USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) HEADER SIGNALING PROTEIN 04-NOV-99 1DC7 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 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 1DC7 1 VERSN REVDAT 1 05-JAN-00 1DC7 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 1768 REMARK 3 UNIQUE DISTANCE CONSTRAINTS (OBTAINED FROM 3044 NOE REMARK 3 CROSSPEAKS), INCLUDING 355 INTRARESIDUE, 464 SHORT-RANGE, 445 REMARK 3 MEDIUM RANGE AND 504 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 1DC7 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 RCSB009965. 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 : 50 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1 MM NTRC(1-124) U-15N; 50 MM REMARK 210 SODIUM PHOSPHATE, PH 6.75; 1 REMARK 210 MM NTRC(1-124) U-15N/13C; 50 REMARK 210 MM SODIUM PHOSPHATE, PH 6.75; REMARK 210 1 MM NTRC(1-124) U-15N; 50 MM REMARK 210 SODIUM PHOSPHATE, PH 6.75 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN A 2 119.89 62.20 REMARK 500 ARG A 3 55.74 178.31 REMARK 500 SER A 14 -43.64 -132.96 REMARK 500 GLU A 34 46.10 -74.74 REMARK 500 ASN A 35 90.47 -164.02 REMARK 500 LYS A 46 -166.20 -165.39 REMARK 500 PRO A 48 -161.49 -75.03 REMARK 500 VAL A 50 169.68 176.95 REMARK 500 ASP A 54 -148.75 -115.25 REMARK 500 ILE A 55 -108.71 -86.83 REMARK 500 ARG A 56 -59.99 67.49 REMARK 500 MET A 57 173.61 -45.58 REMARK 500 PRO A 58 -89.25 -75.04 REMARK 500 MET A 60 -63.25 68.17 REMARK 500 MET A 75 -32.95 178.56 REMARK 500 ILE A 80 160.18 72.62 REMARK 500 ALA A 83 40.09 -104.93 REMARK 500 HIS A 84 -57.46 74.33 REMARK 500 ALA A 93 55.56 177.69 REMARK 500 GLN A 95 -79.34 -64.08 REMARK 500 ALA A 98 35.69 -170.10 REMARK 500 ASP A 100 24.52 -156.36 REMARK 500 TYR A 101 90.54 -17.20 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: 1DC8 RELATED DB: PDB REMARK 900 PHOSPHORYLATED NTRC RECEIVER DOMAIN DBREF 1DC7 A 1 124 UNP P41789 NTRC_SALTY 1 124 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 ASP 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 HELIX 1 1 SER A 14 ALA A 24 1 11 HELIX 2 2 ASN A 37 LEU A 43 1 7 HELIX 3 3 LEU A 65 HIS A 73 1 9 HELIX 4 4 ASP A 107 TYR A 122 1 16 SHEET 1 A 3 THR A 31 THR A 32 0 SHEET 2 A 3 TRP A 7 VAL A 9 1 N VAL A 8 O THR A 31 SHEET 3 A 3 LEU A 51 SER A 53 1 N LEU A 52 O TRP A 7 CISPEP 1 LYS A 104 PRO A 105 0 -0.01 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.172) USER MOD Set 1.2: A 95 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -98:sc= 0.095 (180deg=-0.0061) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.511 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -2.9 USER MOD Single : A 31 THR OG1 : rot 126:sc= -0.546 USER MOD Single : A 32 THR OG1 : rot 43:sc= 0.101 USER MOD Single : A 35 ASN :FLIP amide:sc= -3.58! C(o=-4.2!,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -140:sc= -2.3 USER MOD Single : A 53 SER OG : rot 76:sc= -5.54! USER MOD Single : A 57 MET CE :methyl -133:sc= -0.367 (180deg=-2.51!) USER MOD Single : A 60 MET CE :methyl -99:sc= -0.0334 (180deg=-1.23) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.16 F(o=-3.2!,f=-1.2) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.47 F(o=-4.9!,f=-1.5) USER MOD Single : A 73 HIS :FLIP no HE2:sc= -21.7! C(o=-24!,f=-22!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -161:sc= -15! (180deg=-16.6!) USER MOD Single : A 82 THR OG1 : rot -51:sc= 0.4 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.44 F(o=-3,f=-1.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -107:sc= -0.233 USER MOD Single : A 96 GLN : amide:sc=-0.00183 X(o=-0.0018,f=-0.49) USER MOD Single : A 101 TYR OH : rot -101:sc= 0.671 USER MOD Single : A 104 LYS NZ :NH3+ -153:sc= -0.704 (180deg=-1.59) USER MOD Single : A 120 SER OG : rot 105:sc= 0.0817 USER MOD Single : A 121 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-13!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.017 -4.335 15.831 1.00 0.00 N ATOM 2 CA MET A 1 -13.721 -3.484 14.690 1.00 0.00 C ATOM 3 C MET A 1 -12.382 -2.767 14.873 1.00 0.00 C ATOM 4 O MET A 1 -11.833 -2.741 15.973 1.00 0.00 O ATOM 5 CB MET A 1 -14.836 -2.450 14.522 1.00 0.00 C ATOM 6 CG MET A 1 -16.056 -3.065 13.834 1.00 0.00 C ATOM 7 SD MET A 1 -17.364 -1.857 13.715 1.00 0.00 S ATOM 8 CE MET A 1 -18.613 -2.832 12.893 1.00 0.00 C ATOM 0 H1 MET A 1 -13.750 -5.316 15.611 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.479 -4.006 16.658 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.035 -4.293 16.041 1.00 0.00 H new ATOM 0 HA MET A 1 -13.657 -4.110 13.800 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.123 -2.058 15.