.5, XEASY 1.3.13 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS 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: PHOSPHORYLATION (>95%) COULD BE MAINTAINED FOR 36 HR. REMARK 210 TO OBTAIN SUFFICIENT S/N IN 3D NOESY EXPERIMENTS, MULTIPLE REMARK 210 (TYPICALLY 4) COMPLETE 3D DATASETS WERE ACQUIRED ON FRESHLY REMARK 210 PREPARED SAMPLES AND THEN COADDED TO YIELD HIGH-QUALITY REMARK 210 DATASETS FOR STRUCTURE DETERMINATION. 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 PHD A 54 P OP1 OP2 OP3 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 ASP A 11 31.46 -166.49 REMARK 500 ASP A 12 -79.73 -62.13 REMARK 500 SER A 13 -44.69 -154.99 REMARK 500 SER A 14 41.73 -174.95 REMARK 500 LEU A 28 147.88 174.95 REMARK 500 THR A 29 109.33 55.61 REMARK 500 GLU A 34 -76.87 -95.82 REMARK 500 ASN A 37 -74.16 -59.81 REMARK 500 LYS A 46 -78.25 -97.65 REMARK 500 THR A 47 103.78 71.31 REMARK 500 PRO A 48 -162.46 -75.00 REMARK 500 LEU A 52 -157.62 -104.78 REMARK 500 ARG A 56 38.98 175.50 REMARK 500 MET A 60 -82.26 -139.57 REMARK 500 ASP A 61 165.04 50.41 REMARK 500 ALA A 64 -139.33 34.23 REMARK 500 LEU A 65 -89.98 -46.19 REMARK 500 LEU A 66 -25.20 154.84 REMARK 500 LYS A 67 -72.39 -80.13 REMARK 500 LYS A 70 -91.81 -52.23 REMARK 500 HIS A 73 84.00 -165.39 REMARK 500 ILE A 79 -147.73 35.37 REMARK 500 THR A 82 120.67 161.85 REMARK 500 ALA A 83 -143.94 -83.93 REMARK 500 HIS A 84 -156.80 45.96 REMARK 500 ASP A 86 55.69 179.30 REMARK 500 VAL A 91 -60.26 -137.62 REMARK 500 GLN A 95 44.94 -179.06 REMARK 500 GLN A 96 -89.93 -174.47 REMARK 500 ALA A 98 131.98 93.97 REMARK 500 TYR A 101 140.97 -176.29 REMARK 500 LYS A 104 171.30 55.52 REMARK 500 PHE A 106 -171.52 -51.61 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NTR RELATED DB: PDB REMARK 900 THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE N-TERMINAL REMARK 900 RECEIVER DOMAIN OF NTRC REMARK 900 RELATED ID: 1DC7 RELATED DB: PDB REMARK 900 UNPHOSPHORYLATED NTRC RECEIVER DOMAIN DBREF 1DC8 A 1 124 UNP P41789 NTRC_SALTY 1 124 SEQADV 1DC8 PHD A 54 UNP P41789 ASP 54 AUTOPHOSPHORYLATION SEQRES 1 A 124 MET GLN ARG GLY ILE VAL TRP VAL VAL ASP ASP ASP SER SEQRES 2 A 124 SER ILE ARG TRP VAL LEU GLU ARG ALA LEU ALA GLY ALA SEQRES 3 A 124 GLY LEU THR CYS THR THR PHE GLU ASN GLY ASN GLU VAL SEQRES 4 A 124 LEU ALA ALA LEU ALA SER LYS THR PRO ASP VAL LEU LEU SEQRES 5 A 124 SER PHD ILE ARG MET PRO GLY MET ASP GLY LEU ALA LEU SEQRES 6 A 124 LEU LYS GLN ILE LYS GLN ARG HIS PRO MET LEU PRO VAL SEQRES 7 A 124 ILE ILE MET THR ALA HIS SER ASP LEU ASP ALA ALA VAL SEQRES 8 A 124 SER ALA TYR GLN GLN GLY ALA PHE ASP TYR LEU PRO LYS SEQRES 9 A 124 PRO PHE ASP ILE ASP GLU ALA VAL ALA LEU VAL GLU ARG SEQRES 10 A 124 ALA ILE SER HIS TYR GLN GLU MODRES 1DC8 PHD A 54 ASP ASPARTYL PHOSPHATE HET PHD A 54 12 HETNAM PHD ASPARTYL PHOSPHATE FORMUL 1 PHD C4 H8 N O7 P HELIX 1 1 ILE A 15 ALA A 24 1 10 HELIX 2 2 GLY A 25 GLY A 27 5 3 HELIX 3 3 GLY A 36 ALA A 42 1 7 HELIX 4 4 GLN A 68 HIS A 73 1 6 HELIX 5 5 ILE A 108 SER A 120 1 13 HELIX 6 6 HIS A 121 GLN A 123 5 3 LINK C SER A 53 N PHD A 54 1555 1555 1.33 LINK C PHD A 54 N ILE A 55 1555 1555 1.33 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 54 PHD H2 : A 54 PHD N : A 53 SER C :(H bumps) USER MOD NoAdj-H: A 54 PHD H : A 54 PHD N : A 53 SER C :(H bumps) USER MOD Set 1.1: A 53 SER OG : rot 74:sc= 0.0895 USER MOD Set 1.2: A 60 MET CE :methyl 156:sc= -2.23 (180deg=-4.45!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 54:sc= 0.261 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 12:sc= -3.61! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.112 F(o=-0.98,f=0.11) USER MOD Single : A 37 ASN : amide:sc= -0.214 K(o=-0.21,f=-2!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.667 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 57 MET CE :methyl -115:sc= -1.13 (180deg=-6.12!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -10.6! C(o=-12!,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.042) USER MOD Single : A 73 HIS : no HD1:sc= -8.38! C(o=-8.4!,f=-10!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -137:sc= -4.23! (180deg=-4.97!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.064) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 140:sc= -0.328 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.0059) USER MOD Single : A 96 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.2) USER MOD Single : A 101 TYR OH : rot -30:sc= -0.905 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.661 12.373 11.325 1.00 0.00 N ATOM 2 CA MET A 1 -17.085 12.544 12.648 1.00 0.00 C ATOM 3 C MET A 1 -15.639 12.046 12.684 1.00 0.00 C ATOM 4 O MET A 1 -14.731 12.792 13.051 1.00 0.00 O ATOM 5 CB MET A 1 -17.917 11.769 13.671 1.00 0.00 C ATOM 6 CG MET A 1 -18.727 12.722 14.553 1.00 0.00 C ATOM 7 SD MET A 1 -20.212 13.229 13.700 1.00 0.00 S ATOM 8 CE MET A 1 -21.348 13.303 15.074 1.00 0.00 C ATOM 0 H1 MET A 1 -18.642 12.718 11.326 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.105 12.913 10.632 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.649 11.365 11.069 1.00 0.00 H new ATOM 0 HA MET A 1 -17.090 13.606 12.892 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.590 11.085 13.154 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.261 11.161 14.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.986 12.231 15.491 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.126 13.596 14.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.332 13.607 14.717 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.419 12.321 15.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.988 14.027 15.805 1.00 0.00 H new ATOM 18 N GLN A 2 -15.469 10.791 12.299 1.00 0.00 N ATOM 19 CA GLN A 2 -14.148 10.185 12.283 1.00 0.00 C ATOM 20 C GLN A 2 -13.972 9.329 11.027 1.00 0.00 C ATOM 21 O GLN A 2 -14.841 8.525 10.693 1.00 0.00 O ATOM 22 CB GLN A 2 -13.908 9.359 13.548 1.00 0.00 C ATOM 23 CG GLN A 2 -13.480 10.252 14.713 1.00 0.00 C ATOM 24 CD GLN A 2 -12.075 10.816 14.484 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.852 11.671 13.643 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.146 10.292 15.277 1.00 0.00 N ATOM 0 H GLN A 2 -16.224 10.176 11.995 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.404 10.982 12.263 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.818 8.821 13.813 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.139 8.610 13.357 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.190 11.071 14.828 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.500 9.680 15.641 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.402 9.579 15.960 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.177 10.603 15.202 1.00 0.00 H new ATOM 35 N ARG A 3 -12.842 9.530 10.366 1.00 0.00 N ATOM 36 CA ARG A 3 -12.541 8.787 9.154 1.00 0.00 C ATOM 37 C ARG A 3 -11.075 8.346 9.152 1.00 0.00 C ATOM 38 O ARG A 3 -10.275 8.836 9.947 1.00 0.00 O ATOM 39 CB ARG A 3 -12.814 9.630 7.908 1.00 0.00 C ATOM 40 CG ARG A 3 -11.847 10.813 7.823 1.00 0.00 C ATOM 41 CD ARG A 3 -12.460 11.967 7.026 1.00 0.00 C ATOM 42 NE ARG A 3 -12.110 13.259 7.655 1.00 0.00 N ATOM 43 CZ ARG A 3 -12.507 14.452 7.193 1.00 0.00 C ATOM 44 NH1 ARG A 3 -13.270 14.524 6.094 1.00 0.00 N ATOM 45 NH2 ARG A 3 -12.141 15.574 7.829 1.00 0.00 N ATOM 0 H ARG A 3 -12.123 10.197 10.647 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.188 7.910 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.715 9.010 7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.841 9.996 7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.595 11.154 8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.917 10.494 7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.097 11.943 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.543 11.855 6.984 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.530 13.240 8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.548 13.671 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.573 15.432 5.742 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.560 15.520 8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.444 16.482 7.476 1.00 0.00 H new ATOM 59 N GLY A 4 -10.769 7.424 8.251 1.00 0.00 N ATOM 60 CA GLY A 4 -9.415 6.912 8.135 1.00 0.00 C ATOM 61 C GLY A 4 -9.403 5.382 8.153 1.00 0.00 C ATOM 62 O GLY A 4 -9.937 4.765 9.073 1.00 0.00 O ATOM 0 H GLY A 4 -11.436 7.018 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.965 7.272 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.807 7.294 8.955 1.00 0.00 H new ATOM 66 N ILE A 5 -8.789 4.815 7.124 1.00 0.00 N ATOM 67 CA ILE A 5 -8.701 3.369 7.011 1.00 0.00 C ATOM 68 C ILE A 5 -7.299 2.983 6.536 1.00 0.00 C ATOM 69 O ILE A 5 -6.629 3.768 5.867 1.00 0.00 O ATOM 70 CB ILE A 5 -9.823 2.833 6.118 1.00 0.00 C ATOM 71 CG1 ILE A 5 -11.196 3.157 6.708 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.648 1.335 5.859 1.00 0.00 C ATOM 73 CD1 ILE A 5 -11.740 4.472 6.144 1.00 0.00 C ATOM 0 H ILE A 5 -8.348 5.330 6.362 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.848 2.901 7.984 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.762 3.336 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.891 2.347 6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.122 3.226 7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.458 0.979 5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.693 1.161 5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.668 0.797 6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.717 4.678 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.055 5.284 6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.836 4.392 5.061 1.00 0.00 H new ATOM 85 N VAL A 6 -6.898 1.774 6.900 1.00 0.00 N ATOM 86 CA VAL A 6 -5.587 1.275 6.519 1.00 0.00 C ATOM 87 C VAL A 6 -5.732 -0.133 5.938 1.00 0.00 C ATOM 88 O VAL A 6 -6.278 -1.024 6.588 1.00 0.00 O ATOM 89 CB VAL A 6 -4.637 1.332 7.716 1.00 0.00 C ATOM 90 CG1 VAL A 6 -3.826 2.630 7.712 1.00 0.00 C ATOM 91 CG2 VAL A 6 -5.402 1.169 9.032 1.00 0.00 C ATOM 0 H VAL A 6 -7.457 1.125 7.454 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.149 1.904 5.744 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.939 0.500 7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.159 2.645 8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.238 2.689 6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.503 3.482 7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.703 1.213 9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.134 1.971 9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.914 0.207 9.038 1.00 0.00 H new ATOM 101 N TRP A 7 -5.233 -0.290 4.721 1.00 0.00 N ATOM 102 CA TRP A 7 -5.300 -1.575 4.045 1.00 0.00 C ATOM 103 C TRP A 7 -3.872 -2.107 3.898 1.00 0.00 C ATOM 104 O TRP A 7 -2.927 -1.331 3.768 1.00 0.00 O ATOM 105 CB TRP A 7 -6.033 -1.454 2.708 1.00 0.00 C ATOM 106 CG TRP A 7 -7.506 -1.864 2.766 1.00 0.00 C ATOM 107 CD1 TRP A 7 -8.230 -2.189 3.845 1.00 0.00 C ATOM 108 CD2 TRP A 7 -8.411 -1.980 1.647 1.00 0.00 C ATOM 109 NE1 TRP A 7 -9.529 -2.505 3.507 1.00 0.00 N ATOM 110 CE2 TRP A 7 -9.643 -2.373 2.128 1.00 0.00 C ATOM 111 CE3 TRP A 7 -8.195 -1.759 0.276 1.00 0.00 C ATOM 112 CZ2 TRP A 7 -10.756 -2.580 1.304 1.00 0.00 C ATOM 113 CZ3 TRP A 7 -9.317 -1.970 -0.534 1.00 0.00 C ATOM 114 CH2 TRP A 7 -10.565 -2.366 -0.066 1.00 0.00 C ATOM 0 H TRP A 7 -4.781 0.451 4.185 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.879 -2.289 4.631 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -5.967 -0.423 2.361 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -5.523 -2.072 1.969 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -7.845 -2.202 4.854 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.270 -2.784 4.150 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.239 -1.451 -0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.711 -2.888 1.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.205 -1.814 -1.597 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.383 -2.508 -0.756 1.00 0.00 H new ATOM 125 N VAL A 8 -3.762 -3.427 3.924 1.00 0.00 N ATOM 126 CA VAL A 8 -2.465 -4.072 3.796 1.00 0.00 C ATOM 127 C VAL A 8 -2.646 -5.442 3.139 1.00 0.00 C ATOM 128 O VAL A 8 -3.579 -6.174 3.467 1.00 0.00 O ATOM 129 CB VAL A 8 -1.781 -4.149 5.162 1.00 0.00 C ATOM 130 CG1 VAL A 8 -0.515 -5.004 5.094 1.00 0.00 C ATOM 131 CG2 VAL A 8 -1.470 -2.750 5.698 1.00 0.00 C ATOM 0 H VAL A 8 -4.549 -4.067 4.032 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.808 -3.486 3.153 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.471 -4.628 5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.048 -5.042 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.775 -6.014 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.182 -4.566 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.984 -2.833 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.807 -2.233 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.397 -2.186 5.802 1.00 0.00 H new ATOM 141 N VAL A 9 -1.737 -5.749 2.225 1.00 0.00 N ATOM 142 CA VAL A 9 -1.783 -7.019 1.520 1.00 0.00 C ATOM 143 C VAL A 9 -0.386 -7.641 1.507 1.00 0.00 C ATOM 144 O VAL A 9 0.568 -7.024 1.035 1.00 0.00 O ATOM 145 CB VAL A 9 -2.362 -6.817 0.118 1.00 0.00 C ATOM 146 CG1 VAL A 9 -3.755 -6.188 0.185 1.00 0.00 C ATOM 147 CG2 VAL A 9 -1.421 -5.978 -0.748 1.00 0.00 C ATOM 0 H VAL A 9 -0.964 -5.140 1.956 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.444 -7.718 2.033 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.460 -7.797 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.143 -6.055 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.422 -6.841 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.693 -5.219 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.856 -5.850 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.275 -5.001 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.460 -6.484 -0.837 1.00 0.00 H new ATOM 157 N ASP A 10 -0.309 -8.856 2.030 1.00 0.00 N ATOM 158 CA ASP A 10 0.956 -9.569 2.084 1.00 0.00 C ATOM 159 C ASP A 10 0.690 -11.052 2.351 1.00 0.00 C ATOM 160 O ASP A 10 -0.462 -11.475 2.428 1.00 0.00 O ATOM 161 CB ASP A 10 1.840 -9.036 3.214 1.00 0.00 C ATOM 162 CG ASP A 10 3.343 -9.077 2.932 1.00 0.00 C ATOM 163 OD1 ASP A 10 3.728 -9.828 2.009 1.00 0.00 O ATOM 164 OD2 ASP A 10 4.074 -8.358 3.646 1.00 0.00 O ATOM 0 H ASP A 10 -1.102 -9.365 2.420 1.00 0.00 H new ATOM 0 HA ASP A 10 1.464 -9.427 1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.553 -8.006 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.639 -9.614 4.116 1.00 0.00 H new ATOM 169 N ASP A 11 1.775 -11.799 2.486 1.00 0.00 N ATOM 170 CA ASP A 11 1.674 -13.226 2.743 1.00 0.00 C ATOM 171 C ASP A 11 3.038 -13.759 3.182 1.00 0.00 C ATOM 172 O ASP A 11 3.375 -14.911 2.911 1.00 0.00 O ATOM 173 CB ASP