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.470 -1.607 13.936 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.784 -3.417 12.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.401 -3.933 14.396 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.505 -2.225 12.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.234 -3.171 11.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.863 -3.696 13.508 1.00 0.00 H new ATOM 18 N GLN A 2 -11.895 -2.203 13.778 1.00 0.00 N ATOM 19 CA GLN A 2 -10.631 -1.487 13.804 1.00 0.00 C ATOM 20 C GLN A 2 -9.492 -2.435 14.186 1.00 0.00 C ATOM 21 O GLN A 2 -9.503 -3.020 15.268 1.00 0.00 O ATOM 22 CB GLN A 2 -10.695 -0.294 14.759 1.00 0.00 C ATOM 23 CG GLN A 2 -9.617 0.737 14.422 1.00 0.00 C ATOM 24 CD GLN A 2 -8.474 0.688 15.439 1.00 0.00 C ATOM 25 OE1 GLN A 2 -8.604 1.106 16.578 1.00 0.00 O ATOM 26 NE2 GLN A 2 -7.351 0.155 14.966 1.00 0.00 N ATOM 0 H GLN A 2 -12.353 -2.227 12.867 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.435 -1.099 12.804 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.679 0.171 14.700 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.566 -0.638 15.785 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.227 0.547 13.422 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.055 1.735 14.409 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.310 -0.176 14.002 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.531 0.077 15.567 1.00 0.00 H new ATOM 35 N ARG A 3 -8.536 -2.557 13.277 1.00 0.00 N ATOM 36 CA ARG A 3 -7.392 -3.424 13.506 1.00 0.00 C ATOM 37 C ARG A 3 -6.466 -3.413 12.288 1.00 0.00 C ATOM 38 O ARG A 3 -6.163 -4.463 11.724 1.00 0.00 O ATOM 39 CB ARG A 3 -7.838 -4.861 13.786 1.00 0.00 C ATOM 40 CG ARG A 3 -6.830 -5.582 14.684 1.00 0.00 C ATOM 41 CD ARG A 3 -7.177 -5.388 16.162 1.00 0.00 C ATOM 42 NE ARG A 3 -6.521 -6.435 16.976 1.00 0.00 N ATOM 43 CZ ARG A 3 -6.982 -7.687 17.104 1.00 0.00 C ATOM 44 NH1 ARG A 3 -8.104 -8.055 16.472 1.00 0.00 N ATOM 45 NH2 ARG A 3 -6.321 -8.570 17.865 1.00 0.00 N ATOM 0 H ARG A 3 -8.530 -2.070 12.381 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.857 -3.045 14.377 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.818 -4.855 14.264 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.945 -5.402 12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.820 -6.646 14.445 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.827 -5.202 14.489 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.853 -4.401 16.494 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.257 -5.432 16.300 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.664 -6.188 17.471 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.607 -7.383 15.893 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.455 -9.008 16.569 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.467 -8.289 18.347 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.672 -9.523 17.962 1.00 0.00 H new ATOM 59 N GLY A 4 -6.042 -2.213 11.918 1.00 0.00 N ATOM 60 CA GLY A 4 -5.156 -2.051 10.778 1.00 0.00 C ATOM 61 C GLY A 4 -5.870 -1.341 9.626 1.00 0.00 C ATOM 62 O GLY A 4 -7.037 -1.615 9.350 1.00 0.00 O ATOM 0 H GLY A 4 -6.296 -1.344 12.388 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.277 -1.478 11.074 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.803 -3.027 10.445 1.00 0.00 H new ATOM 66 N ILE A 5 -5.139 -0.441 8.984 1.00 0.00 N ATOM 67 CA ILE A 5 -5.687 0.310 7.868 1.00 0.00 C ATOM 68 C ILE A 5 -4.776 0.145 6.650 1.00 0.00 C ATOM 69 O ILE A 5 -3.559 0.028 6.792 1.00 0.00 O ATOM 70 CB ILE A 5 -5.922 1.768 8.268 1.00 0.00 C ATOM 71 CG1 ILE A 5 -7.120 1.892 9.212 1.00 0.00 C ATOM 72 CG2 ILE A 5 -6.071 2.658 7.032 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.973 3.110 10.126 1.00 0.00 C ATOM 0 H ILE A 5 -4.172 -0.215 9.216 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.665 -0.082 7.589 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.046 2.118 8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.038 1.977 8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.207 0.988 9.815 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.237 3.689 7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.163 2.602 