A 11 1.252 -13.984 1.483 1.00 0.00 C ATOM 174 CG ASP A 11 1.118 -15.498 1.654 1.00 0.00 C ATOM 175 OD1 ASP A 11 0.825 -15.917 2.795 1.00 0.00 O ATOM 176 OD2 ASP A 11 1.312 -16.203 0.640 1.00 0.00 O ATOM 0 H ASP A 11 2.729 -11.443 2.422 1.00 0.00 H new ATOM 0 HA ASP A 11 0.926 -13.376 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.297 -13.586 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.980 -13.785 0.697 1.00 0.00 H new ATOM 181 N ASP A 12 3.788 -12.896 3.852 1.00 0.00 N ATOM 182 CA ASP A 12 5.109 -13.267 4.330 1.00 0.00 C ATOM 183 C ASP A 12 4.981 -14.419 5.328 1.00 0.00 C ATOM 184 O ASP A 12 5.206 -15.576 4.977 1.00 0.00 O ATOM 185 CB ASP A 12 5.784 -12.095 5.046 1.00 0.00 C ATOM 186 CG ASP A 12 6.952 -11.459 4.288 1.00 0.00 C ATOM 187 OD1 ASP A 12 7.870 -12.223 3.917 1.00 0.00 O ATOM 188 OD2 ASP A 12 6.899 -10.226 4.095 1.00 0.00 O ATOM 0 H ASP A 12 3.506 -11.941 4.075 1.00 0.00 H new ATOM 0 HA ASP A 12 5.710 -13.559 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.035 -11.327 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.144 -12.440 6.015 1.00 0.00 H new ATOM 193 N SER A 13 4.620 -14.062 6.552 1.00 0.00 N ATOM 194 CA SER A 13 4.460 -15.052 7.603 1.00 0.00 C ATOM 195 C SER A 13 3.490 -14.534 8.667 1.00 0.00 C ATOM 196 O SER A 13 2.608 -15.265 9.117 1.00 0.00 O ATOM 197 CB SER A 13 5.807 -15.404 8.239 1.00 0.00 C ATOM 198 OG SER A 13 5.990 -16.812 8.356 1.00 0.00 O ATOM 0 H SER A 13 4.434 -13.101 6.839 1.00 0.00 H new ATOM 0 HA SER A 13 4.051 -15.959 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.613 -14.982 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.872 -14.947 9.226 1.00 0.00 H new ATOM 0 HG SER A 13 6.862 -16.996 8.765 1.00 0.00 H new ATOM 204 N SER A 14 3.684 -13.277 9.037 1.00 0.00 N ATOM 205 CA SER A 14 2.838 -12.652 10.040 1.00 0.00 C ATOM 206 C SER A 14 3.201 -11.173 10.182 1.00 0.00 C ATOM 207 O SER A 14 3.261 -10.650 11.294 1.00 0.00 O ATOM 208 CB SER A 14 2.964 -13.363 11.388 1.00 0.00 C ATOM 209 OG SER A 14 3.927 -12.739 12.232 1.00 0.00 O ATOM 0 H SER A 14 4.415 -12.674 8.660 1.00 0.00 H new ATOM 0 HA SER A 14 1.801 -12.735 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.995 -13.369 11.887 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.245 -14.403 11.224 1.00 0.00 H new ATOM 0 HG SER A 14 3.719 -11.785 12.316 1.00 0.00 H new ATOM 215 N ILE A 15 3.433 -10.540 9.042 1.00 0.00 N ATOM 216 CA ILE A 15 3.789 -9.132 9.026 1.00 0.00 C ATOM 217 C ILE A 15 2.514 -8.287 9.074 1.00 0.00 C ATOM 218 O ILE A 15 2.353 -7.447 9.958 1.00 0.00 O ATOM 219 CB ILE A 15 4.689 -8.819 7.829 1.00 0.00 C ATOM 220 CG1 ILE A 15 6.163 -9.019 8.184 1.00 0.00 C ATOM 221 CG2 ILE A 15 4.415 -7.414 7.288 1.00 0.00 C ATOM 222 CD1 ILE A 15 6.739 -7.770 8.857 1.00 0.00 C ATOM 0 H ILE A 15 3.381 -10.977 8.122 1.00 0.00 H new ATOM 0 HA ILE A 15 4.374 -8.878 9.910 1.00 0.00 H new ATOM 0 HB ILE A 15 4.452 -9.523 7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.268 -9.876 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.731 -9.245 7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.068 -7.218 6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.375 -7.343 6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.607 -6.679 8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.788 -7.938 9.099 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.655 -6.920 8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.184 -7.561 9.772 1.00 0.00 H new ATOM 234 N ARG A 16 1.639 -8.540 8.111 1.00 0.00 N ATOM 235 CA ARG A 16 0.383 -7.814 8.032 1.00 0.00 C ATOM 236 C ARG A 16 -0.347 -7.868 9.375 1.00 0.00 C ATOM 237 O ARG A 16 -1.216 -7.041 9.647 1.00 0.00 O ATOM 238 CB ARG A 16 -0.522 -8.395 6.944 1.00 0.00 C ATOM 239 CG ARG A 16 -1.246 -9.647 7.445 1.00 0.00 C ATOM 240 CD ARG A 16 -0.264 -10.800 7.660 1.00 0.00 C ATOM 241 NE ARG A 16 -0.933 -12.092 7.389 1.00 0.00 N ATOM 242 CZ ARG A 16 -1.829 -12.660 8.208 1.00 0.00 C ATOM 243 NH1 ARG A 16 -2.168 -12.053 9.354 1.00 0.00 N ATOM 244 NH2 ARG A 16 -2.385 -13.835 7.881 1.00 0.00 N ATOM 0 H ARG A 16 1.775 -9.237 7.379 1.00 0.00 H new ATOM 0 HA ARG A 16 0.614 -6.779 7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.252 -7.647 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.073 -8.642 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.761 -9.424 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.008 -9.943 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.597 -10.682 7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.111 -10.783 8.683 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.698 -12.581 6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.744 -11.159 9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.850 -12.485 9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.126 -14.297 7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.067 -14.268 8.504 1.00 0.00 H new ATOM 258 N TRP A 17 0.034 -8.848 10.181 1.00 0.00 N ATOM 259 CA TRP A 17 -0.574 -9.022 11.489 1.00 0.00 C ATOM 260 C TRP A 17 -0.008 -7.946 12.419 1.00 0.00 C ATOM 261 O TRP A 17 -0.721 -7.419 13.271 1.00 0.00 O ATOM 262 CB TRP A 17 -0.352 -10.442 12.013 1.00 0.00 C ATOM 263 CG TRP A 17 0.391 -10.503 13.350 1.00 0.00 C ATOM 264 CD1 TRP A 17 1.551 -11.114 13.621 1.00 0.00 C ATOM 265 CD2 TRP A 17 -0.028 -9.902 14.594 1.00 0.00 C ATOM 266 NE1 TRP A 17 1.912 -10.952 14.944 1.00 0.00 N ATOM 267 CE2 TRP A 17 0.921 -10.192 15.554 1.00 0.00 C ATOM 268 CE3 TRP A 17 -1.169 -9.139 14.898 1.00 0.00 C ATOM 269 CZ2 TRP A 17 0.825 -9.759 16.881 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -1.251 -8.714 16.229 1.00 0.00 C ATOM 271 CH2 TRP A 17 -0.305 -8.997 17.208 1.00 0.00 C ATOM 0 H TRP A 17 0.757 -9.530 9.953 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.656 -8.900 11.431 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.319 -10.933 12.124 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.210 -11.009 11.271 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.132 -11.665 12.896 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.751 -11.322 15.391 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.923 -8.900 14.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 1.581 -9.999 17.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.109 -8.125 16.516 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.440 -8.632 18.215 1.00 0.00 H new ATOM 282 N VAL A 18 1.270 -7.652 12.223 1.00 0.00 N ATOM 283 CA VAL A 18 1.939 -6.649 13.032 1.00 0.00 C ATOM 284 C VAL A 18 1.808 -5.282 12.356 1.00 0.00 C ATOM 285 O VAL A 18 1.809 -4.251 13.027 1.00 0.00 O ATOM 286 CB VAL A 18 3.394 -7.058 13.276 1.00 0.00 C ATOM 287 CG1 VAL A 18 4.203 -5.892 13.848 1.00 0.00 C ATOM 288 CG2 VAL A 18 3.473 -8.282 14.189 1.00 0.00 C ATOM 0 H VAL A 18 1.859 -8.091 11.515 1.00 0.00 H new ATOM 0 HA VAL A 18 1.467 -6.573 14.012 1.00 0.00 H new ATOM 0 HB VAL A 18 3.832 -7.329 12.315 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.233 -6.209 14.012 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.188 -5.059 13.145 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.766 -5.576 14.795 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.517 -8.552 14.346 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.009 -8.051 15.148 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.949 -9.117 13.724 1.00 0.00 H new ATOM 298 N LEU A 19 1.698 -5.319 11.037 1.00 0.00 N ATOM 299 CA LEU A 19 1.566 -4.096 10.262 1.00 0.00 C ATOM 300 C LEU A 19 0.170 -3.507 10.483 1.00 0.00 C ATOM 301 O LEU A 19 0.031 -2.307 10.716 1.00 0.00 O ATOM 302 CB LEU A 19 1.898 -4.355 8.791 1.00 0.00 C ATOM 303 CG LEU A 19 3.129 -3.630 8.245 1.00 0.00 C ATOM 304 CD1 LEU A 19 2.758 -2.242 7.719 1.00 0.00 C ATOM 305 CD2 LEU A 19 4.239 -3.567 9.295 1.00 0.00 C ATOM 0 H LEU A 19 1.697 -6.176 10.484 1.00 0.00 H new ATOM 0 HA LEU A 19 2.286 -3.350 10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.042 -5.427 8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.036 -4.070 8.189 1.00 0.00 H new ATOM 0 HG LEU A 19 3.516 -4.202 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.651 -1.747 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.026 -2.340 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.333 -1.648 8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.103 -3.047 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.879 -3.031 10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.528 -4.579 9.580 1.00 0.00 H new ATOM 317 N GLU A 20 -0.825 -4.378 10.402 1.00 0.00 N ATOM 318 CA GLU A 20 -2.203 -3.957 10.590 1.00 0.00 C ATOM 319 C GLU A 20 -2.450 -3.585 12.053 1.00 0.00 C ATOM 320 O GLU A 20 -3.459 -2.960 12.377 1.00 0.00 O ATOM 321 CB GLU A 20 -3.175 -5.045 10.130 1.00 0.00 C ATOM 322 CG GLU A 20 -4.616 -4.684 10.496 1.00 0.00 C ATOM 323 CD GLU A 20 -5.100 -5.505 11.692 1.00 0.00 C ATOM 324 OE1 GLU A 20 -4.621 -6.652 11.824 1.00 0.00 O ATOM 325 OE2 GLU A 20 -5.938 -4.968 12.449 1.00 0.00 O ATOM 0 H GLU A 20 -0.705 -5.372 10.209 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.380 -3.074 9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.093 -5.179 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.906 -5.996 10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.680 -3.621 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.268 -4.862 9.641 1.00 0.00 H new ATOM 332 N ARG A 21 -1.511 -3.984 12.899 1.00 0.00 N ATOM 333 CA ARG A 21 -1.614 -3.700 14.320 1.00 0.00 C ATOM 334 C ARG A 21 -0.989 -2.340 14.636 1.00 0.00 C ATOM 335 O ARG A 21 -1.339 -1.709 15.632 1.00 0.00 O ATOM 336 CB ARG A 21 -0.916 -4.780 15.149 1.00 0.00 C ATOM 337 CG ARG A 21 -1.701 -5.084 16.426 1.00 0.00 C ATOM 338 CD ARG A 21 -0.782 -5.078 17.650 1.00 0.00 C ATOM 339 NE ARG A 21 -1.318 -4.160 18.680 1.00 0.00 N ATOM 340 CZ ARG A 21 -2.444 -4.382 19.372 1.00 0.00 C ATOM 341 NH1 ARG A 21 -3.160 -5.492 19.146 1.00 0.00 N ATOM 342 NH2 ARG A 21 -2.854 -3.494 20.287 1.00 0.00 N ATOM 0 H ARG A 21 -0.675 -4.502 12.627 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.672 -3.686 14.580 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.813 -5.689 14.556 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.091 -4.452 15.406 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.491 -4.344 16.556 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.186 -6.056 16.336 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.698 -6.086 18.057 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.222 -4.767 17.360 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.798 -3.305 18.875 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.848 -6.167 18.448 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.017 -5.662 19.672 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.309 -2.649 20.457 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.711 -3.663 20.814 1.00 0.00 H new ATOM 356 N ALA A 22 -0.074 -1.929 13.770 1.00 0.00 N ATOM 357 CA ALA A 22 0.603 -0.656 13.944 1.00 0.00 C ATOM 358 C ALA A 22 -0.057 0.395 13.049 1.00 0.00 C ATOM 359 O ALA A 22 0.030 1.591 13.322 1.00 0.00 O ATOM 360 CB ALA A 22 2.093 -0.824 13.643 1.00 0.00 C ATOM 0 H ALA A 22 0.214 -2.456 12.945 1.00 0.00 H new ATOM 0 HA ALA A 22 0.515 -0.313 14.975 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.601 0.132 13.774 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.521 -1.559 14.325 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.220 -1.165 12.616 1.00 0.00 H new ATOM 366 N LEU A 23 -0.702 -0.090 11.998 1.00 0.00 N ATOM 367 CA LEU A 23 -1.377 0.792 11.061 1.00 0.00 C ATOM 368 C LEU A 23 -2.732 1.205 11.641 1.00 0.00 C ATOM 369 O LEU A 23 -3.136 2.360 11.521 1.00 0.00 O ATOM 370 CB LEU A 23 -1.472 0.137 9.682 1.00 0.00 C ATOM 371 CG LEU A 23 -0.397 0.542 8.671 1.00 0.00 C ATOM 372 CD1 LEU A 23 -0.161 2.054 8.699 1.00 0.00 C ATOM 373 CD2 LEU A 23 0.895 -0.244 8.900 1.00 0.00 C ATOM 0 H LEU A 23 -0.771 -1.083 11.775 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.801 1.706 10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.431 -0.944 9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.448 0.371 9.257 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.754 0.290 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.607 2.316 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.088 2.572 8.450 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.165 2.353 9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.642 0.063 8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.268 -0.046 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.697 -1.310 8.790 1.00 0.00 H new ATOM 385 N ALA A 24 -3.395 0.237 12.257 1.00 0.00 N ATOM 386 CA ALA A 24 -4.696 0.486 12.855 1.00 0.00 C ATOM 387 C ALA A 24 -4.528 1.411 14.062 1.00 0.00 C ATOM 388 O ALA A 24 -5.403 2.227 14.350 1.00 0.00 O ATOM 389 CB ALA A 24 -5.349 -0.847 13.229 1.00 0.00 C ATOM 0 H ALA A 24 -3.056 -0.720 12.355 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.356 0.985 12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.325 -0.661 13.678 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.472 -1.456 12.333 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.716 -1.375 13.943 1.00 0.00 H new ATOM 395 N GLY A 25 -3.399 1.254 14.737 1.00 0.00 N ATOM 396 CA GLY A 25 -3.106 2.065 15.905 1.00 0.00 C ATOM 397 C GLY A 25 -2.488 3.405 15.502 1.00 0.00 C ATOM 398 O GLY A 25 -1.957 4.127 16.345 1.00 0.00 O ATOM 0 H GLY A 25 -2.676 0.576 14.497 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.022 2.238 16.471 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.422 1.528 16.562 1.00 0.00 H new ATOM 402 N ALA A 26 -2.579 3.698 14.213 1.00 0.00 N ATOM 403 CA ALA A 26 -2.036 4.940 13.688 1.00 0.00 C ATOM 404 C ALA A 26 -3.172 5.781 13.104 1.00 0.00 C ATOM 405 O ALA A 26 -2.993 6.968 12.831 1.00 0.00 O ATOM 406 CB ALA A 26 -0.952 4.625 12.655 1.00 0.00 C ATOM 0 H ALA A 26 -3.020 3.097 13.517 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.570 5.523 14.483 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.544 5.556 12.260 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.155 4.051 13.127 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.384 4.044 11.840 1.00 0.00 H new ATOM 412 N GLY A 27 -4.315 5.135 12.927 1.00 0.00 N ATOM 413 CA GLY A 27 -5.479 5.809 12.381 1.00 0.00 C ATOM 414 C GLY A 27 -6.772 5.187 12.911 1.00 0.00 C ATOM 415 O GLY A 27 -7.235 5.538 13.995 1.00 0.00 O ATOM 0 H GLY A 27 -4.459 4.151 13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.447 6.867 12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.462 5.748 11.293 1.00 0.00 H new ATOM 419 N LEU A 28 -7.320 4.274 12.123 1.00 0.00 N ATOM 420 CA LEU A 28 -8.551 3.601 12.500 1.00 0.00 C ATOM 421 C LEU A 28 -9.008 2.701 11.349 1.00 0.00 C ATOM 422 O LEU A 28 -8.781 3.017 10.182 1.00 0.00 O ATOM 423 