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.919 2.317 6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.837 3.175 10.787 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.067 3.010 10.723 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.910 4.014 9.520 1.00 0.00 H new ATOM 85 N VAL A 6 -5.398 0.142 5.481 1.00 0.00 N ATOM 86 CA VAL A 6 -4.658 -0.007 4.239 1.00 0.00 C ATOM 87 C VAL A 6 -5.360 0.785 3.134 1.00 0.00 C ATOM 88 O VAL A 6 -6.506 0.498 2.793 1.00 0.00 O ATOM 89 CB VAL A 6 -4.496 -1.490 3.901 1.00 0.00 C ATOM 90 CG1 VAL A 6 -4.573 -1.719 2.390 1.00 0.00 C ATOM 91 CG2 VAL A 6 -3.189 -2.043 4.474 1.00 0.00 C ATOM 0 H VAL A 6 -6.407 0.240 5.367 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.652 0.401 4.342 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.321 -2.032 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.455 -2.781 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.540 -1.380 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.779 -1.159 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.098 -3.099 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.346 -1.495 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.190 -1.930 5.558 1.00 0.00 H new ATOM 101 N TRP A 7 -4.643 1.766 2.606 1.00 0.00 N ATOM 102 CA TRP A 7 -5.183 2.601 1.547 1.00 0.00 C ATOM 103 C TRP A 7 -4.760 1.997 0.206 1.00 0.00 C ATOM 104 O TRP A 7 -3.572 1.948 -0.110 1.00 0.00 O ATOM 105 CB TRP A 7 -4.736 4.055 1.714 1.00 0.00 C ATOM 106 CG TRP A 7 -5.560 4.845 2.733 1.00 0.00 C ATOM 107 CD1 TRP A 7 -6.437 4.373 3.629 1.00 0.00 C ATOM 108 CD2 TRP A 7 -5.546 6.276 2.925 1.00 0.00 C ATOM 109 NE1 TRP A 7 -6.988 5.390 4.382 1.00 0.00 N ATOM 110 CE2 TRP A 7 -6.429 6.584 3.940 1.00 0.00 C ATOM 111 CE3 TRP A 7 -4.813 7.276 2.264 1.00 0.00 C ATOM 112 CZ2 TRP A 7 -6.661 7.891 4.384 1.00 0.00 C ATOM 113 CZ3 TRP A 7 -5.056 8.577 2.719 1.00 0.00 C ATOM 114 CH2 TRP A 7 -5.941 8.904 3.739 1.00 0.00 C ATOM 0 H TRP A 7 -3.693 2.001 2.892 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.272 2.623 1.591 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.689 4.070 2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -4.795 4.556 0.748 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -6.682 3.328 3.747 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -7.678 5.285 5.126 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.117 7.058 1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.358 8.106 5.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.518 9.384 2.244 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.073 9.935 4.033 1.00 0.00 H new ATOM 125 N VAL A 8 -5.756 1.550 -0.545 1.00 0.00 N ATOM 126 CA VAL A 8 -5.502 0.951 -1.844 1.00 0.00 C ATOM 127 C VAL A 8 -5.451 2.050 -2.907 1.00 0.00 C ATOM 128 O VAL A 8 -6.242 2.991 -2.870 1.00 0.00 O ATOM 129 CB VAL A 8 -6.555 -0.120 -2.141 1.00 0.00 C ATOM 130 CG1 VAL A 8 -6.301 -0.776 -3.500 1.00 0.00 C ATOM 131 CG2 VAL A 8 -6.601 -1.167 -1.027 1.00 0.00 C ATOM 0 H VAL A 8 -6.740 1.591 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.535 0.448 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.528 0.369 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.063 -1.533 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.342 -0.019 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.317 -1.244 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.357 -1.916 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.627 -1.649 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.852 -0.683 -0.083 1.00 0.00 H new ATOM 141 N VAL A 9 -4.513 1.894 -3.830 1.00 0.00 N ATOM 142 CA VAL A 9 -4.349 2.861 -4.901 1.00 0.00 C ATOM 143 C VAL A 9 -4.150 2.121 -6.225 1.00 0.00 C ATOM 144 O VAL A 9 -3.030 2.022 -6.724 1.00 0.00 O ATOM 145 CB VAL A 9 -3.199 3.816 -4.572 1.00 0.00 C ATOM 146 CG1 VAL A 9 -3.159 4.985 -5.559 1.00 0.00 C ATOM 147 CG2 VAL A 9 -3.300 4.318 -3.131 1.00 0.00 C ATOM 0 H VAL A 9 -3.859 1.112 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.245 3.474 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.265 3.263 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.333 5.649 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.018 4.603 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.097 5.537 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.471 4.995 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.243 4.847 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.257 3.471 -2.447 1.00 0.00 H new ATOM 157 N ASP A 10 -5.255 1.619 -6.757 1.00 0.00 N ATOM 158 CA ASP A 10 -5.217 0.891 -8.014 1.00 0.00 C ATOM 159 C ASP A 10 -6.213 1.517 -8.992 1.00 0.00 C ATOM 160 O ASP A 10 -7.256 2.023 -8.582 1.00 0.00 O ATOM 161 CB ASP A 10 -5.609 -0.575 -7.813 1.00 0.00 C ATOM 162 CG ASP A 10 -5.310 -1.492 -9.000 1.00 0.00 C ATOM 163 OD1 ASP A 10 -5.498 -1.022 -10.143 1.00 0.00 O ATOM 164 OD2 ASP A 10 -4.900 -2.644 -8.739 1.00 0.00 O ATOM 0 H ASP A 10 -6.182 1.702 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.200 0.943 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.087 -0.958 -6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.676 -0.624 -7.595 1.00 0.00 H new ATOM 169 N ASP A 11 -5.856 1.461 -10.267 1.00 0.00 N ATOM 170 CA ASP A 11 -6.705 2.017 -11.307 1.00 0.00 C ATOM 171 C ASP A 11 -7.597 0.911 -11.875 1.00 0.00 C ATOM 172 O ASP A 11 -8.066 1.008 -13.008 1.00 0.00 O ATOM 173 CB ASP A 11 -5.869 2.587 -12.455 1.00 0.00 C ATOM 174 CG ASP A 11 -5.611 4.093 -12.380 1.00 0.00 C ATOM 175 OD1 ASP A 11 -6.592 4.826 -12.133 1.00 0.00 O ATOM 176 OD2 ASP A 11 -4.437 4.477 -12.573 1.00 0.00 O ATOM 0 H ASP A 11 -4.990 1.039 -10.603 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.301 2.815 -10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.910 2.070 -12.478 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.373 2.366 -13.396 1.00 0.00 H new ATOM 181 N ASP A 12 -7.804 -0.114 -11.062 1.00 0.00 N ATOM 182 CA ASP A 12 -8.632 -1.237 -11.470 1.00 0.00 C ATOM 183 C ASP A 12 -9.746 -1.444 -10.442 1.00 0.00 C ATOM 184 O ASP A 12 -9.766 -0.786 -9.403 1.00 0.00 O ATOM 185 CB ASP A 12 -7.812 -2.527 -11.545 1.00 0.00 C ATOM 186 CG ASP A 12 -7.071 -2.746 -12.866 1.00 0.00 C ATOM 187 OD1 ASP A 12 -7.411 -2.031 -13.833 1.00 0.00 O ATOM 188 OD2 ASP A 12 -6.182 -3.625 -12.878 1.00 0.00 O ATOM 0 H ASP A 12 -7.413 -0.191 -10.123 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.043 -1.013 -12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.084 -2.525 -10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.477 -3.373 -11.374 1.00 0.00 H new ATOM 193 N SER A 13 -10.646 -2.360 -10.768 1.00 0.00 N ATOM 194 CA SER A 13 -11.760 -2.662 -9.886 1.00 0.00 C ATOM 195 C SER A 13 -11.832 -4.168 -9.630 1.00 0.00 C ATOM 196 O SER A 13 -12.898 -4.772 -9.751 1.00 0.00 O ATOM 197 CB SER A 13 -13.080 -2.159 -10.474 1.00 0.00 C ATOM 198 OG SER A 13 -13.973 -1.696 -9.464 1.00 0.00 O ATOM 0 H SER A 13 -10.626 -2.903 -11.631 1.00 0.00 H new ATOM 0 HA SER A 13 -11.596 -2.147 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.879 -1.351 -11.178 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.555 -2.962 -11.038 1.00 0.00 H new ATOM 0 HG SER A 13 -14.803 -1.382 -9.880 1.00 0.00 H new ATOM 204 N SER A 14 -10.685 -4.733 -9.282 1.00 0.00 N ATOM 205 CA SER A 14 -10.605 -6.158 -9.009 1.00 0.00 C ATOM 206 C SER A 14 -9.837 -6.398 -7.708 1.00 0.00 C ATOM 207 O SER A 14 -10.245 -7.216 -6.884 1.00 0.00 O ATOM 208 CB SER A 14 -9.937 -6.904 -10.165 1.00 0.00 C ATOM 209 OG SER A 14 -10.202 -8.303 -10.121 1.00 0.00 O ATOM 0 H SER A 14 -9.803 -4.230 -9.183 1.00 0.00 H new ATOM 0 HA SER A 14 -11.619 -6.543 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.292 -6.497 -11.112 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.860 -6.738 -10.130 1.00 0.00 H new ATOM 0 HG SER A 14 -9.760 -8.744 -10.876 1.00 0.00 H new ATOM 215 N ILE A 15 -8.739 -5.671 -7.563 1.00 0.00 N ATOM 216 CA ILE A 15 -7.910 -5.795 -6.376 1.00 0.00 C ATOM 217 C ILE A 15 -8.497 -4.932 -5.257 1.00 0.00 C ATOM 218 O ILE A 15 -8.482 -5.326 -4.092 1.00 0.00 O ATOM 219 CB ILE A 15 -6.452 -5.469 -6.704 1.00 0.00 C ATOM 220 CG1 ILE A 15 -5.980 -6.245 -7.936 1.00 0.00 C ATOM 221 CG2 ILE A 15 -5.549 -5.713 -5.493 1.00 0.00 C ATOM 222 CD1 ILE A 15 -5.159 -7.470 -7.531 1.00 0.00 C ATOM 0 H ILE A 15 -8.404 -4.994 -8.248 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.909 -6.824 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.386 -4.408 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.842 -6.559 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.380 -5.594 -8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.518 -5.473 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.871 -5.080 -4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.614 -6.760 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.836 -8.003 -8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.285 -7.151 -6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.770 -8.130 -6.915 1.00 0.00 H new ATOM 234 N ARG A 16 -9.000 -3.771 -5.650 1.00 0.00 N ATOM 235 CA ARG A 16 -9.590 -2.849 -4.695 1.00 0.00 C ATOM 236 C ARG A 16 -10.698 -3.545 -3.901 1.00 0.00 C ATOM 237 O ARG A 16 -10.875 -3.279 -2.713 1.00 0.00 O ATOM 238 CB ARG A 16 -10.171 -1.623 -5.400 1.00 0.00 C ATOM 239 CG ARG A 16 -11.456 -1.979 -6.151 1.00 0.00 C ATOM 240 CD ARG A 16 -12.097 -0.732 -6.764 1.00 0.00 C ATOM 241 NE ARG A 16 -13.560 -0.920 -6.879 1.00 0.00 N ATOM 242 CZ ARG A 16 -14.441 0.085 -6.980 1.00 0.00 C ATOM 243 NH1 ARG A 16 -14.012 1.354 -6.980 1.00 0.00 N ATOM 244 NH2 ARG A 16 -15.751 -0.180 -7.080 1.00 0.00 N ATOM 0 H ARG A 16 -9.011 -3.448 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.801 -2.524 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.378 -0.842 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.438 -1.219 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.234 -2.701 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.160 -2.456 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.881 0.139 -6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.668 -0.539 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.921 -1.874 -6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.015 1.555 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.682 2.119 -7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.077 -1.146 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.422 0.585 -7.157 1.00 0.00 H new ATOM 258 N TRP A 17 -11.413 -4.422 -4.589 1.00 0.00 N ATOM 259 CA TRP A 17 -12.499 -5.158 -3.963 1.00 0.00 C ATOM 260 C TRP A 17 -11.888 -6.304 -3.153 1.00 0.00 C ATOM 261 O TRP A 17 -12.192 -6.465 -1.972 1.00 0.00 O ATOM 262 CB TRP A 17 -13.511 -5.635 -5.006 1.00 0.00 C ATOM 263 CG TRP A 17 -13.775 -7.142 -4.972 1.00 0.00 C ATOM 264 CD1 TRP A 17 -14.075 -7.904 -3.911 1.00 0.00 C ATOM 265 CD2 TRP A 17 -13.752 -8.045 -6.098 1.00 0.00 C ATOM 266 NE1 TRP A 17 -14.245 -9.225 -4.269 1.00 0.00 N ATOM 267 CE2 TRP A 17 -14.043 -9.314 -5.641 1.00 0.00 C ATOM 268 CE3 TRP A 17 -13.494 -7.797 -7.458 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -14.103 -10.435 -6.478 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -13.558 -8.927 -8.281 1.00 0.00 C ATOM 271 CH2 TRP A 17 -13.850 -10.212 -7.836 1.00 0.00 C ATOM 0 H TRP A 17 -11.262 -4.640 -5.574 1.00 0.00 H new ATOM 0 HA TRP A 17 -13.061 -4.515 -3.286 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -14.452 -5.108 -4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -13.151 -5.362 -5.998 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -14.172 -7.530 -2.902 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -14.477 -9.995 -3.642 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -13.265 -6.812 -7.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -14.332 -11.419 -6.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -13.367 -8.792 -9.335 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -13.881 -11.034 -8.536 1.00 0.00 H new ATOM 282 N VAL A 18 -11.039 -7.070 -3.821 1.00 0.00 N ATOM 283 CA VAL A 18 -10.383 -8.196 -3.179 1.00 0.00 C ATOM 284 C VAL A 18 -9.691 -7.717 -1.901 1.00 0.00 C ATOM 285 O VAL A 18 -9.932 -8.255 -0.822 1.00 0.00 O ATOM 286 CB VAL A 18 -9.424 -8.873 -4.160 1.00 0.00 C ATOM 287 CG1 VAL A 18 -8.600 -9.958 -3.463 1.00 0.00 C ATOM 288 CG2 VAL A 18 -10.181 -9.445 -5.360 1.00 0.00 C ATOM 0 H VAL A 18 -10.790 -6.933 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.115 -8.950 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.734 -8.115 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.927 -10.423 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.017 -9.511 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.268 -10.714 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.476 -9.921 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.906 -10.182 -5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.701 -8.640 -5.879 1.00 0.00 H new ATOM 298 N LEU A 19 -8.845 -6.711 -2.066 1.00 0.00 N ATOM 299 CA LEU A 19 -8.117 -6.153 -0.939 1.00 0.00 C ATOM 300 C LEU A 19 -9.110 -5.725 0.143 1.00 0.00 C ATOM 301 O LEU A 19 -8.999 -6.146 1.293 1.00 0.00 O ATOM 302 CB LEU A 19 -7.191 -5.027 -1.404 1.00 0.00 C ATOM 303 CG LEU A 19 -5.780 -5.447 -1.821 