CB LEU A 28 -9.605 4.618 12.941 1.00 0.00 C ATOM 424 CG LEU A 28 -9.802 5.822 12.019 1.00 0.00 C ATOM 425 CD1 LEU A 28 -11.243 5.891 11.507 1.00 0.00 C ATOM 426 CD2 LEU A 28 -9.378 7.118 12.711 1.00 0.00 C ATOM 0 H LEU A 28 -6.934 3.984 11.224 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.384 2.956 13.363 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.560 4.102 13.041 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.336 4.984 13.932 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.157 5.695 11.150 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.356 6.756 10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.475 4.983 10.950 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.925 5.983 12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.528 7.958 12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.978 7.264 13.609 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.325 7.057 12.985 1.00 0.00 H new ATOM 438 N THR A 29 -9.643 1.599 11.719 1.00 0.00 N ATOM 439 CA THR A 29 -10.135 0.652 10.732 1.00 0.00 C ATOM 440 C THR A 29 -8.995 0.195 9.819 1.00 0.00 C ATOM 441 O THR A 29 -8.506 0.968 8.996 1.00 0.00 O ATOM 442 CB THR A 29 -11.291 1.311 9.978 1.00 0.00 C ATOM 443 OG1 THR A 29 -12.392 1.215 10.878 1.00 0.00 O ATOM 444 CG2 THR A 29 -11.734 0.499 8.760 1.00 0.00 C ATOM 0 H THR A 29 -9.828 1.340 12.688 1.00 0.00 H new ATOM 0 HA THR A 29 -10.513 -0.253 11.206 1.00 0.00 H new ATOM 0 HB THR A 29 -10.994 2.310 9.660 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.185 1.621 10.469 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.557 1.011 8.261 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.898 0.395 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.063 -0.489 9.082 1.00 0.00 H new ATOM 452 N CYS A 30 -8.606 -1.059 9.993 1.00 0.00 N ATOM 453 CA CYS A 30 -7.534 -1.628 9.195 1.00 0.00 C ATOM 454 C CYS A 30 -7.944 -3.042 8.777 1.00 0.00 C ATOM 455 O CYS A 30 -8.771 -3.672 9.433 1.00 0.00 O ATOM 456 CB CYS A 30 -6.202 -1.620 9.948 1.00 0.00 C ATOM 457 SG CYS A 30 -4.823 -1.934 8.786 1.00 0.00 S ATOM 0 H CYS A 30 -9.014 -1.698 10.676 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.377 -1.018 8.305 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.060 -0.659 10.442 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.211 -2.381 10.728 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.256 -1.844 7.564 1.00 0.00 H new ATOM 463 N THR A 31 -7.346 -3.499 7.686 1.00 0.00 N ATOM 464 CA THR A 31 -7.640 -4.826 7.172 1.00 0.00 C ATOM 465 C THR A 31 -6.358 -5.501 6.678 1.00 0.00 C ATOM 466 O THR A 31 -5.286 -4.898 6.702 1.00 0.00 O ATOM 467 CB THR A 31 -8.710 -4.687 6.088 1.00 0.00 C ATOM 468 OG1 THR A 31 -9.712 -3.873 6.692 1.00 0.00 O ATOM 469 CG2 THR A 31 -9.428 -6.009 5.802 1.00 0.00 C ATOM 0 H THR A 31 -6.660 -2.974 7.144 1.00 0.00 H new ATOM 0 HA THR A 31 -8.033 -5.476 7.954 1.00 0.00 H new ATOM 0 HB THR A 31 -8.252 -4.316 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.445 -3.731 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.177 -5.855 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.704 -6.751 5.466 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.915 -6.363 6.711 1.00 0.00 H new ATOM 477 N THR A 32 -6.513 -6.743 6.242 1.00 0.00 N ATOM 478 CA THR A 32 -5.382 -7.506 5.742 1.00 0.00 C ATOM 479 C THR A 32 -5.855 -8.576 4.756 1.00 0.00 C ATOM 480 O THR A 32 -6.852 -9.254 5.000 1.00 0.00 O ATOM 481 CB THR A 32 -4.630 -8.079 6.946 1.00 0.00 C ATOM 482 OG1 THR A 32 -5.663 -8.513 7.825 1.00 0.00 O ATOM 483 CG2 THR A 32 -3.891 -7.001 7.741 1.00 0.00 C ATOM 0 H THR A 32 -7.404 -7.239 6.225 1.00 0.00 H new ATOM 0 HA THR A 32 -4.694 -6.873 5.181 1.00 0.00 H new ATOM 0 HB THR A 32 -3.918 -8.831 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.264 -8.900 8.632 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.374 -7.460 8.584 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.165 -6.507 7.096 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.607 -6.267 8.111 1.00 0.00 H new ATOM 491 N PHE A 33 -5.117 -8.694 3.663 1.00 0.00 N ATOM 492 CA PHE A 33 -5.448 -9.671 2.638 1.00 0.00 C ATOM 493 C PHE A 33 -4.277 -10.623 2.390 1.00 0.00 C ATOM 494 O PHE A 33 -3.295 -10.612 3.131 1.00 0.00 O ATOM 495 CB PHE A 33 -5.736 -8.891 1.353 1.00 0.00 C ATOM 496 CG PHE A 33 -7.136 -8.274 1.300 1.00 0.00 C ATOM 497 CD1 PHE A 33 -7.361 -7.052 1.852 1.00 0.00 C ATOM 498 CD2 PHE A 33 -8.153 -8.949 0.701 1.00 0.00 C ATOM 499 CE1 PHE A 33 -8.661 -6.480 1.803 1.00 0.00 C ATOM 500 CE2 PHE A 33 -9.452 -8.377 0.651 1.00 0.00 C ATOM 501 CZ PHE A 33 -9.678 -7.155 1.203 1.00 0.00 C ATOM 0 H PHE A 33 -4.291 -8.130 3.464 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.305 -10.266 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.996 -8.097 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.611 -9.558 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.552 -6.516 2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.973 -9.920 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.841 -5.510 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.260 -8.912 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.666 -6.720 1.165 1.00 0.00 H new ATOM 511 N GLU A 34 -4.420 -11.425 1.345 1.00 0.00 N ATOM 512 CA GLU A 34 -3.387 -12.383 0.990 1.00 0.00 C ATOM 513 C GLU A 34 -2.470 -11.800 -0.088 1.00 0.00 C ATOM 514 O GLU A 34 -1.353 -11.376 0.205 1.00 0.00 O ATOM 515 CB GLU A 34 -4.000 -13.708 0.531 1.00 0.00 C ATOM 516 CG GLU A 34 -3.788 -14.803 1.578 1.00 0.00 C ATOM 517 CD GLU A 34 -3.606 -16.169 0.914 1.00 0.00 C ATOM 518 OE1 GLU A 34 -2.585 -16.326 0.210 1.00 0.00 O ATOM 519 OE2 GLU A 34 -4.492 -17.025 1.125 1.00 0.00 O ATOM 0 H GLU A 34 -5.236 -11.431 0.733 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.788 -12.587 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.067 -13.576 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.551 -14.012 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.911 -14.569 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.642 -14.834 2.254 1.00 0.00 H new ATOM 526 N ASN A 35 -2.977 -11.799 -1.312 1.00 0.00 N ATOM 527 CA ASN A 35 -2.218 -11.276 -2.436 1.00 0.00 C ATOM 528 C ASN A 35 -2.612 -9.817 -2.677 1.00 0.00 C ATOM 529 O ASN A 35 -1.775 -8.998 -3.051 1.00 0.00 O ATOM 530 CB ASN A 35 -2.512 -12.063 -3.714 1.00 0.00 C ATOM 531 CG ASN A 35 -2.848 -13.521 -3.395 1.00 0.00 C ATOM 532 OD1 ASN A 35 -4.121 -13.724 -3.071 1.00 0.00 O flip ATOM 533 ND2 ASN A 35 -2.007 -14.403 -3.441 1.00 0.00 N flip ATOM 0 H ASN A 35 -3.904 -12.152 -1.550 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.158 -11.362 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.345 -11.602 -4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.648 -12.022 -4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.046 -14.178 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.265 -15.365 -3.223 1.00 0.00 H new ATOM 540 N GLY A 36 -3.888 -9.538 -2.452 1.00 0.00 N ATOM 541 CA GLY A 36 -4.404 -8.193 -2.640 1.00 0.00 C ATOM 542 C GLY A 36 -5.107 -8.059 -3.992 1.00 0.00 C ATOM 543 O GLY A 36 -5.421 -6.952 -4.426 1.00 0.00 O ATOM 0 H GLY A 36 -4.579 -10.221 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.102 -7.952 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.587 -7.474 -2.578 1.00 0.00 H new ATOM 547 N ASN A 37 -5.334 -9.204 -4.621 1.00 0.00 N ATOM 548 CA ASN A 37 -5.994 -9.229 -5.915 1.00 0.00 C ATOM 549 C ASN A 37 -7.386 -8.605 -5.785 1.00 0.00 C ATOM 550 O ASN A 37 -7.609 -7.480 -6.229 1.00 0.00 O ATOM 551 CB ASN A 37 -6.164 -10.663 -6.419 1.00 0.00 C ATOM 552 CG ASN A 37 -7.016 -10.700 -7.689 1.00 0.00 C ATOM 553 OD1 ASN A 37 -8.235 -10.731 -7.651 1.00 0.00 O ATOM 554 ND2 ASN A 37 -6.308 -10.696 -8.816 1.00 0.00 N ATOM 0 H ASN A 37 -5.072 -10.121 -4.258 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.377 -8.670 -6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.186 -11.100 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.632 -11.271 -5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.784 -10.720 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.289 -10.669 -8.778 1.00 0.00 H new ATOM 561 N GLU A 38 -8.284 -9.362 -5.173 1.00 0.00 N ATOM 562 CA GLU A 38 -9.647 -8.898 -4.980 1.00 0.00 C ATOM 563 C GLU A 38 -9.649 -7.449 -4.491 1.00 0.00 C ATOM 564 O GLU A 38 -10.522 -6.665 -4.863 1.00 0.00 O ATOM 565 CB GLU A 38 -10.403 -9.806 -4.006 1.00 0.00 C ATOM 566 CG GLU A 38 -9.615 -9.992 -2.708 1.00 0.00 C ATOM 567 CD GLU A 38 -10.108 -11.221 -1.940 1.00 0.00 C ATOM 568 OE1 GLU A 38 -10.497 -12.195 -2.618 1.00 0.00 O ATOM 569 OE2 GLU A 38 -10.085 -11.156 -0.692 1.00 0.00 O ATOM 0 H GLU A 38 -8.094 -10.294 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.163 -8.939 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.379 -9.375 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.581 -10.776 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.554 -10.101 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.718 -9.104 -2.085 1.00 0.00 H new ATOM 576 N VAL A 39 -8.662 -7.134 -3.665 1.00 0.00 N ATOM 577 CA VAL A 39 -8.539 -5.792 -3.122 1.00 0.00 C ATOM 578 C VAL A 39 -8.526 -4.781 -4.270 1.00 0.00 C ATOM 579 O VAL A 39 -9.113 -3.705 -4.162 1.00 0.00 O ATOM 580 CB VAL A 39 -7.299 -5.701 -2.229 1.00 0.00 C ATOM 581 CG1 VAL A 39 -6.809 -4.255 -2.120 1.00 0.00 C ATOM 582 CG2 VAL A 39 -7.575 -6.293 -0.846 1.00 0.00 C ATOM 0 H VAL A 39 -7.940 -7.786 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.395 -5.555 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.507 -6.290 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.927 -4.217 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.554 -3.881 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.596 -3.636 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.678 -6.216 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.388 -5.744 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.856 -7.341 -0.948 1.00 0.00 H new ATOM 592 N LEU A 40 -7.848 -5.162 -5.344 1.00 0.00 N ATOM 593 CA LEU A 40 -7.751 -4.302 -6.510 1.00 0.00 C ATOM 594 C LEU A 40 -9.151 -3.834 -6.913 1.00 0.00 C ATOM 595 O LEU A 40 -9.459 -2.647 -6.835 1.00 0.00 O ATOM 596 CB LEU A 40 -6.992 -5.009 -7.634 1.00 0.00 C ATOM 597 CG LEU A 40 -6.307 -4.099 -8.657 1.00 0.00 C ATOM 598 CD1 LEU A 40 -5.591 -2.938 -7.965 1.00 0.00 C ATOM 599 CD2 LEU A 40 -5.364 -4.899 -9.559 1.00 0.00 C ATOM 0 H LEU A 40 -7.361 -6.054 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.172 -3.409 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.235 -5.653 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.689 -5.658 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.075 -3.667 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.113 -2.307 -8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.314 -2.348 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.835 -3.330 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.891 -4.228 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.598 -5.378 -8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.931 -5.661 -10.094 1.00 0.00 H new ATOM 611 N ALA A 41 -9.961 -4.794 -7.336 1.00 0.00 N ATOM 612 CA ALA A 41 -11.321 -4.496 -7.751 1.00 0.00 C ATOM 613 C ALA A 41 -12.102 -3.935 -6.561 1.00 0.00 C ATOM 614 O ALA A 41 -13.195 -3.396 -6.729 1.00 0.00 O ATOM 615 CB ALA A 41 -11.967 -5.757 -8.330 1.00 0.00 C ATOM 0 H ALA A 41 -9.701 -5.778 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.325 -3.738 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.987 -5.533 -8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.392 -6.098 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.983 -6.539 -7.571 1.00 0.00 H new ATOM 621 N ALA A 42 -11.509 -4.079 -5.384 1.00 0.00 N ATOM 622 CA ALA A 42 -12.136 -3.593 -4.167 1.00 0.00 C ATOM 623 C ALA A 42 -11.539 -2.233 -3.799 1.00 0.00 C ATOM 624 O ALA A 42 -11.921 -1.634 -2.796 1.00 0.00 O ATOM 625 CB ALA A 42 -11.959 -4.628 -3.053 1.00 0.00 C ATOM 0 H ALA A 42 -10.602 -4.525 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.207 -3.454 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.429 -4.264 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.425 -5.567 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.896 -4.791 -2.874 1.00 0.00 H new ATOM 631 N LEU A 43 -10.609 -1.787 -4.631 1.00 0.00 N ATOM 632 CA LEU A 43 -9.955 -0.508 -4.406 1.00 0.00 C ATOM 633 C LEU A 43 -10.669 0.575 -5.217 1.00 0.00 C ATOM 634 O LEU A 43 -10.710 1.734 -4.809 1.00 0.00 O ATOM 635 CB LEU A 43 -8.458 -0.613 -4.703 1.00 0.00 C ATOM 636 CG LEU A 43 -7.526 -0.521 -3.493 1.00 0.00 C ATOM 637 CD1 LEU A 43 -6.059 -0.572 -3.926 1.00 0.00 C ATOM 638 CD2 LEU A 43 -7.835 0.721 -2.656 1.00 0.00 C ATOM 0 H LEU A 43 -10.293 -2.288 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.029 -0.221 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.274 -1.562 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.190 0.178 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.704 -1.389 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.418 -0.505 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.865 -1.510 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.848 0.263 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.158 0.762 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.703 1.614 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.864 0.674 -2.301 1.00 0.00 H new ATOM 650 N ALA A 44 -11.214 0.158 -6.350 1.00 0.00 N ATOM 651 CA ALA A 44 -11.924 1.079 -7.222 1.00 0.00 C ATOM 652 C ALA A 44 -13.373 1.209 -6.747 1.00 0.00 C ATOM 653 O ALA A 44 -14.200 1.815 -7.426 1.00 0.00 O ATOM 654 CB ALA A 44 -11.827 0.590 -8.669 1.00 0.00 C ATOM 0 H ALA A 44 -11.179 -0.805 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.473 2.070 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.359 1.281 -9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.780 0.542 -8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.273 -0.402 -8.749 1.00 0.00 H new ATOM 660 N SER A 45 -13.635 0.633 -5.583 1.00 0.00 N ATOM 661 CA SER A 45 -14.969 0.677 -5.010 1.00 0.00 C ATOM 662 C SER A 45 -14.945 1.448 -3.689 1.00 0.00 C ATOM 663 O SER A 45 -15.666 2.431 -3.526 1.00 0.00 O ATOM 664 CB SER A 45 -15.522 -0.733 -4.791 1.00 0.00 C ATOM 665 OG SER A 45 -15.111 -1.279 -3.541 1.00 0.00 O ATOM 0 H SER A 45 -12.946 0.133 -5.021 1.00 0.00 H new ATOM 0 HA SER A 45 -15.626 1.190 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 45 -16.611 -0.706 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.187 -1.384 -5.599 1.00 0.00 H new ATOM 0 HG SER A 45 -15.486 -2.179 -3.438 1.00 0.00 H new ATOM 671 N LYS A 46 -14.107 0.974 -2.778 1.00 0.00 N ATOM 672 CA LYS A 46 -13.980 1.607 -1.476 1.00 0.00 C ATOM 