1.00 0.00 C ATOM 304 CD1 LEU A 19 -5.064 -4.313 -2.556 1.00 0.00 C ATOM 305 CD2 LEU A 19 -4.978 -5.945 -0.616 1.00 0.00 C ATOM 0 H LEU A 19 -8.647 -6.268 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.467 -6.907 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.662 -4.521 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.108 -4.296 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.864 -6.280 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.064 -4.639 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.627 -4.046 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.990 -3.445 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.979 -6.237 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.901 -5.149 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.482 -6.804 -0.173 1.00 0.00 H new ATOM 317 N GLU A 20 -10.058 -4.894 -0.264 1.00 0.00 N ATOM 318 CA GLU A 20 -11.070 -4.405 0.657 1.00 0.00 C ATOM 319 C GLU A 20 -11.822 -5.577 1.290 1.00 0.00 C ATOM 320 O GLU A 20 -12.114 -5.559 2.485 1.00 0.00 O ATOM 321 CB GLU A 20 -12.036 -3.450 -0.047 1.00 0.00 C ATOM 322 CG GLU A 20 -13.262 -3.169 0.824 1.00 0.00 C ATOM 323 CD GLU A 20 -13.782 -1.748 0.597 1.00 0.00 C ATOM 324 OE1 GLU A 20 -13.756 -1.315 -0.575 1.00 0.00 O ATOM 325 OE2 GLU A 20 -14.193 -1.127 1.601 1.00 0.00 O ATOM 0 H GLU A 20 -10.147 -4.547 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.573 -3.847 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.526 -2.514 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.352 -3.881 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.048 -3.889 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.004 -3.302 1.875 1.00 0.00 H new ATOM 332 N ARG A 21 -12.115 -6.568 0.461 1.00 0.00 N ATOM 333 CA ARG A 21 -12.828 -7.746 0.926 1.00 0.00 C ATOM 334 C ARG A 21 -11.964 -8.535 1.912 1.00 0.00 C ATOM 335 O ARG A 21 -12.397 -8.828 3.025 1.00 0.00 O ATOM 336 CB ARG A 21 -13.212 -8.654 -0.244 1.00 0.00 C ATOM 337 CG ARG A 21 -13.525 -10.071 0.242 1.00 0.00 C ATOM 338 CD ARG A 21 -14.413 -10.810 -0.761 1.00 0.00 C ATOM 339 NE ARG A 21 -15.577 -11.404 -0.065 1.00 0.00 N ATOM 340 CZ ARG A 21 -16.351 -12.367 -0.584 1.00 0.00 C ATOM 341 NH1 ARG A 21 -16.090 -12.851 -1.806 1.00 0.00 N ATOM 342 NH2 ARG A 21 -17.386 -12.846 0.120 1.00 0.00 N ATOM 0 H ARG A 21 -11.872 -6.580 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.737 -7.408 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.080 -8.242 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.397 -8.685 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.596 -10.623 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.023 -10.026 1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.754 -10.121 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.840 -11.591 -1.260 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.804 -11.059 0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.302 -12.486 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.679 -13.584 -2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.584 -12.478 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.976 -13.579 -0.274 1.00 0.00 H new ATOM 356 N ALA A 22 -10.758 -8.855 1.468 1.00 0.00 N ATOM 357 CA ALA A 22 -9.829 -9.604 2.298 1.00 0.00 C ATOM 358 C ALA A 22 -9.509 -8.794 3.556 1.00 0.00 C ATOM 359 O ALA A 22 -9.552 -9.321 4.666 1.00 0.00 O ATOM 360 CB ALA A 22 -8.576 -9.941 1.487 1.00 0.00 C ATOM 0 H ALA A 22 -10.402 -8.610 0.544 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.274 -10.547 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.880 -10.503 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.854 -10.542 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.101 -9.019 1.152 1.00 0.00 H new ATOM 366 N LEU A 23 -9.194 -7.525 3.340 1.00 0.00 N ATOM 367 CA LEU A 23 -8.866 -6.637 4.442 1.00 0.00 C ATOM 368 C LEU A 23 -10.062 -6.548 5.392 1.00 0.00 C ATOM 369 O LEU A 23 -9.892 -6.527 6.610 1.00 0.00 O ATOM 370 CB LEU A 23 -8.397 -5.279 3.915 1.00 0.00 C ATOM 371 CG LEU A 23 -6.951 -5.216 3.418 1.00 0.00 C ATOM 372 CD1 LEU A 23 -6.893 -4.766 1.957 1.00 0.00 C ATOM 373 CD2 LEU A 23 -6.098 -4.328 4.326 1.00 0.00 C ATOM 0 H LEU A 23 -9.159 -7.091 2.418 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.030 -7.036 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.054 -4.982 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.520 -4.541 4.708 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.530 -6.220 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.854 -4.730 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.445 -5.472 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.338 -3.775 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.075 -4.300 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.508 -3.318 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.102 -4.732 5.338 1.00 0.00 H new ATOM 385 N ALA A 24 -11.246 -6.498 4.799 1.00 0.00 N ATOM 386 CA ALA A 24 -12.470 -6.412 5.578 1.00 0.00 C ATOM 387 C ALA A 24 -12.921 -7.821 5.968 1.00 0.00 C ATOM 388 O ALA A 24 -13.929 -7.986 6.654 1.00 0.00 O ATOM 389 CB ALA A 24 -13.534 -5.660 4.775 1.00 0.00 C ATOM 0 H ALA A 24 -11.384 -6.515 3.788 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.301 -5.854 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.452 -5.595 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.176 -4.656 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.732 -6.193 3.845 1.00 0.00 H new ATOM 395 N GLY A 25 -12.153 -8.801 5.514 1.00 0.00 N ATOM 396 CA GLY A 25 -12.462 -10.190 5.807 1.00 0.00 C ATOM 397 C GLY A 25 -11.480 -10.766 6.830 1.00 0.00 C ATOM 398 O GLY A 25 -11.808 -11.710 7.547 1.00 0.00 O ATOM 0 H GLY A 25 -11.318 -8.660 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.479 -10.267 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.422 -10.777 4.889 1.00 0.00 H new ATOM 402 N ALA A 26 -10.296 -10.173 6.864 1.00 0.00 N ATOM 403 CA ALA A 26 -9.264 -10.615 7.787 1.00 0.00 C ATOM 404 C ALA A 26 -9.410 -9.859 9.109 1.00 0.00 C ATOM 405 O ALA A 26 -8.728 -10.170 10.084 1.00 0.00 O ATOM 406 CB ALA A 26 -7.888 -10.413 7.149 1.00 0.00 C ATOM 0 H ALA A 26 -10.028 -9.390 6.267 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.371 -11.678 8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.114 -10.744 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.825 -10.994 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.744 -9.357 6.922 1.00 0.00 H new ATOM 412 N GLY A 27 -10.303 -8.880 9.098 1.00 0.00 N ATOM 413 CA GLY A 27 -10.548 -8.078 10.285 1.00 0.00 C ATOM 414 C GLY A 27 -9.662 -6.830 10.294 1.00 0.00 C ATOM 415 O GLY A 27 -9.214 -6.391 11.352 1.00 0.00 O ATOM 0 H GLY A 27 -10.865 -8.624 8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.597 -7.784 10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.354 -8.673 11.177 1.00 0.00 H new ATOM 419 N LEU A 28 -9.436 -6.295 9.104 1.00 0.00 N ATOM 420 CA LEU A 28 -8.612 -5.106 8.962 1.00 0.00 C ATOM 421 C LEU A 28 -9.378 -4.053 8.158 1.00 0.00 C ATOM 422 O LEU A 28 -10.376 -4.366 7.510 1.00 0.00 O ATOM 423 CB LEU A 28 -7.251 -5.466 8.364 1.00 0.00 C ATOM 424 CG LEU A 28 -6.139 -4.433 8.556 1.00 0.00 C ATOM 425 CD1 LEU A 28 -4.865 -5.090 9.089 1.00 0.00 C ATOM 426 CD2 LEU A 28 -5.886 -3.654 7.264 1.00 0.00 C ATOM 0 H LEU A 28 -9.809 -6.663 8.229 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.400 -4.670 9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.923 -6.409 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.380 -5.637 7.295 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.467 -3.714 9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.091 -4.333 9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.073 -5.561 10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.522 -5.845 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.091 -2.926 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.589 -4.345 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.798 -3.135 6.968 1.00 0.00 H new ATOM 438 N THR A 29 -8.881 -2.827 8.225 1.00 0.00 N ATOM 439 CA THR A 29 -9.505 -1.726 7.512 1.00 0.00 C ATOM 440 C THR A 29 -8.837 -1.526 6.150 1.00 0.00 C ATOM 441 O THR A 29 -7.677 -1.891 5.964 1.00 0.00 O ATOM 442 CB THR A 29 -9.444 -0.487 8.407 1.00 0.00 C ATOM 443 OG1 THR A 29 -10.083 -0.898 9.612 1.00 0.00 O ATOM 444 CG2 THR A 29 -10.323 0.653 7.889 1.00 0.00 C ATOM 0 H THR A 29 -8.053 -2.572 8.763 1.00 0.00 H new ATOM 0 HA THR A 29 -10.553 -1.937 7.297 1.00 0.00 H new ATOM 0 HB THR A 29 -8.412 -0.144 8.483 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.086 -0.155 10.251 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.243 1.508 8.561 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.992 0.943 6.892 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.360 