673 C LYS A 46 -12.769 2.542 -1.485 1.00 0.00 C ATOM 674 O LYS A 46 -12.920 3.757 -1.605 1.00 0.00 O ATOM 675 CB LYS A 46 -13.933 0.551 -0.369 1.00 0.00 C ATOM 676 CG LYS A 46 -14.535 1.092 0.929 1.00 0.00 C ATOM 677 CD LYS A 46 -15.980 0.618 1.102 1.00 0.00 C ATOM 678 CE LYS A 46 -16.789 1.618 1.932 1.00 0.00 C ATOM 679 NZ LYS A 46 -18.219 1.564 1.557 1.00 0.00 N ATOM 0 H LYS A 46 -13.509 0.159 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.856 2.220 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.480 -0.337 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.901 0.246 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.936 0.761 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.504 2.182 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.445 0.491 0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.991 -0.357 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.676 1.395 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.404 2.626 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.754 2.248 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.323 1.799 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.587 0.607 1.729 1.00 0.00 H new ATOM 693 N THR A 47 -11.595 1.940 -1.358 1.00 0.00 N ATOM 694 CA THR A 47 -10.359 2.704 -1.350 1.00 0.00 C ATOM 695 C THR A 47 -10.229 3.495 -0.046 1.00 0.00 C ATOM 696 O THR A 47 -10.887 4.519 0.132 1.00 0.00 O ATOM 697 CB THR A 47 -10.341 3.587 -2.599 1.00 0.00 C ATOM 698 OG1 THR A 47 -9.027 3.417 -3.124 1.00 0.00 O ATOM 699 CG2 THR A 47 -10.421 5.078 -2.265 1.00 0.00 C ATOM 0 H THR A 47 -11.474 0.932 -1.260 1.00 0.00 H new ATOM 0 HA THR A 47 -9.489 2.048 -1.385 1.00 0.00 H new ATOM 0 HB THR A 47 -11.175 3.317 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.928 3.954 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.405 5.659 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.346 5.281 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.570 5.358 -1.645 1.00 0.00 H new ATOM 707 N PRO A 48 -9.354 2.974 0.856 1.00 0.00 N ATOM 708 CA PRO A 48 -9.130 3.619 2.139 1.00 0.00 C ATOM 709 C PRO A 48 -8.271 4.875 1.977 1.00 0.00 C ATOM 710 O PRO A 48 -8.134 5.400 0.874 1.00 0.00 O ATOM 711 CB PRO A 48 -8.472 2.557 3.004 1.00 0.00 C ATOM 712 CG PRO A 48 -7.931 1.512 2.042 1.00 0.00 C ATOM 713 CD PRO A 48 -8.559 1.762 0.680 1.00 0.00 C ATOM 0 HA PRO A 48 -10.053 3.972 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.671 2.985 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.190 2.117 3.696 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.845 1.577 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.170 0.509 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.798 1.896 -0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.181 0.922 0.370 1.00 0.00 H new ATOM 721 N ASP A 49 -7.715 5.320 3.095 1.00 0.00 N ATOM 722 CA ASP A 49 -6.873 6.505 3.091 1.00 0.00 C ATOM 723 C ASP A 49 -5.464 6.122 2.636 1.00 0.00 C ATOM 724 O ASP A 49 -4.667 6.987 2.275 1.00 0.00 O ATOM 725 CB ASP A 49 -6.769 7.111 4.491 1.00 0.00 C ATOM 726 CG ASP A 49 -7.655 8.335 4.734 1.00 0.00 C ATOM 727 OD1 ASP A 49 -8.808 8.305 4.253 1.00 0.00 O ATOM 728 OD2 ASP A 49 -7.158 9.273 5.395 1.00 0.00 O ATOM 0 H ASP A 49 -7.831 4.882 4.009 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.320 7.234 2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.026 6.345 5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.731 7.390 4.673 1.00 0.00 H new ATOM 733 N VAL A 50 -5.198 4.824 2.667 1.00 0.00 N ATOM 734 CA VAL A 50 -3.898 4.316 2.262 1.00 0.00 C ATOM 735 C VAL A 50 -3.952 2.789 2.193 1.00 0.00 C ATOM 736 O VAL A 50 -4.889 2.173 2.699 1.00 0.00 O ATOM 737 CB VAL A 50 -2.815 4.834 3.210 1.00 0.00 C ATOM 738 CG1 VAL A 50 -3.205 4.594 4.671 1.00 0.00 C ATOM 739 CG2 VAL A 50 -1.459 4.200 2.894 1.00 0.00 C ATOM 0 H VAL A 50 -5.861 4.109 2.966 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.639 4.678 1.267 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.725 5.910 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.418 4.971 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.138 5.114 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.337 3.526 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.708 4.586 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.529 3.118 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.173 4.444 1.871 1.00 0.00 H new ATOM 749 N LEU A 51 -2.933 2.221 1.564 1.00 0.00 N ATOM 750 CA LEU A 51 -2.852 0.777 1.423 1.00 0.00 C ATOM 751 C LEU A 51 -1.404 0.378 1.130 1.00 0.00 C ATOM 752 O LEU A 51 -0.596 1.211 0.723 1.00 0.00 O ATOM 753 CB LEU A 51 -3.850 0.285 0.373 1.00 0.00 C ATOM 754 CG LEU A 51 -3.357 -0.833 -0.550 1.00 0.00 C ATOM 755 CD1 LEU A 51 -3.448 -2.195 0.142 1.00 0.00 C ATOM 756 CD2 LEU A 51 -4.109 -0.816 -1.883 1.00 0.00 C ATOM 0 H LEU A 51 -2.157 2.735 1.147 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.136 0.286 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.746 -0.064 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.147 1.134 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.305 -0.654 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.092 -2.972 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.833 -2.188 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.484 -2.397 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.739 -1.620 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.174 -0.957 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.949 0.142 -2.379 1.00 0.00 H new ATOM 768 N LEU A 52 -1.119 -0.898 1.350 1.00 0.00 N ATOM 769 CA LEU A 52 0.217 -1.417 1.116 1.00 0.00 C ATOM 770 C LEU A 52 0.220 -2.237 -0.176 1.00 0.00 C ATOM 771 O LEU A 52 -0.639 -2.051 -1.037 1.00 0.00 O ATOM 772 CB LEU A 52 0.711 -2.194 2.338 1.00 0.00 C ATOM 773 CG LEU A 52 2.058 -1.750 2.913 1.00 0.00 C ATOM 774 CD1 LEU A 52 2.306 -2.389 4.282 1.00 0.00 C ATOM 775 CD2 LEU A 52 3.196 -2.039 1.932 1.00 0.00 C ATOM 0 H LEU A 52 -1.791 -1.587 1.688 1.00 0.00 H new ATOM 0 HA LEU A 52 0.925 -0.600 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.041 -2.115 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.782 -3.248 2.070 1.00 0.00 H new ATOM 0 HG LEU A 52 2.027 -0.671 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.270 -2.058 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.516 -2.091 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.309 -3.474 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.142 -1.714 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.239 -3.109 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.019 -1.500 1.001 1.00 0.00 H new ATOM 787 N SER A 53 1.198 -3.126 -0.273 1.00 0.00 N ATOM 788 CA SER A 53 1.325 -3.974 -1.445 1.00 0.00 C ATOM 789 C SER A 53 2.692 -4.662 -1.447 1.00 0.00 C ATOM 790 O SER A 53 3.657 -4.134 -1.996 1.00 0.00 O ATOM 791 CB SER A 53 1.136 -3.169 -2.731 1.00 0.00 C ATOM 792 OG SER A 53 -0.052 -3.542 -3.425 1.00 0.00 O ATOM 0 H SER A 53 1.910 -3.277 0.442 1.00 0.00 H new ATOM 0 HA SER A 53 0.543 -4.732 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.097 -2.106 -2.491 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.998 -3.318 -3.382 1.00 0.00 H new ATOM 0 HG SER A 53 -0.833 -3.183 -2.954 1.00 0.00 H new HETATM 798 N PHD A 54 2.730 -5.833 -0.826 1.00 0.00 N HETATM 799 CA PHD A 54 3.963 -6.599 -0.749 1.00 0.00 C HETATM 800 C PHD A 54 3.735 -7.986 -1.355 1.00 0.00 C HETATM 801 O PHD A 54 3.007 -8.802 -0.789 1.00 0.00 O HETATM 802 CB PHD A 54 4.408 -6.784 0.703 1.00 0.00 C HETATM 803 CG PHD A 54 5.679 -7.612 0.889 1.00 0.00 C HETATM 804 OD1 PHD A 54 6.392 -7.794 -0.122 1.00 0.00 O HETATM 805 OD2 PHD A 54 5.912 -8.045 2.039 1.00 0.00 O HETATM 0 HB3 PHD A 54 4.565 -5.801 1.147 1.00 0.00 H new HETATM 0 HB2 PHD A 54 3.599 -7.259 1.257 1.00 0.00 H new HETATM 0 HA PHD A 54 4.733 -6.054 -1.294 1.00 0.00 H new ATOM 810 N ILE A 55 4.369 -8.211 -2.496 1.00 0.00 N ATOM 811 CA ILE A 55 4.244 -9.484 -3.183 1.00 0.00 C ATOM 812 C ILE A 55 5.158 -9.489 -4.410 1.00 0.00 C ATOM 813 O ILE A 55 6.234 -8.893 -4.390 1.00 0.00 O ATOM 814 CB ILE A 55 2.778 -9.777 -3.508 1.00 0.00 C ATOM 815 CG1 ILE A 55 2.517 -11.284 -3.560 1.00 0.00 C ATOM 816 CG2 ILE A 55 2.352 -9.076 -4.800 1.00 0.00 C ATOM 817 CD1 ILE A 55 2.433 -11.874 -2.152 1.00 0.00 C ATOM 0 H ILE A 55 4.971 -7.532 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 55 4.572 -10.298 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 55 2.163 -9.372 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.587 -11.478 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.314 -11.776 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.306 -9.301 -5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.476 -7.999 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.970 -9.428 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.247 -12.946 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.373 -11.700 -1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.619 -11.397 -1.606 1.00 0.00 H new ATOM 829 N ARG A 56 4.696 -10.167 -5.450 1.00 0.00 N ATOM 830 CA ARG A 56 5.459 -10.257 -6.684 1.00 0.00 C ATOM 831 C ARG A 56 4.755 -11.184 -7.677 1.00 0.00 C ATOM 832 O ARG A 56 5.405 -11.950 -8.385 1.00 0.00 O ATOM 833 CB ARG A 56 6.871 -10.782 -6.420 1.00 0.00 C ATOM 834 CG ARG A 56 6.830 -12.184 -5.810 1.00 0.00 C ATOM 835 CD ARG A 56 7.314 -12.165 -4.359 1.00 0.00 C ATOM 836 NE ARG A 56 6.709 -13.287 -3.608 1.00 0.00 N ATOM 837 CZ ARG A 56 7.096 -14.565 -3.723 1.00 0.00 C ATOM 838 NH1 ARG A 56 8.091 -14.889 -4.560 1.00 0.00 N ATOM 839 NH2 ARG A 56 6.489 -15.517 -3.002 1.00 0.00 N ATOM 0 H ARG A 56 3.803 -10.659 -5.464 1.00 0.00 H new ATOM 0 HA ARG A 56 5.529 -9.254 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.435 -10.804 -7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.395 -10.104 -5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.813 -12.573 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.454 -12.858 -6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.401 -12.241 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.047 -11.218 -3.891 1.00 0.00 H new ATOM 0 HE ARG A 56 5.949 -13.074 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.553 -14.163 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.387 -15.861 -4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.732 -15.269 -2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.784 -16.489 -3.090 1.00 0.00 H new ATOM 853 N MET A 57 3.433 -11.081 -7.698 1.00 0.00 N ATOM 854 CA MET A 57 2.634 -11.900 -8.594 1.00 0.00 C ATOM 855 C MET A 57 1.907 -11.034 -9.625 1.00 0.00 C ATOM 856 O MET A 57 1.582 -9.880 -9.355 1.00 0.00 O ATOM 857 CB MET A 57 1.609 -12.694 -7.780 1.00 0.00 C ATOM 858 CG MET A 57 0.675 -11.757 -7.011 1.00 0.00 C ATOM 859 SD MET A 57 -0.953 -12.481 -6.892 1.00 0.00 S ATOM 860 CE MET A 57 -1.886 -11.301 -7.854 1.00 0.00 C ATOM 0 H MET A 57 2.896 -10.444 -7.110 1.00 0.00 H new ATOM 0 HA MET A 57 3.298 -12.582 -9.124 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.025 -13.330 -8.445 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.125 -13.352 -7.081 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.073 -11.571 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.617 -10.793 -7.516 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.603 -10.792 -7.210 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.207 -10.569 -8.290 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.419 -11.821 -8.650 1.00 0.00 H new ATOM 870 N PRO A 58 1.667 -11.643 -10.818 1.00 0.00 N ATOM 871 CA PRO A 58 0.984 -10.941 -11.892 1.00 0.00 C ATOM 872 C PRO A 58 -0.515 -10.829 -11.607 1.00 0.00 C ATOM 873 O PRO A 58 -0.991 -11.296 -10.574 1.00 0.00 O ATOM 874 CB PRO A 58 1.293 -11.745 -13.145 1.00 0.00 C ATOM 875 CG PRO A 58 1.744 -13.114 -12.662 1.00 0.00 C ATOM 876 CD PRO A 58 2.037 -13.010 -11.174 1.00 0.00 C ATOM 0 HA PRO A 58 1.321 -9.910 -12.003 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.413 -11.827 -13.783 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.072 -11.263 -13.736 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.970 -13.858 -12.847 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.633 -13.437 -13.204 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.459 -13.738 -10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.089 -13.203 -10.963 1.00 0.00 H new ATOM 884 N GLY A 59 -1.217 -10.207 -12.543 1.00 0.00 N ATOM 885 CA GLY A 59 -2.652 -10.028 -12.407 1.00 0.00 C ATOM 886 C GLY A 59 -2.973 -8.758 -11.616 1.00 0.00 C ATOM 887 O GLY A 59 -3.948 -8.068 -11.911 1.00 0.00 O ATOM 0 H GLY A 59 -0.818 -9.821 -13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.110 -9.971 -13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.084 -10.893 -11.904 1.00 0.00 H new ATOM 891 N MET A 60 -2.134 -8.487 -10.627 1.00 0.00 N ATOM 892 CA MET A 60 -2.316 -7.313 -9.791 1.00 0.00 C ATOM 893 C MET A 60 -0.974 -6.643 -9.485 1.00 0.00 C ATOM 894 O MET A 60 -0.595 -5.676 -10.144 1.00 0.00 O ATOM 895 CB MET A 60 -2.994 -7.717 -8.481 1.00 0.00 C ATOM 896 CG MET A 60 -3.128 -6.519 -7.539 1.00 0.00 C ATOM 897 SD MET A 60 -2.932 -7.048 -5.846 1.00 0.00 S ATOM 898 CE MET A 60 -1.184 -6.758 -5.631 1.00 0.00 C ATOM 0 H MET A 60 -1.326 -9.061 -10.386 1.00 0.00 H new ATOM 0 HA MET A 60 -2.942 -6.602 -10.330 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.980 -8.131 -8.691 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.415 -8.503 -7.995 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.377 -5.768 -7.783 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.103 -6.049 -7.671 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.966 -6.620 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.624 -7.614 -6.008 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.893 -5.863 -6.181 1.00 0.00 H new ATOM 908 N ASP A 61 -0.293 -7.186 -8.488 1.00 0.00 N ATOM 909 CA ASP A 61 0.999 -6.653 -8.087 1.00 0.00 C ATOM 910 C ASP A 61 0.882 -5.142 -7.886 1.00 0.00 C ATOM 911 O ASP A 61 -0.092 -4.527 -8.318 1.00 0.00 O ATOM 912 CB ASP A 61 2.057 -6.907 -9.162 1.00 0.00 C ATOM 913 CG ASP A 61 3.311 -6.038 -9.054 1.00 0.00 C ATOM 914 OD1 ASP A 61 3.818 -5.914 -7.919 1.00 0.00 O ATOM 915 OD2 ASP A 61 3.734 -5.518 -10.108 1.00 0.00 O ATOM 0 H ASP A 61 -0.610 -7.989 -7.945 1.00 0.00 H new ATOM 0 HA ASP A 61 1.297 -7.150 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.354 -7.955 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.605 -6.746 -10.141 1.00 0.00 H new ATOM 920 N GLY A 62 1.889 -4.585 -7.229 1.00 0.00 N ATOM 921 CA GLY A 62 1.912 -3.156 -6.965 1.00 0.00 C ATOM 922 C GLY A 62 2.030 -2.360 -8.266 1.00 0.00 C ATOM 923 O GLY A 62 1.025 -2.066 -8.912 1.00 0.00 O ATOM 0 H GLY A 62 2.695 -5.098 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.003 -2.865 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.750 -2.917 -6.311 1.00 0.00 H new ATOM 927 N LEU A 63 3.266 -2.034 -8.613 1.00 0.00 N ATOM 928 CA LEU A 63 3.528 -1.278 -9.826 1.00 0.00 C ATOM 929 C LEU A 63 2.941 -2.025 -11.025 1.00 0.00 C ATOM 930 O LEU A 63 2.278 -1.426 -11.870 1.00 0.00 O ATOM 931 CB LEU A 63 5.023 -0.980 -9.959 1.00 0.00 C ATOM 932 CG LEU A 63 5.555 -0.845 -11.387 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.893 -2.215 -11.978 1.00 0.00 C ATOM 934 CD2 LEU A 63 4.574 -0.068 -12.267 1.00 0.00 C ATOM 0 H LEU A 63 4.097 -2.279 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 63 3.035 -0.307 -9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.238 -0.055 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.578 -1.774 -9.459 1.00 0.00 H new ATOM 0 HG LEU A 63 6.481 -0.271 -11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.269 -2.090 -12.994 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.655 -2.698 -11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.996 -2.835 -11.996 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.977 0.013 -13.277 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.619 -0.593 -12.298 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.426 0.930 -11.854 1.00 0.00 H new ATOM 946 N ALA A 64 3.205 -3.323 -11.060 1.00 0.00 N ATOM 947 CA ALA A 64 2.710 -4.158 -12.142 1.00 0.00 C ATOM 948 C ALA A 64 2.693 -3.347 -13.439 1.00 0.00 C ATOM 949 O ALA A 64 3.618 -2.584 -13.711 1.00 0.00 O ATOM 950 CB ALA A 64 1.328 -4.702 -11.775 1.00 0.00 C ATOM 0 H ALA A 64 3.755 -3.817 -10.357 1.00 0.00 H new ATOM 0 HA ALA A 64 3.366 -5.014 -12.298 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.956 -5.328 -12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.401 -5.295 -10.863 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.641 -3.871 -11.614 1.00 0.00 H new ATOM 956 N LEU A 65 1.630 -3.542 -14.206 1.00 0.00 N ATOM 957 CA LEU A 65 1.480 -2.837 -15.468 1.00 0.00 C ATOM 958 C LEU A 65 1.804 -1.356 -15.264 1.00 0.00 C ATOM 959 O LEU A 65 2.952 -0.943 -15.406 1.00 0.00 O ATOM 960 CB LEU A 65 0.091 -3.088 -16.060 1.00 0.00 C ATOM 961 CG LEU A 65 0.024 -4.090 -17.213 1.00 0.00 C ATOM 962 CD1 LEU A 65 0.807 -3.585 -18.427 1.00 0.00 C ATOM 963 CD2 LEU A 65 0.495 -5.476 -16.764 1.00 0.00 C ATOM 0 H LEU A 65 0.865 -4.177 -13.978 1.00 0.00 H new ATOM 0 HA LEU A 65 2.188 -3.219 -16.203 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.564 -3.438 -15.262 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.311 -2.137 -16.408 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.018 -4.187 -17.520 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.742 -4.317 -19.232 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.386 -2.638 -18.763 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.852 -3.440 -18.152 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.437 -6.169 -17.603 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.526 -5.414 -16.414 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.142 -5.832 -15.954 1.00 0.00 H new ATOM 975 N LEU A 66 0.769 -0.599 -14.931 1.00 0.00 N ATOM 976 CA LEU A 66 0.928 0.829 -14.705 1.00 0.00 C ATOM 977 C LEU A 66 -0.406 1.532 -14.959 1.00 0.00 C ATOM 978 O LEU A 66 -0.658 2.607 -14.415 1.00 0.00 O ATOM 979 CB LEU A 66 2.083 1.378 -15.545 1.00 0.00 C ATOM 980 CG LEU A 66 2.004 2.864 -15.903 1.00 0.00 C ATOM 981 CD1 LEU A 66 3.391 3.509 -15.870 1.00 0.00 C ATOM 982 CD2 LEU A 66 1.310 3.068 -17.250 1.00 0.00 C ATOM 0 H LEU A 66 -0.183 -0.946 -14.812 1.00 0.00 H new ATOM 0 HA LEU A 66 1.198 1.024 -13.667 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.014 1.203 -15.005 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.138 0.804 -16.470 1.00 0.00 H new ATOM 0 HG LEU A 66 1.396 3.365 -15.149 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.308 4.565 -16.128 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.814 3.412 -14.870 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.041 3.010 -16.589 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.267 4.133 -17.480 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.869 2.551 -18.029 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.298 2.666 -17.202 1.00 0.00 H new ATOM 994 N LYS A 67 -1.226 0.899 -15.785 1.00 0.00 N ATOM 995 CA LYS A 67 -2.528 1.451 -16.117 1.00 0.00 C ATOM 996 C LYS A 67 -3.511 1.145 -14.985 1.00 0.00 C ATOM 997 O LYS A 67 -3.892 2.038 -14.230 1.00 0.00 O ATOM 998 CB LYS A 67 -2.990 0.949 -17.486 1.00 0.00 C ATOM 999 CG LYS A 67 -3.085 2.100 -18.489 1.00 0.00 C ATOM 1000 CD LYS A 67 -3.369 1.577 -19.898 1.00 0.00 C ATOM 1001 CE LYS A 67 -3.780 2.716 -20.834 1.00 0.00 C ATOM 1002 NZ LYS A 67 -5.031 2.375 -21.548 1.00 0.00 N ATOM 0 H LYS A 67 -1.014 0.008 -16.234 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.470 2.536 -16.205 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.293 0.197 -17.855 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.962 0.464 -17.391 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.875 2.787 -18.186 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.153 2.666 -18.488 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.482 1.081 -20.291 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.161 0.830 -19.859 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.920 3.633 -20.261 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.984 2.908 -21.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.295 3.159 -22.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.886 1.512 -22.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.792 2.214 -20.858 1.00 0.00 H new ATOM 1016 N GLN A 68 -3.893 -0.121 -14.902 1.00 0.00 N ATOM 1017 CA GLN A 68 -4.824 -0.556 -13.876 1.00 0.00 C ATOM 1018 C GLN A 68 -4.500 0.121 -12.543 1.00 0.00 C ATOM 1019 O GLN A 68 -5.402 0.511 -11.805 1.00 0.00 O ATOM 1020 CB GLN A 68 -4.811 -2.080 -13.734 1.00 0.00 C ATOM 1021 CG GLN A 68 -5.360 -2.508 -12.372 1.00 0.00 C ATOM 1022 CD GLN A 68 -4.258 -3.123 -11.506 1.00 0.00 C ATOM 1023 OE1 GLN A 68 -3.760 -2.291 -10.594 1.00 0.00 O flip ATOM 1024 NE2 GLN A 68 -3.884 -4.274 -11.656 1.00 0.00 N flip ATOM 0 H GLN A 68 -3.574 -0.859 -15.529 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.829 -0.260 -14.177 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.408 -2.528 -14.528 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.793 -2.451 -13.853 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.790 -1.646 -11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.164 -3.230 -12.511 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.309 -4.859 -12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.146 -4.652 -11.062 1.00 0.00 H new ATOM 1033 N ILE A 69 -3.207 0.240 -12.275 1.00 0.00 N ATOM 1034 CA ILE A 69 -2.753 0.863 -11.044 1.00 0.00 C ATOM 1035 C ILE A 69 -3.352 2.266 -10.936 1.00 0.00 C ATOM 1036 O ILE A 69 -3.744 2.696 -9.852 1.00 0.00 O ATOM 1037 CB ILE A 69 -1.225 0.839 -10.965 1.00 0.00 C ATOM 1038 CG1 ILE A 69 -0.735 -0.383 -10.185 1.00 0.00 C ATOM 1039 CG2 ILE A 69 -0.686 2.146 -10.380 1.00 0.00 C ATOM 1040 CD1 ILE A 69 -0.740 -1.633 -11.067 1.00 0.00 C ATOM 0 H ILE A 69 -2.460 -0.085 -12.890 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.104 0.299 -10.179 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.832 0.753 -11.978 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.273 -0.201 -9.812 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.373 -0.544 -9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.402 2.103 -10.335 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.990 2.980 -11.012 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.086 2.287 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.388 -2.487 -10.489 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.753 -1.826 -11.419 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.082 -1.477 -11.922 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.405 2.942 -12.075 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.951 4.287 -12.121 1.00 0.00 C ATOM 1054 C LYS A 70 -5.337 4.294 -11.474 1.00 0.00 C ATOM 1055 O LYS A 70 -5.461 4.474 -10.263 1.00 0.00 O ATOM 1056 CB LYS A 70 -3.940 4.820 -13.555 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.507 5.010 -14.058 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.125 6.492 -14.081 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.810 6.956 -15.504 1.00 0.00 C ATOM 1060 NZ LYS A 70 -2.385 8.296 -15.751 1.00 0.00 N ATOM 0 H LYS A 70 -3.079 2.583 -12.972 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.327 4.971 -11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.470 4.127 -14.209 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.473 5.770 -13.598 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.817 4.463 -13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.411 4.591 -15.059 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.941 7.088 -13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.259 6.658 -13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.731 6.984 -15.653 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.213 6.243 -16.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.162 8.596 -16.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.417 8.259 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.981 8.977 -15.077 1.00 0.00 H new ATOM 1074 N GLN A 71 -6.346 4.095 -12.309 1.00 0.00 N ATOM 1075 CA GLN A 71 -7.719 4.075 -11.833 1.00 0.00 C ATOM 1076 C GLN A 71 -7.785 3.476 -10.427 1.00 0.00 C ATOM 1077 O GLN A 71 -8.207 4.143 -9.483 1.00 0.00 O ATOM 1078 CB GLN A 71 -8.624 3.307 -12.799 1.00 0.00 C ATOM 1079 CG GLN A 71 -7.964 2.001 -13.247 1.00 0.00 C ATOM 1080 CD GLN A 71 -8.414 1.615 -14.657 1.00 0.00 C ATOM 1081 OE1 GLN A 71 -9.009 0.574 -14.884 1.00 0.00 O ATOM 1082 NE2 GLN A 71 -8.096 2.508 -15.590 1.00 0.00 N ATOM 0 H GLN A 71 -6.240 3.946 -13.313 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.081 5.102 -11.787 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.577 3.090 -12.316 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.841 3.926 -13.669 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.880 2.111 -13.225 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.218 1.203 -12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.597 3.359 -15.332 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.351 2.341 -16.563 1.00 0.00 H new ATOM 1091 N ARG A 72 -7.362 2.224 -10.331 1.00 0.00 N ATOM 1092 CA ARG A 72 -7.367 1.528 -9.056 1.00 0.00 C ATOM 1093 C ARG A 72 -6.898 2.463 -7.939 1.00 0.00 C ATOM 1094 O ARG A 72 -7.524 2.535 -6.881 1.00 0.00 O ATOM 1095 CB ARG A 72 -6.459 0.298 -9.096 1.00 0.00 C ATOM 1096 CG ARG A 72 -7.061 -0.800 -9.977 1.00 0.00 C ATOM 1097 CD ARG A 72 -8.446 -1.210 -9.472 1.00 0.00 C ATOM 1098 NE ARG A 72 -9.478 -0.839 -10.466 1.00 0.00 N ATOM 1099 CZ ARG A 72 -9.745 -1.549 -11.571 1.00 0.00 C ATOM 1100 NH1 ARG A 72 -9.058 -2.670 -11.830 1.00 0.00 N ATOM 1101 NH2 ARG A 72 -10.699 -1.137 -12.417 1.00 0.00 N ATOM 0 H ARG A 72 -7.013 1.674 -11.116 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.389 1.205 -8.859 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.477 0.578 -9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.311 -0.082 -8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.135 -0.446 -11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.401 -1.668 -9.985 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.473 -2.285 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.654 -0.722 -8.520 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.019 0.009 -10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.332 -2.983 -11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.262 -3.210 -12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.222 -0.283 -12.220 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.903 -1.677 -13.258 1.00 0.00 H new ATOM 1115 N HIS A 73 -5.801 3.154 -8.211 1.00 0.00 N ATOM 1116 CA HIS A 73 -5.242 4.082 -7.242 1.00 0.00 C ATOM 1117 C HIS A 73 -4.223 4.991 -7.931 1.00 0.00 C ATOM 1118 O HIS A 73 -3.023 4.724 -7.896 1.00 0.00 O ATOM 1119 CB HIS A 73 -4.652 3.329 -6.048 1.00 0.00 C ATOM 1120 CG HIS A 73 -3.614 2.298 -6.423 1.00 0.00 C ATOM 1121 ND1 HIS A 73 -2.255 2.561 -6.402 1.00 0.00 N ATOM 1122 CD2 HIS A 73 -3.749 1.003 -6.827 1.00 0.00 C ATOM 1123 CE1 HIS A 73 -1.612 1.466 -6.780 1.00 0.00 C ATOM 1124 NE2 HIS A 73 -2.539 0.502 -7.044 1.00 0.00 N ATOM 0 H HIS A 73 -5.284 3.090 -9.088 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.033 4.717 -6.843 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.203 4.049 -5.364 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.460 2.836 -5.507 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.683 0.474 -6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.541 1.356 -6.864 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.336 -0.448 -7.357 1.00 0.00 H new ATOM 1132 N PRO A 74 -4.752 6.076 -8.558 1.00 0.00 N ATOM 1133 CA PRO A 74 -3.903 7.027 -9.254 1.00 0.00 C ATOM 1134 C PRO A 74 -3.154 7.921 -8.263 1.00 0.00 C ATOM 1135 O PRO A 74 -1.941 8.092 -8.371 1.00 0.00 O ATOM 1136 CB PRO A 74 -4.842 7.803 -10.161 1.00 0.00 C ATOM 1137 CG PRO A 74 -6.239 7.580 -9.604 1.00 0.00 C ATOM 1138 CD PRO A 74 -6.169 6.425 -8.619 1.00 0.00 C ATOM 0 HA PRO A 74 -3.119 6.543 -9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.589 8.863 -10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.771 7.451 -11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.601 8.482 -9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.939 7.354 -10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.548 6.716 -7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.771 5.581 -8.955 1.00 0.00 H new ATOM 1146 N MET A 75 -3.909 8.468 -7.321 1.00 0.00 N ATOM 1147 CA MET A 75 -3.332 9.340 -6.313 1.00 0.00 C ATOM 1148 C MET A 75 -3.297 8.651 -4.947 1.00 0.00 C ATOM 1149 O MET A 75 -2.455 8.969 -4.109 1.00 0.00 O ATOM 1150 CB MET A 75 -4.157 10.625 -6.216 1.00 0.00 C ATOM 1151 CG MET A 75 -3.370 11.824 -6.747 1.00 0.00 C ATOM 1152 SD MET A 75 -3.072 12.991 -5.430 1.00 0.00 S ATOM 1153 CE MET A 75 -3.166 14.521 -6.344 1.00 0.00 C ATOM 0 H MET A 75 -4.915 8.324 -7.235 1.00 0.00 H new ATOM 0 HA MET A 75 -2.309 9.576 -6.606 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.081 10.512 -6.783 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.440 10.802 -5.178 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.422 11.489 -7.169 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.925 12.306 -7.552 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.001 15.360 -5.667 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.403 14.527 -7.122 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.151 14.612 -6.801 1.00 0.00 H new ATOM 1163 N LEU A 76 -4.223 7.720 -4.766 1.00 0.00 N ATOM 1164 CA LEU A 76 -4.309 6.984 -3.516 1.00 0.00 C ATOM 1165 C LEU A 76 -2.962 6.318 -3.228 1.00 0.00 C ATOM 1166 O LEU A 76 -2.337 5.758 -4.126 1.00 0.00 O ATOM 1167 CB LEU A 76 -5.483 6.004 -3.551 1.00 0.00 C ATOM 1168 CG LEU A 76 -5.566 5.014 -2.387 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -6.627 5.448 -1.374 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -5.808 3.591 -2.894 1.00 0.00 C ATOM 0 H LEU A 76 -4.920 7.459 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.514 7.663 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.409 6.578 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.430 5.437 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.606 5.013 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.666 4.728 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.372 6.431 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.600 5.494 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.863 2.907 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.745 3.557 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.988 3.293 -3.548 1.00 0.00 H new ATOM 1182 N PRO A 77 -2.542 6.404 -1.937 1.00 0.00 N ATOM 1183 CA PRO A 77 -1.282 5.818 -1.518 1.00 0.00 C ATOM 1184 C PRO A 77 -1.391 4.295 -1.417 1.00 0.00 C ATOM 1185 O PRO A 77 -2.246 3.778 -0.698 1.00 0.00 O ATOM 1186 CB PRO A 77 -0.962 6.480 -0.188 1.00 0.00 C ATOM 1187 CG PRO A 77 -2.272 7.063 0.313 1.00 0.00 C ATOM 1188 CD PRO A 77 -3.256 7.061 -0.844 1.00 0.00 C ATOM 0 HA PRO A 77 -0.480 5.990 -2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.560 5.757 0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.209 7.259 -0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.659 6.473 1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.121 8.077 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.168 6.523 -0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.550 8.075 -1.116 1.00 0.00 H new ATOM 1196 N VAL A 78 -0.516 3.620 -2.148 1.00 0.00 N ATOM 1197 CA VAL A 78 -0.505 2.167 -2.149 1.00 0.00 C ATOM 1198 C VAL A 78 0.904 1.672 -1.813 1.00 0.00 C ATOM 1199 O VAL A 78 1.174 0.474 -1.868 1.00 0.00 O ATOM 1200 CB VAL A 78 -1.020 1.641 -3.490 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -0.806 0.131 -3.604 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -2.491 2.005 -3.693 1.00 0.00 C ATOM 0 H VAL A 78 0.190 4.052 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.177 1.779 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.445 2.121 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.181 -0.218 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.258 -0.093 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.343 -0.374 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.832 1.619 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.088 1.567 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.603 3.089 -3.677 1.00 0.00 H new ATOM 1212 N ILE A 79 1.765 2.621 -1.473 1.00 0.00 N ATOM 1213 CA ILE A 79 3.139 2.296 -1.128 1.00 0.00 C ATOM 1214 C ILE A 79 3.614 1.128 -1.994 1.00 0.00 C ATOM 1215 O ILE A 79 3.193 0.990 -3.142 1.00 0.00 O ATOM 1216 CB ILE A 79 3.267 2.040 0.374 1.00 0.00 C ATOM 1217 CG1 ILE A 79 4.679 2.366 0.867 1.00 0.00 C ATOM 1218 CG2 ILE A 79 2.854 0.610 0.725 1.00 0.00 C ATOM 1219 CD1 ILE A 79 4.901 1.835 2.284 1.00 0.00 C ATOM 0 H ILE A 79 1.538 3.614 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 79 3.796 3.139 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 79 2.581 2.709 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.414 1.928 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.834 3.445 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.955 0.455 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.817 0.448 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.495 -0.094 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.912 2.080 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.180 2.293 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.769 0.753 2.292 1.00 0.00 H new ATOM 1231 N ILE A 80 4.486 0.317 -1.411 1.00 0.00 N ATOM 1232 CA ILE A 80 5.023 -0.834 -2.116 1.00 0.00 C ATOM 1233 C ILE A 80 5.871 -1.666 -1.151 1.00 0.00 C ATOM 1234 O ILE A 80 6.095 -1.264 -0.011 1.00 0.00 O ATOM 1235 CB ILE A 80 5.777 -0.391 -3.371 1.00 0.00 C ATOM 1236 CG1 ILE A 80 5.591 -1.399 -4.507 1.00 0.00 C ATOM 1237 CG2 ILE A 80 7.254 -0.139 -3.063 1.00 0.00 C ATOM 1238 CD1 ILE A 80 4.107 -1.630 -4.797 1.00 0.00 C ATOM 0 H ILE A 80 4.833 0.435 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 80 4.215 -1.476 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 80 5.353 0.555 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.089 -1.035 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.065 -2.344 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.767 0.175 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.340 0.644 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.709 -1.056 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.003 -2.350 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.617 -2.017 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.642 -0.688 -5.086 1.00 0.00 H new ATOM 1250 N MET A 81 6.318 -2.811 -1.645 1.00 0.00 N ATOM 1251 CA MET A 81 7.135 -3.704 -0.840 1.00 0.00 C ATOM 1252 C MET A 81 7.902 -4.691 -1.724 1.00 0.00 C ATOM 1253 O MET A 81 7.298 -5.466 -2.464 1.00 0.00 O ATOM 1254 CB MET A 81 6.243 -4.477 0.132 1.00 0.00 C ATOM 1255 CG MET A 81 6.314 -3.876 1.537 1.00 0.00 C ATOM 1256 SD MET A 81 6.558 -5.169 2.743 1.00 0.00 S ATOM 1257 CE MET A 81 4.930 -5.223 3.474 1.00 0.00 C ATOM 0 H MET A 81 6.130 -3.141 -2.592 1.00 0.00 H new ATOM 0 HA MET A 81 7.856 -3.104 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.213 -4.461 -0.223 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.553 -5.522 0.163 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.131 -3.157 1.593 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.395 -3.332 1.756 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.020 -5.304 4.557 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.388 -4.311 3.222 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.387 -6.086 3.089 1.00 0.00 H new ATOM 1267 N THR A 82 9.221 -4.628 -1.618 1.00 0.00 N ATOM 1268 CA THR A 82 10.078 -5.506 -2.398 1.00 0.00 C ATOM 1269 C THR A 82 11.504 -4.956 -2.446 1.00 0.00 C ATOM 1270 O THR A 82 11.728 -3.841 -2.917 1.00 0.00 O ATOM 1271 CB THR A 82 9.445 -5.677 -3.781 1.00 0.00 C ATOM 1272 OG1 THR A 82 10.555 -5.894 -4.646 1.00 0.00 O ATOM 1273 CG2 THR A 82 8.815 -4.382 -4.300 1.00 0.00 C ATOM 0 H THR A 82 9.718 -3.983 -1.004 1.00 0.00 H new ATOM 0 HA THR A 82 10.159 -6.491 -1.937 1.00 0.00 H new ATOM 0 HB THR A 82 8.686 -6.459 -3.739 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.235 -6.016 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.380 -4.558 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.035 -4.055 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.580 -3.609 -4.374 1.00 0.00 H new ATOM 1281 N ALA A 83 12.432 -5.762 -1.953 1.00 0.00 N ATOM 1282 CA ALA A 83 13.831 -5.369 -1.934 1.00 0.00 C ATOM 1283 C ALA A 83 14.463 -5.684 -3.291 1.00 0.00 C ATOM 1284 O ALA A 83 13.814 -5.551 -4.328 1.00 0.00 O ATOM 1285 CB ALA A 83 14.545 -6.078 -0.781 1.00 0.00 C ATOM 0 H ALA A 83 12.243 -6.686 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 83 13.926 -4.296 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.594 -5.783 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.077 -5.799 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.473 -7.157 -0.917 1.00 0.00 H new ATOM 1291 N HIS A 84 15.722 -6.095 -3.241 1.00 0.00 N ATOM 1292 CA HIS A 84 16.449 -6.429 -4.454 1.00 0.00 C ATOM 1293 C HIS A 84 16.220 -5.341 -5.506 1.00 0.00 C ATOM 1294 O HIS A 84 15.891 -4.205 -5.168 1.00 0.00 O ATOM 1295 CB HIS A 84 16.064 -7.824 -4.951 1.00 0.00 C ATOM 1296 CG HIS A 84 15.961 -8.859 -3.857 1.00 0.00 C ATOM 1297 ND1 HIS A 84 15.203 -10.011 -3.983 1.00 0.00 N ATOM 1298 CD2 HIS A 84 16.527 -8.905 -2.617 1.00 0.00 C ATOM 1299 CE1 HIS A 84 15.316 -10.710 -2.862 1.00 0.00 C ATOM 1300 NE2 HIS A 84 16.136 -10.022 -2.017 1.00 0.00 N ATOM 0 H HIS A 84 16.257 -6.204 -2.379 1.00 0.00 H new ATOM 0 HA HIS A 84 17.518 -6.463 -4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 84 15.107 -7.762 -5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 84 16.802 -8.155 -5.682 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.183 -8.158 -2.195 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.842 -11.658 -2.654 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.405 -10.317 -1.078 1.00 0.00 H new ATOM 1308 N SER A 85 16.404 -5.727 -6.760 1.00 0.00 N ATOM 1309 CA SER A 85 16.222 -4.800 -7.863 1.00 0.00 C ATOM 1310 C SER A 85 14.765 -4.335 -7.922 1.00 0.00 C ATOM 1311 O SER A 85 13.865 -5.049 -7.483 1.00 0.00 O ATOM 1312 CB SER A 85 16.630 -5.437 -9.192 1.00 0.00 C ATOM 1313 OG SER A 85 15.797 -6.542 -9.532 1.00 0.00 O ATOM 0 H SER A 85 16.677 -6.670 -7.036 1.00 0.00 H new ATOM 0 HA SER A 85 16.865 -3.937 -7.693 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.581 -4.689 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.666 -5.769 -9.132 1.00 0.00 H new ATOM 0 HG SER A 85 16.089 -6.920 -10.388 1.00 0.00 H new ATOM 1319 N ASP A 86 14.580 -3.142 -8.467 1.00 0.00 N ATOM 1320 CA ASP A 86 13.248 -2.575 -8.589 1.00 0.00 C ATOM 1321 C ASP A 86 13.345 -1.191 -9.236 1.00 0.00 C ATOM 1322 O ASP A 86 12.874 -0.204 -8.674 1.00 0.00 O ATOM 1323 CB ASP A 86 12.592 -2.408 -7.216 1.00 0.00 C ATOM 1324 CG ASP A 86 13.344 -1.494 -6.246 1.00 0.00 C ATOM 1325 OD1 ASP A 86 13.187 -0.264 -6.276 1.00 0.00 O ATOM 1326 OD2 ASP A 86 14.130 -2.102 -5.423 1.00 0.00 O ATOM 0 H ASP A 86 15.330 -2.553 -8.829 1.00 0.00 H new ATOM 0 HA ASP A 86 12.648 -3.253 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.586 -2.014 -7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.488 -3.392 -6.758 1.00 0.00 H new ATOM 1332 N LEU A 87 13.960 -1.165 -10.410 1.00 0.00 N ATOM 1333 CA LEU A 87 14.125 0.081 -11.140 1.00 0.00 C ATOM 1334 C LEU A 87 12.759 0.562 -11.634 1.00 0.00 C ATOM 1335 O LEU A 87 12.609 1.718 -12.026 1.00 0.00 O ATOM 1336 CB LEU A 87 15.158 -0.085 -12.256 1.00 0.00 C ATOM 1337 CG LEU A 87 16.426 -0.857 -11.886 1.00 0.00 C ATOM 1338 CD1 LEU A 87 16.875 -1.758 -13.037 1.00 0.00 C ATOM 1339 CD2 LEU A 87 17.537 0.096 -11.437 1.00 0.00 C ATOM 0 H LEU A 87 14.350 -1.986 -10.873 1.00 0.00 H new ATOM 0 HA LEU A 87 14.519 0.857 -10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.680 -0.591 -13.094 1.00 0.00 H new ATOM 0 HB3 LEU A 87 15.448 0.906 -12.606 1.00 0.00 H new ATOM 0 HG LEU A 87 16.196 -1.505 -11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.778 -2.295 -12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.086 -2.473 -13.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.082 -1.149 -13.917 1.00 0.00 H new ATOM 0 HD21 LEU A 87 18.427 -0.478 -11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.772 0.787 -12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.204 0.658 -10.565 1.00 0.00 H new ATOM 1351 N ASP A 88 11.797 -0.350 -11.598 1.00 0.00 N ATOM 1352 CA ASP A 88 10.449 -0.032 -12.037 1.00 0.00 C ATOM 1353 C ASP A 88 9.679 0.613 -10.883 1.00 0.00 C ATOM 1354 O ASP A 88 8.888 1.530 -11.095 1.00 0.00 O ATOM 1355 CB ASP A 88 9.696 -1.295 -12.460 1.00 0.00 C ATOM 1356 CG ASP A 88 10.154 -1.907 -13.786 1.00 0.00 C ATOM 1357 OD1 ASP A 88 11.300 -1.609 -14.182 1.00 0.00 O ATOM 1358 OD2 ASP A 88 9.347 -2.661 -14.372 1.00 0.00 O ATOM 0 H ASP A 88 11.925 -1.308 -11.272 1.00 0.00 H new ATOM 0 HA ASP A 88 10.523 0.647 -12.887 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.803 -2.044 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.634 -1.060 -12.533 1.00 0.00 H new ATOM 1363 N ALA A 89 9.939 0.107 -9.685 1.00 0.00 N ATOM 1364 CA ALA A 89 9.281 0.624 -8.497 1.00 0.00 C ATOM 1365 C ALA A 89 10.004 1.886 -8.026 1.00 0.00 C ATOM 1366 O ALA A 89 9.493 2.621 -7.182 1.00 0.00 O ATOM 1367 CB ALA A 89 9.247 -0.464 -7.421 1.00 0.00 C ATOM 0 H ALA A 89 10.595 -0.654 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 89 8.250 0.899 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.754 -0.078 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.697 -1.328 -7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.266 -0.762 -7.172 1.00 0.00 H new ATOM 1373 N ALA A 90 11.183 2.102 -8.593 1.00 0.00 N ATOM 1374 CA ALA A 90 11.981 3.264 -8.242 1.00 0.00 C ATOM 1375 C ALA A 90 11.596 4.435 -9.149 1.00 0.00 C ATOM 1376 O ALA A 90 12.229 5.489 -9.110 1.00 0.00 O ATOM 1377 CB ALA A 90 13.466 2.911 -8.342 1.00 0.00 C ATOM 0 H ALA A 90 11.604 1.491 -9.293 1.00 0.00 H new ATOM 0 HA ALA A 90 11.787 3.568 -7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.066 3.782 -8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.693 2.094 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.699 2.605 -9.362 1.00 0.00 H new ATOM 1383 N VAL A 91 10.561 4.209 -9.946 1.00 0.00 N ATOM 1384 CA VAL A 91 10.086 5.232 -10.862 1.00 0.00 C ATOM 1385 C VAL A 91 8.556 5.260 -10.837 1.00 0.00 C ATOM 1386 O VAL A 91 7.956 6.280 -10.501 1.00 0.00 O ATOM 1387 CB VAL A 91 10.656 4.989 -12.260 1.00 0.00 C ATOM 1388 CG1 VAL A 91 12.142 5.349 -12.315 1.00 0.00 C ATOM 1389 CG2 VAL A 91 10.425 3.543 -12.703 1.00 0.00 C ATOM 0 H VAL A 91 10.039 3.333 -9.976 1.00 0.00 H new ATOM 0 HA VAL A 91 10.436 6.216 -10.550 1.00 0.00 H new ATOM 0 HB VAL A 91 10.127 5.640 -12.956 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.523 5.167 -13.320 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.271 6.402 -12.063 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.692 4.735 -11.602 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.840 3.397 -13.700 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.915 2.866 -12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.355 3.334 -12.721 1.00 0.00 H new ATOM 1399 N SER A 92 7.968 4.129 -11.197 1.00 0.00 N ATOM 1400 CA SER A 92 6.521 4.011 -11.220 1.00 0.00 C ATOM 1401 C SER A 92 5.962 4.147 -9.802 1.00 0.00 C ATOM 1402 O SER A 92 4.807 4.528 -9.620 1.00 0.00 O ATOM 1403 CB SER A 92 6.086 2.681 -11.837 1.00 0.00 C ATOM 1404 OG SER A 92 5.221 2.868 -12.955 1.00 0.00 O ATOM 0 H SER A 92 8.469 3.285 -11.475 1.00 0.00 H new ATOM 0 HA SER A 92 6.123 4.815 -11.839 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.967 2.121 -12.150 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.578 2.080 -11.082 1.00 0.00 H new ATOM 0 HG SER A 92 5.451 2.225 -13.658 1.00 0.00 H new ATOM 1410 N ALA A 93 6.807 3.825 -8.834 1.00 0.00 N ATOM 1411 CA ALA A 93 6.413 3.906 -7.439 1.00 0.00 C ATOM 1412 C ALA A 93 6.901 5.231 -6.851 1.00 0.00 C ATOM 1413 O ALA A 93 6.997 5.377 -5.632 1.00 0.00 O ATOM 1414 CB ALA A 93 6.962 2.695 -6.681 1.00 0.00 C ATOM 0 H ALA A 93 7.764 3.507 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 93 5.327 3.884 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.666 2.756 -5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.562 1.780 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.050 2.685 -6.750 1.00 0.00 H new ATOM 1420 N TYR A 94 7.197 6.164 -7.743 1.00 0.00 N ATOM 1421 CA TYR A 94 7.673 7.473 -7.328 1.00 0.00 C ATOM 1422 C TYR A 94 6.780 8.584 -7.886 1.00 0.00 C ATOM 1423 O TYR A 94 7.005 9.762 -7.612 1.00 0.00 O ATOM 1424 CB TYR A 94 9.077 7.619 -7.918 1.00 0.00 C ATOM 1425 CG TYR A 94 10.190 7.074 -7.021 1.00 0.00 C ATOM 1426 CD1 TYR A 94 10.133 5.773 -6.564 1.00 0.00 C ATOM 1427 CD2 TYR A 94 11.250 7.883 -6.668 1.00 0.00 C ATOM 1428 CE1 TYR A 94 11.180 5.261 -5.719 1.00 0.00 C ATOM 1429 CE2 TYR A 94 12.297 7.371 -5.824 1.00 0.00 C ATOM 1430 CZ TYR A 94 12.210 6.085 -5.390 1.00 0.00 C ATOM 1431 OH TYR A 94 13.200 5.600 -4.592 1.00 0.00 O ATOM 0 H TYR A 94 7.117 6.040 -8.752 1.00 0.00 H new ATOM 0 HA TYR A 94 7.666 7.556 -6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 94 9.112 7.102 -8.877 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.268 8.674 -8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 94 9.303 5.139 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 94 11.294 8.901 -7.025 1.00 0.00 H new ATOM 0 HE1 TYR A 94 11.148 4.245 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 94 13.133 7.994 -5.542 1.00 0.00 H new ATOM 0 HH TYR A 94 13.870 6.299 -4.441 1.00 0.00 H new ATOM 1441 N GLN A 95 5.786 8.168 -8.657 1.00 0.00 N ATOM 1442 CA GLN A 95 4.859 9.114 -9.256 1.00 0.00 C ATOM 1443 C GLN A 95 3.800 8.372 -10.075 1.00 0.00 C ATOM 1444 O GLN A 95 3.488 8.769 -11.197 1.00 0.00 O ATOM 1445 CB GLN A 95 5.600 10.139 -10.115 1.00 0.00 C ATOM 1446 CG GLN A 95 5.870 9.586 -11.516 1.00 0.00 C ATOM 1447 CD GLN A 95 7.251 10.012 -12.017 1.00 0.00 C ATOM 1448 OE1 GLN A 95 7.648 11.161 -11.918 1.00 0.00 O ATOM 1449 NE2 GLN A 95 7.959 9.025 -12.560 1.00 0.00 N ATOM 0 H GLN A 95 5.602 7.190 -8.881 1.00 0.00 H new ATOM 0 HA GLN A 95 4.356 9.657 -8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.010 11.052 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.543 10.406 -9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.805 8.498 -11.500 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.104 9.941 -12.205 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.567 8.085 -12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.894 9.209 -12.925 1.00 0.00 H new ATOM 1458 N GLN A 96 3.278 7.308 -9.482 1.00 0.00 N ATOM 1459 CA GLN A 96 2.262 6.508 -10.144 1.00 0.00 C ATOM 1460 C GLN A 96 1.735 5.429 -9.194 1.00 0.00 C ATOM 1461 O GLN A 96 0.769 5.656 -8.466 1.00 0.00 O ATOM 1462 CB GLN A 96 2.805 5.886 -11.431 1.00 0.00 C ATOM 1463 CG GLN A 96 2.483 6.763 -12.643 1.00 0.00 C ATOM 1464 CD GLN A 96 1.675 5.986 -13.685 1.00 0.00 C ATOM 1465 OE1 GLN A 96 0.871 5.124 -13.368 1.00 0.00 O ATOM 1466 NE2 GLN A 96 1.935 6.335 -14.941 1.00 0.00 N ATOM 0 H GLN A 96 3.539 6.982 -8.552 1.00 0.00 H new ATOM 0 HA GLN A 96 1.434 7.162 -10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.884 5.755 -11.349 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.374 4.895 -11.570 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.921 7.640 -12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.409 7.124 -13.091 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.620 7.065 -15.136 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.449 5.873 -15.710 1.00 0.00 H new ATOM 1475 N GLY A 97 2.391 4.280 -9.234 1.00 0.00 N ATOM 1476 CA GLY A 97 2.001 3.165 -8.386 1.00 0.00 C ATOM 1477 C GLY A 97 2.421 3.408 -6.935 1.00 0.00 C ATOM 1478 O GLY A 97 3.068 2.559 -6.322 1.00 0.00 O ATOM 0 H GLY A 97 3.190 4.096 -9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.921 3.024 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.460 2.247 -8.752 1.00 0.00 H new ATOM 1482 N ALA A 98 2.037 4.569 -6.427 1.00 0.00 N ATOM 1483 CA ALA A 98 2.366 4.933 -5.059 1.00 0.00 C ATOM 1484 C ALA A 98 3.659 5.752 -5.050 1.00 0.00 C ATOM 1485 O ALA A 98 4.645 5.369 -5.678 1.00 0.00 O ATOM 1486 CB ALA A 98 2.472 3.668 -4.205 1.00 0.00 C ATOM 0 H ALA A 98 1.501 5.270 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 98 1.580 5.553 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.719 3.941 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.520 3.138 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.253 3.022 -4.606 1.00 0.00 H new ATOM 1492 N PHE A 99 3.612 6.865 -4.333 1.00 0.00 N ATOM 1493 CA PHE A 99 4.767 7.741 -4.235 1.00 0.00 C ATOM 1494 C PHE A 99 5.662 7.339 -3.061 1.00 0.00 C ATOM 1495 O PHE A 99 6.763 7.866 -2.906 1.00 0.00 O ATOM 1496 CB PHE A 99 4.236 9.156 -3.994 1.00 0.00 C ATOM 1497 CG PHE A 99 2.950 9.206 -3.168 1.00 0.00 C ATOM 1498 CD1 PHE A 99 3.009 9.113 -1.812 1.00 0.00 C ATOM 1499 CD2 PHE A 99 1.748 9.342 -3.788 1.00 0.00 C ATOM 1500 CE1 PHE A 99 1.815 9.159 -1.044 1.00 0.00 C ATOM 1501 CE2 PHE A 99 0.554 9.389 -3.021 1.00 0.00 C ATOM 1502 CZ PHE A 99 0.613 9.296 -1.665 1.00 0.00 C ATOM 0 H PHE A 99 2.792 7.180 -3.814 1.00 0.00 H new ATOM 0 HA PHE A 99 5.360 7.678 -5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.004 9.740 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.056 9.634 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.964 9.004 -1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.701 9.414 -4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.862 9.085 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.401 9.499 -3.514 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.295 9.331 -1.082 1.00 0.00 H new ATOM 1512 N ASP A 100 5.157 6.407 -2.265 1.00 0.00 N ATOM 1513 CA ASP A 100 5.897 5.928 -1.111 1.00 0.00 C ATOM 1514 C ASP A 100 6.568 4.597 -1.456 1.00 0.00 C ATOM 1515 O ASP A 100 6.548 4.169 -2.610 1.00 0.00 O ATOM 1516 CB ASP A 100 4.967 5.693 0.081 1.00 0.00 C ATOM 1517 CG ASP A 100 4.247 6.941 0.596 1.00 0.00 C ATOM 1518 OD1 ASP A 100 4.830 7.612 1.474 1.00 0.00 O ATOM 1519 OD2 ASP A 100 3.129 7.196 0.099 1.00 0.00 O ATOM 0 H ASP A 100 4.244 5.971 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 100 6.637 6.684 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.220 4.951 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.549 5.265 0.897 1.00 0.00 H new ATOM 1524 N TYR A 101 7.147 3.980 -0.437 1.00 0.00 N ATOM 1525 CA TYR A 101 7.823 2.707 -0.619 1.00 0.00 C ATOM 1526 C TYR A 101 8.327 2.159 0.717 1.00 0.00 C ATOM 1527 O TYR A 101 8.807 2.913 1.561 1.00 0.00 O ATOM 1528 CB TYR A 101 9.023 2.991 -1.525 1.00 0.00 C ATOM 1529 CG TYR A 101 9.400 1.827 -2.442 1.00 0.00 C ATOM 1530 CD1 TYR A 101 9.627 0.574 -1.908 1.00 0.00 C ATOM 1531 CD2 TYR A 101 9.515 2.028 -3.802 1.00 0.00 C ATOM 1532 CE1 TYR A 101 9.983 -0.523 -2.770 1.00 0.00 C ATOM 1533 CE2 TYR A 101 9.871 0.932 -4.665 1.00 0.00 C ATOM 1534 CZ TYR A 101 10.088 -0.289 -4.106 1.00 0.00 C ATOM 1535 OH TYR A 101 10.424 -1.326 -4.921 1.00 0.00 O ATOM 0 H TYR A 101 7.162 4.338 0.518 1.00 0.00 H new ATOM 0 HA TYR A 101 7.143 1.969 -1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.804 3.866 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 101 9.882 3.244 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 101 9.537 0.417 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 101 9.338 3.008 -4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.162 -1.508 -2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.964 1.076 -5.731 1.00 0.00 H new ATOM 0 HH TYR A 101 10.989 -1.958 -4.430 1.00 0.00 H new ATOM 1545 N LEU A 102 8.202 0.847 0.867 1.00 0.00 N ATOM 1546 CA LEU A 102 8.639 0.189 2.086 1.00 0.00 C ATOM 1547 C LEU A 102 9.582 -0.962 1.729 1.00 0.00 C ATOM 1548 O LEU A 102 9.234 -2.130 1.901 1.00 0.00 O ATOM 1549 CB LEU A 102 7.433 -0.241 2.925 1.00 0.00 C ATOM 1550 CG LEU A 102 7.370 0.321 4.346 1.00 0.00 C ATOM 1551 CD1 LEU A 102 7.728 1.808 4.364 1.00 0.00 C ATOM 1552 CD2 LEU A 102 6.004 0.052 4.982 1.00 0.00 C ATOM 0 H LEU A 102 7.805 0.223 0.164 1.00 0.00 H new ATOM 0 HA LEU A 102 9.203 0.881 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.525 0.054 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.427 -1.329 2.985 1.00 0.00 H new ATOM 0 HG LEU A 102 8.114 -0.196 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.675 2.183 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.739 1.944 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.025 2.359 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.986 0.462 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.225 0.525 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.827 -1.023 5.023 1.00 0.00 H new ATOM 1564 N PRO A 103 10.787 -0.583 1.226 1.00 0.00 N ATOM 1565 CA PRO A 103 11.782 -1.570 0.843 1.00 0.00 C ATOM 1566 C PRO A 103 12.450 -2.182 2.076 1.00 0.00 C ATOM 1567 O PRO A 103 12.396 -1.610 3.164 1.00 0.00 O ATOM 1568 CB PRO A 103 12.756 -0.820 -0.050 1.00 0.00 C ATOM 1569 CG PRO A 103 12.536 0.655 0.239 1.00 0.00 C ATOM 1570 CD PRO A 103 11.233 0.790 1.009 1.00 0.00 C ATOM 0 HA PRO A 103 11.350 -2.419 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.785 -1.111 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.573 -1.043 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.366 1.058 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.491 1.223 -0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.384 1.311 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.496 1.361 0.444 1.00 0.00 H new ATOM 1578 N LYS A 104 13.065 -3.336 1.865 1.00 0.00 N ATOM 1579 CA LYS A 104 13.743 -4.031 2.946 1.00 0.00 C ATOM 1580 C LYS A 104 12.760 -4.260 4.096 1.00 0.00 C ATOM 1581 O LYS A 104 11.646 -3.737 4.078 1.00 0.00 O ATOM 1582 CB LYS A 104 15.007 -3.276 3.359 1.00 0.00 C ATOM 1583 CG LYS A 104 16.265 -4.051 2.959 1.00 0.00 C ATOM 1584 CD LYS A 104 17.404 -3.798 3.948 1.00 0.00 C ATOM 1585 CE LYS A 104 18.695 -4.473 3.483 1.00 0.00 C ATOM 1586 NZ LYS A 104 19.373 -3.645 2.460 1.00 0.00 N ATOM 0 H LYS A 104 13.108 -3.807 0.961 1.00 0.00 H new ATOM 0 HA LYS A 104 14.080 -5.013 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.017 -2.292 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.002 -3.115 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.042 -5.117 2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.576 -3.754 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.568 -2.725 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.126 -4.176 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.359 -4.627 4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.470 -5.457 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.248 -4.118 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.744 -3.520 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.605 -2.715 2.864 1.00 0.00 H new ATOM 1600 N PRO A 105 13.218 -5.063 5.093 1.00 0.00 N ATOM 1601 CA PRO A 105 12.392 -5.367 6.249 1.00 0.00 C ATOM 1602 C PRO A 105 12.316 -4.169 7.199 1.00 0.00 C ATOM 1603 O PRO A 105 12.856 -4.215 8.303 1.00 0.00 O ATOM 1604 CB PRO A 105 13.035 -6.589 6.882 1.00 0.00 C ATOM 1605 CG PRO A 105 14.452 -6.644 6.336 1.00 0.00 C ATOM 1606 CD PRO A 105 14.530 -5.700 5.147 1.00 0.00 C ATOM 0 HA PRO A 105 11.355 -5.573 5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.038 -6.510 7.969 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.484 -7.495 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.169 -6.351 7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.706 -7.660 6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.323 -4.963 5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.746 -6.241 4.226 1.00 0.00 H new ATOM 1614 N PHE A 106 11.643 -3.128 6.735 1.00 0.00 N ATOM 1615 CA PHE A 106 11.491 -1.921 7.530 1.00 0.00 C ATOM 1616 C PHE A 106 10.962 -2.248 8.928 1.00 0.00 C ATOM 1617 O PHE A 106 10.873 -3.416 9.304 1.00 0.00 O ATOM 1618 CB PHE A 106 10.473 -1.035 6.808 1.00 0.00 C ATOM 1619 CG PHE A 106 9.265 -1.797 6.257 1.00 0.00 C ATOM 1620 CD1 PHE A 106 8.200 -2.056 7.062 1.00 0.00 C ATOM 1621 CD2 PHE A 106 9.258 -2.215 4.963 1.00 0.00 C ATOM 1622 CE1 PHE A 106 7.079 -2.763 6.551 1.00 0.00 C ATOM 1623 CE2 PHE A 106 8.137 -2.921 4.452 1.00 0.00 C ATOM 1624 CZ PHE A 106 7.071 -3.181 5.257 1.00 0.00 C ATOM 0 H PHE A 106 11.196 -3.094 5.819 1.00 0.00 H new ATOM 0 HA PHE A 106 12.456 -1.426 7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.122 -0.267 7.497 1.00 0.00 H new ATOM 0 HB3 PHE A 106 10.972 -0.522 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.207 -1.724 8.090 1.00 0.00 H new ATOM 0 HD2 PHE A 106 10.105 -2.010 4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 106 6.233 -2.969 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 106 8.130 -3.252 3.424 1.00 0.00 H new ATOM 0 HZ PHE A 106 6.219 -3.719 4.868 1.00 0.00 H new ATOM 1634 N ASP A 107 10.627 -1.196 9.660 1.00 0.00 N ATOM 1635 CA ASP A 107 10.110 -1.358 11.009 1.00 0.00 C ATOM 1636 C ASP A 107 8.622 -1.001 11.027 1.00 0.00 C ATOM 1637 O ASP A 107 8.031 -0.738 9.980 1.00 0.00 O ATOM 1638 CB ASP A 107 10.830 -0.428 11.989 1.00 0.00 C ATOM 1639 CG ASP A 107 11.388 -1.114 13.238 1.00 0.00 C ATOM 1640 OD1 ASP A 107 12.017 -2.180 13.067 1.00 0.00 O ATOM 1641 OD2 ASP A 107 11.171 -0.556 14.336 1.00 0.00 O ATOM 0 H ASP A 107 10.703 -0.229 9.345 1.00 0.00 H new ATOM 0 HA ASP A 107 10.269 -2.394 11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.650 0.063 11.465 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.137 0.354 12.301 1.00 0.00 H new ATOM 1646 N ILE A 108 8.060 -1.006 12.226 1.00 0.00 N ATOM 1647 CA ILE A 108 6.652 -0.687 12.393 1.00 0.00 C ATOM 1648 C ILE A 108 6.451 0.821 12.227 1.00 0.00 C ATOM 1649 O ILE A 108 5.831 1.265 11.262 1.00 0.00 O ATOM 1650 CB ILE A 108 6.134 -1.232 13.725 1.00 0.00 C ATOM 1651 CG1 ILE A 108 5.489 -2.608 13.542 1.00 0.00 C ATOM 1652 CG2 ILE A 108 5.181 -0.237 14.392 1.00 0.00 C ATOM 1653 CD1 ILE A 108 4.547 -2.615 12.336 1.00 0.00 C ATOM 0 H ILE A 108 8.553 -1.226 13.091 1.00 0.00 H new ATOM 0 HA ILE A 108 6.057 -1.175 11.621 1.00 0.00 H new ATOM 0 HB ILE A 108 6.985 -1.362 14.394 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.264 -3.362 13.407 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.936 -2.877 14.442 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.827 -0.649 15.337 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.706 0.700 14.579 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.330 -0.052 13.736 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.102 -3.604 12.228 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.759 -1.877 12.485 1.00 0.00 H new ATOM 0 HD13 ILE A 108 5.108 -2.369 11.434 1.00 0.00 H new ATOM 1665 N ASP A 109 6.990 1.566 13.180 1.00 0.00 N ATOM 1666 CA ASP A 109 6.879 3.015 13.151 1.00 0.00 C ATOM 1667 C ASP A 109 7.347 3.530 11.789 1.00 0.00 C ATOM 1668 O ASP A 109 6.704 4.393 11.193 1.00 0.00 O ATOM 1669 CB ASP A 109 7.756 3.657 14.227 1.00 0.00 C ATOM 1670 CG ASP A 109 7.062 4.723 15.076 1.00 0.00 C ATOM 1671 OD1 ASP A 109 6.820 5.819 14.526 1.00 0.00 O ATOM 1672 OD2 ASP A 109 6.787 4.417 16.257 1.00 0.00 O ATOM 0 H ASP A 109 7.505 1.194 13.978 1.00 0.00 H new ATOM 0 HA ASP A 109 5.837 3.277 13.333 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.127 2.873 14.887 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.625 4.106 13.746 1.00 0.00 H new ATOM 1677 N GLU A 110 8.464 2.980 11.336 1.00 0.00 N ATOM 1678 CA GLU A 110 9.026 3.373 10.055 1.00 0.00 C ATOM 1679 C GLU A 110 8.065 3.014 8.920 1.00 0.00 C ATOM 1680 O GLU A 110 8.141 3.586 7.834 1.00 0.00 O ATOM 1681 CB GLU A 110 10.397 2.730 9.837 1.00 0.00 C ATOM 1682 CG GLU A 110 11.497 3.531 10.536 1.00 0.00 C ATOM 1683 CD GLU A 110 11.931 4.726 9.685 1.00 0.00 C ATOM 1684 OE1 GLU A 110 12.840 4.527 8.849 1.00 0.00 O ATOM 1685 OE2 GLU A 110 11.344 5.810 9.889 1.00 0.00 O ATOM 0 H GLU A 110 8.995 2.265 11.833 1.00 0.00 H new ATOM 0 HA GLU A 110 9.165 4.454 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 110 10.388 1.709 10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 110 10.609 2.670 8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.138 3.881 11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 110 12.355 2.886 10.728 1.00 0.00 H new ATOM 1692 N ALA A 111 7.183 2.070 9.212 1.00 0.00 N ATOM 1693 CA ALA A 111 6.208 1.628 8.229 1.00 0.00 C ATOM 1694 C ALA A 111 4.919 2.433 8.398 1.00 0.00 C ATOM 1695 O ALA A 111 4.379 2.960 7.426 1.00 0.00 O ATOM 1696 CB ALA A 111 5.978 0.122 8.378 1.00 0.00 C ATOM 0 H ALA A 111 7.123 1.599 10.115 1.00 0.00 H new ATOM 0 HA ALA A 111 6.577 1.803 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.247 -0.209 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.918 -0.407 8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.605 -0.092 9.380 1.00 0.00 H new ATOM 1702 N VAL A 112 4.462 2.506 9.640 1.00 0.00 N ATOM 1703 CA VAL A 112 3.247 3.239 9.949 1.00 0.00 C ATOM 1704 C VAL A 112 3.485 4.734 9.722 1.00 0.00 C ATOM 1705 O VAL A 112 2.708 5.393 9.034 1.00 0.00 O ATOM 1706 CB VAL A 112 2.788 2.916 11.373 1.00 0.00 C ATOM 1707 CG1 VAL A 112 1.506 3.675 11.721 1.00 0.00 C ATOM 1708 CG2 VAL A 112 2.602 1.409 11.560 1.00 0.00 C ATOM 0 H VAL A 112 4.912 2.069 10.444 1.00 0.00 H new ATOM 0 HA VAL A 112 2.439 2.934 9.284 1.00 0.00 H new ATOM 0 HB VAL A 112 3.568 3.245 12.060 1.00 0.00 H new ATOM 0 HG11 VAL A 112 1.201 3.428 12.738 1.00 0.00 H new ATOM 0 HG12 VAL A 112 1.687 4.747 11.647 1.00 0.00 H new ATOM 0 HG13 VAL A 112 0.715 3.391 11.026 1.00 0.00 H new ATOM 0 HG21 VAL A 112 2.276 1.206 12.580 1.00 0.00 H new ATOM 0 HG22 VAL A 112 1.850 1.046 10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 112 3.548 0.900 11.374 1.00 0.00 H new ATOM 1718 N ALA A 113 4.565 5.224 10.314 1.00 0.00 N ATOM 1719 CA ALA A 113 4.915 6.627 10.186 1.00 0.00 C ATOM 1720 C ALA A 113 5.086 6.972 8.704 1.00 0.00 C ATOM 1721 O ALA A 113 5.070 8.144 8.330 1.00 0.00 O ATOM 1722 CB ALA A 113 6.177 6.915 11.001 1.00 0.00 C ATOM 0 H ALA A 113 5.208 4.674 10.883 1.00 0.00 H new ATOM 0 HA ALA A 113 4.120 7.259 10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.440 7.968 10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 113 5.994 6.681 12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.998 6.301 10.630 1.00 0.00 H new ATOM 1728 N LEU A 114 5.248 5.930 7.902 1.00 0.00 N ATOM 1729 CA LEU A 114 5.423 6.108 6.470 1.00 0.00 C ATOM 1730 C LEU A 114 4.050 6.234 5.805 1.00 0.00 C ATOM 1731 O LEU A 114 3.937 6.775 4.706 1.00 0.00 O ATOM 1732 CB LEU A 114 6.284 4.983 5.893 1.00 0.00 C ATOM 1733 CG LEU A 114 6.614 5.090 4.402 1.00 0.00 C ATOM 1734 CD1 LEU A 114 8.083 4.745 4.140 1.00 0.00 C ATOM 1735 CD2 LEU A 114 5.666 4.229 3.567 1.00 0.00 C ATOM 0 H LEU A 114 5.262 4.960 8.216 1.00 0.00 H new ATOM 0 HA LEU A 114 5.964 7.031 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.220 4.946 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.773 4.036 6.065 1.00 0.00 H new ATOM 0 HG LEU A 114 6.465 6.125 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 114 8.292 4.829 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.723 5.435 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.282 3.725 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.923 4.324 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.759 3.186 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.640 4.562 3.722 1.00 0.00 H new ATOM 1747 N VAL A 115 3.042 5.728 6.501 1.00 0.00 N ATOM 1748 CA VAL A 115 1.682 5.778 5.991 1.00 0.00 C ATOM 1749 C VAL A 115 1.033 7.098 6.414 1.00 0.00 C ATOM 1750 O VAL A 115 0.151 7.609 5.724 1.00 0.00 O ATOM 1751 CB VAL A 115 0.901 4.549 6.462 1.00 0.00 C ATOM 1752 CG1 VAL A 115 -0.598 4.845 6.530 1.00 0.00 C ATOM 1753 CG2 VAL A 115 1.182 3.344 5.563 1.00 0.00 C ATOM 0 H VAL A 115 3.140 5.282 7.413 1.00 0.00 H new ATOM 0 HA VAL A 115 1.680 5.749 4.901 1.00 0.00 H new ATOM 0 HB VAL A 115 1.239 4.302 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.130 3.955 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.776 5.661 7.230 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.958 5.130 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.615 2.484 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.885 3.576 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.247 3.112 5.588 1.00 0.00 H new ATOM 1763 N GLU A 116 1.492 7.611 7.545 1.00 0.00 N ATOM 1764 CA GLU A 116 0.966 8.860 8.068 1.00 0.00 C ATOM 1765 C GLU A 116 1.405 10.031 7.186 1.00 0.00 C ATOM 1766 O GLU A 116 0.745 11.069 7.153 1.00 0.00 O ATOM 1767 CB GLU A 116 1.402 9.075 9.518 1.00 0.00 C ATOM 1768 CG GLU A 116 0.341 8.558 10.492 1.00 0.00 C ATOM 1769 CD GLU A 116 -0.681 9.649 10.818 1.00 0.00 C ATOM 1770 OE1 GLU A 116 -1.364 10.089 9.868 1.00 0.00 O ATOM 1771 OE2 GLU A 116 -0.758 10.016 12.010 1.00 0.00 O ATOM 0 H GLU A 116 2.223 7.184 8.114 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.123 8.806 8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 116 2.347 8.561 9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.577 10.136 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.167 7.696 10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.820 8.217 11.410 1.00 0.00 H new ATOM 1778 N ARG A 117 2.515 9.825 6.491 1.00 0.00 N ATOM 1779 CA ARG A 117 3.049 10.850 5.612 1.00 0.00 C ATOM 1780 C ARG A 117 2.398 10.755 4.230 1.00 0.00 C ATOM 1781 O ARG A 117 2.371 11.733 3.484 1.00 0.00 O ATOM 1782 CB ARG A 117 4.565 10.714 5.464 1.00 0.00 C ATOM 1783 CG ARG A 117 4.930 9.429 4.717 1.00 0.00 C ATOM 1784 CD ARG A 117 5.909 9.715 3.577 1.00 0.00 C ATOM 1785 NE ARG A 117 7.261 9.972 4.121 1.00 0.00 N ATOM 1786 CZ ARG A 117 8.272 10.490 3.411 1.00 0.00 C ATOM 1787 NH1 ARG A 117 8.089 10.810 2.122 1.00 0.00 N ATOM 1788 NH2 ARG A 117 9.464 10.687 3.989 1.00 0.00 N ATOM 0 H ARG A 117 3.059 8.962 6.520 1.00 0.00 H new ATOM 0 HA ARG A 117 2.825 11.819 6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.960 11.576 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.031 10.711 6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.373 8.715 5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.027 8.967 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.939 8.868 2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.569 10.577 3.003 1.00 0.00 H new ATOM 0 HE ARG A 117 7.434 9.740 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.181 10.659 1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.858 11.205 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.602 10.443 4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.234 11.081 3.449 1.00 0.00 H new ATOM 1802 N ALA A 118 1.889 9.568 3.930 1.00 0.00 N ATOM 1803 CA ALA A 118 1.240 9.334 2.652 1.00 0.00 C ATOM 1804 C ALA A 118 -0.216 9.796 2.731 1.00 0.00 C ATOM 1805 O ALA A 118 -0.818 10.140 1.716 1.00 0.00 O ATOM 1806 CB ALA A 118 1.363 7.854 2.282 1.00 0.00 C ATOM 0 H ALA A 118 1.913 8.759 4.551 1.00 0.00 H new ATOM 0 HA ALA A 118 1.725 9.910 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.876 7.677 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.416 7.583 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.884 7.246 3.050 1.00 0.00 H new ATOM 1812 N ILE A 119 -0.741 9.787 3.948 1.00 0.00 N ATOM 1813 CA ILE A 119 -2.115 10.201 4.173 1.00 0.00 C ATOM 1814 C ILE A 119 -2.212 11.723 4.047 1.00 0.00 C ATOM 1815 O ILE A 119 -3.124 12.239 3.401 1.00 0.00 O ATOM 1816 CB ILE A 119 -2.624 9.662 5.511 1.00 0.00 C ATOM 1817 CG1 ILE A 119 -3.086 8.209 5.377 1.00 0.00 C ATOM 1818 CG2 ILE A 119 -3.723 10.562 6.082 1.00 0.00 C ATOM 1819 CD1 ILE A 119 -3.986 7.810 6.548 1.00 0.00 C ATOM 0 H ILE A 119 -0.239 9.499 4.788 1.00 0.00 H new ATOM 0 HA ILE A 119 -2.770 9.775 3.413 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.797 9.673 6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -3.625 8.080 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.219 7.550 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -4.068 10.157 7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.327 11.566 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.558 10.605 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.300 6.773 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.436 7.917 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.864 8.455 6.568 1.00 0.00 H new ATOM 1831 N SER A 120 -1.260 12.398 4.672 1.00 0.00 N ATOM 1832 CA SER A 120 -1.227 13.851 4.637 1.00 0.00 C ATOM 1833 C SER A 120 -0.724 14.331 3.273 1.00 0.00 C ATOM 1834 O SER A 120 -0.899 15.496 2.918 1.00 0.00 O ATOM 1835 CB SER A 120 -0.343 14.409 5.754 1.00 0.00 C ATOM 1836 OG SER A 120 -0.751 15.713 6.157 1.00 0.00 O ATOM 0 H SER A 120 -0.505 11.967 5.206 1.00 0.00 H new ATOM 0 HA SER A 120 -2.241 14.219 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.376 13.738 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.692 14.442 5.415 1.00 0.00 H new ATOM 0 HG SER A 120 -0.163 16.033 6.872 1.00 0.00 H new ATOM 1842 N HIS A 121 -0.110 13.408 2.548 1.00 0.00 N ATOM 1843 CA HIS A 121 0.419 13.722 1.230 1.00 0.00 C ATOM 1844 C HIS A 121 -0.722 14.159 0.310 1.00 0.00 C ATOM 1845 O HIS A 121 -0.487 14.794 -0.717 1.00 0.00 O ATOM 1846 CB HIS A 121 1.215 12.543 0.670 1.00 0.00 C ATOM 1847 CG HIS A 121 2.490 12.941 -0.036 1.00 0.00 C ATOM 1848 ND1 HIS A 121 3.546 13.553 0.615 1.00 0.00 N ATOM 1849 CD2 HIS A 121 2.865 12.808 -1.340 1.00 0.00 C ATOM 1850 CE1 HIS A 121 4.509 13.774 -0.268 1.00 0.00 C ATOM 1851 NE2 HIS A 121 4.085 13.313 -1.480 1.00 0.00 N ATOM 0 H HIS A 121 0.033 12.443 2.847 1.00 0.00 H new ATOM 0 HA HIS A 121 1.118 14.555 1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 121 1.461 11.864 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.584 11.990 -0.026 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.270 12.367 -2.126 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.463 14.238 -0.064 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.617 13.350 -2.350 1.00 0.00 H new ATOM 1859 N TYR A 122 -1.933 13.802 0.711 1.00 0.00 N ATOM 1860 CA TYR A 122 -3.111 14.149 -0.065 1.00 0.00 C ATOM 1861 C TYR A 122 -3.444 15.635 0.078 1.00 0.00 C ATOM 1862 O TYR A 122 -3.858 16.278 -0.885 1.00 0.00 O ATOM 1863 CB TYR A 122 -4.259 13.324 0.520 1.00 0.00 C ATOM 1864 CG TYR A 122 -5.284 12.860 -0.518 1.00 0.00 C ATOM 1865 CD1 TYR A 122 -6.269 13.726 -0.949 1.00 0.00 C ATOM 1866 CD2 TYR A 122 -5.224 11.578 -1.024 1.00 0.00 C ATOM 1867 CE1 TYR A 122 -7.234 13.291 -1.926 1.00 0.00 C ATOM 1868 CE2 TYR A 122 -6.188 11.143 -2.000 1.00 0.00 C ATOM 1869 CZ TYR A 122 -7.145 12.020 -2.403 1.00 0.00 C ATOM 1870 OH TYR A 122 -8.057 11.609 -3.325 1.00 0.00 O ATOM 0 H TYR A 122 -2.124 13.276 1.564 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.946 13.946 -1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -3.845 12.450 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -4.769 13.917 1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -6.316 14.730 -0.554 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -4.453 10.900 -0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -8.010 13.958 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -6.152 10.142 -2.403 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.872 10.680 -3.577 1.00 0.00 H new ATOM 1880 N GLN A 123 -3.248 16.139 1.288 1.00 0.00 N ATOM 1881 CA GLN A 123 -3.523 17.538 1.570 1.00 0.00 C ATOM 1882 C GLN A 123 -2.276 18.386 1.308 1.00 0.00 C ATOM 1883 O GLN A 123 -1.290 18.287 2.037 1.00 0.00 O ATOM 1884 CB GLN A 123 -4.019 17.722 3.004 1.00 0.00 C ATOM 1885 CG GLN A 123 -4.085 19.204 3.377 1.00 0.00 C ATOM 1886 CD GLN A 123 -4.395 19.383 4.865 1.00 0.00 C ATOM 1887 OE1 GLN A 123 -3.513 19.502 5.698 1.00 0.00 O ATOM 1888 NE2 GLN A 123 -5.694 19.395 5.149 1.00 0.00 N ATOM 0 H GLN A 123 -2.902 15.604 2.084 1.00 0.00 H new ATOM 0 HA GLN A 123 -4.316 17.874 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -5.006 17.272 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -3.354 17.200 3.692 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -3.136 19.685 3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -4.851 19.699 2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -6.380 19.290 4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -6.004 19.509 6.114 1.00 0.00 H new ATOM 1897 N GLU A 124 -2.360 19.200 0.266 1.00 0.00 N ATOM 1898 CA GLU A 124 -1.252 20.065 -0.101 1.00 0.00 C ATOM 1899 C GLU A 124 -0.593 20.642 1.154 1.00 0.00 C ATOM 1900 O GLU A 124 0.525 21.154 1.093 1.00 0.00 O ATOM 1901 CB GLU A 124 -1.713 21.180 -1.041 1.00 0.00 C ATOM 1902 CG GLU A 124 -2.240 22.379 -0.252 1.00 0.00 C ATOM 1903 CD GLU A 124 -2.923 23.388 -1.178 1.00 0.00 C ATOM 1904 OE1 GLU A 124 -4.122 23.174 -1.463 1.00 0.00 O ATOM 1905 OE2 GLU A 124 -2.232 24.348 -1.579 1.00 0.00 O ATOM 0 H GLU A 124 -3.179 19.279 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.512 19.469 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.883 21.493 -1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.494 20.804 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.947 22.039 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -1.417 22.862 0.275 1.00 0.00 H new TER 1912 GLU A 124 CONECT 789 798 CONECT 798 789 799 806 CONECT 799 798 800 802 807 CONECT 800 799 801 810 CONECT 801 800 CONECT 802 799 803 808 809 CONECT 803 802 804 805 CONECT 804 803 CONECT 805 803 CONECT 806 798 CONECT 807 799 CONECT 808 802 CONECT 809 802 CONECT 810 800 END