0.321 7.845 1.00 0.00 H new ATOM 452 N CYS A 30 -9.597 -0.946 5.233 1.00 0.00 N ATOM 453 CA CYS A 30 -9.093 -0.693 3.894 1.00 0.00 C ATOM 454 C CYS A 30 -9.835 0.518 3.322 1.00 0.00 C ATOM 455 O CYS A 30 -10.981 0.777 3.687 1.00 0.00 O ATOM 456 CB CYS A 30 -9.232 -1.923 2.995 1.00 0.00 C ATOM 457 SG CYS A 30 -8.903 -1.467 1.254 1.00 0.00 S ATOM 0 H CYS A 30 -10.558 -0.644 5.391 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.026 -0.476 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.535 -2.698 3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.235 -2.339 3.087 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.022 -2.519 0.500 1.00 0.00 H new ATOM 463 N THR A 31 -9.151 1.226 2.436 1.00 0.00 N ATOM 464 CA THR A 31 -9.730 2.403 1.811 1.00 0.00 C ATOM 465 C THR A 31 -9.275 2.512 0.354 1.00 0.00 C ATOM 466 O THR A 31 -8.133 2.880 0.083 1.00 0.00 O ATOM 467 CB THR A 31 -9.356 3.621 2.657 1.00 0.00 C ATOM 468 OG1 THR A 31 -9.566 3.190 3.999 1.00 0.00 O ATOM 469 CG2 THR A 31 -10.337 4.781 2.480 1.00 0.00 C ATOM 0 H THR A 31 -8.201 1.007 2.136 1.00 0.00 H new ATOM 0 HA THR A 31 -10.817 2.336 1.775 1.00 0.00 H new ATOM 0 HB THR A 31 -8.352 3.952 2.392 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.748 3.333 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.025 5.620 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.350 5.090 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.336 4.461 2.776 1.00 0.00 H new ATOM 477 N THR A 32 -10.191 2.184 -0.545 1.00 0.00 N ATOM 478 CA THR A 32 -9.898 2.240 -1.967 1.00 0.00 C ATOM 479 C THR A 32 -9.676 3.688 -2.409 1.00 0.00 C ATOM 480 O THR A 32 -10.519 4.551 -2.167 1.00 0.00 O ATOM 481 CB THR A 32 -11.038 1.545 -2.713 1.00 0.00 C ATOM 482 OG1 THR A 32 -12.212 1.969 -2.025 1.00 0.00 O ATOM 483 CG2 THR A 32 -11.023 0.027 -2.523 1.00 0.00 C ATOM 0 H THR A 32 -11.137 1.878 -0.316 1.00 0.00 H new ATOM 0 HA THR A 32 -8.971 1.716 -2.201 1.00 0.00 H new ATOM 0 HB THR A 32 -10.971 1.778 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.151 2.928 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.853 -0.417 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.082 -0.377 -2.897 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.123 -0.208 -1.463 1.00 0.00 H new ATOM 491 N PHE A 33 -8.537 3.910 -3.048 1.00 0.00 N ATOM 492 CA PHE A 33 -8.194 5.239 -3.526 1.00 0.00 C ATOM 493 C PHE A 33 -7.515 5.171 -4.896 1.00 0.00 C ATOM 494 O PHE A 33 -6.304 5.360 -5.003 1.00 0.00 O ATOM 495 CB PHE A 33 -7.215 5.839 -2.515 1.00 0.00 C ATOM 496 CG PHE A 33 -7.875 6.317 -1.220 1.00 0.00 C ATOM 497 CD1 PHE A 33 -8.852 7.263 -1.263 1.00 0.00 C ATOM 498 CD2 PHE A 33 -7.484 5.797 -0.025 1.00 0.00 C ATOM 499 CE1 PHE A 33 -9.464 7.706 -0.061 1.00 0.00 C ATOM 500 CE2 PHE A 33 -8.096 6.241 1.177 1.00 0.00 C ATOM 501 CZ PHE A 33 -9.073 7.186 1.134 1.00 0.00 C ATOM 0 H PHE A 33 -7.840 3.192 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.096 5.842 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.458 5.094 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.698 6.679 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.162 7.677 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.708 5.047 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.240 8.456 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.786 5.828 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.538 7.524 2.048 1.00 0.00 H new ATOM 511 N GLU A 34 -8.325 4.899 -5.909 1.00 0.00 N ATOM 512 CA GLU A 34 -7.817 4.804 -7.267 1.00 0.00 C ATOM 513 C GLU A 34 -7.512 6.198 -7.819 1.00 0.00 C ATOM 514 O GLU A 34 -7.879 6.516 -8.949 1.00 0.00 O ATOM 515 CB GLU A 34 -8.804 4.061 -8.170 1.00 0.00 C ATOM 516 CG GLU A 34 -10.127 4.823 -8.280 1.00 0.00 C ATOM 517 CD GLU A 34 -10.207 5.594 -9.599 1.00 0.00 C ATOM 518 OE1 GLU A 34 -9.699 5.053 -10.605 1.00 0.00 O ATOM 519 OE2 GLU A 34 -10.774 6.708 -9.572 1.00 0.00 O ATOM 0 H GLU A 34 -9.329 4.742 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.890 4.232 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.370 3.933 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.987 3.063 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.960 4.124 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.223 5.515 -7.443 1.00 0.00 H new ATOM 526 N ASN A 35 -6.842 6.991 -6.996 1.00 0.00 N ATOM 527 CA ASN A 35 -6.482 8.343 -7.388 1.00 0.00 C ATOM 528 C ASN A 35 -5.401 8.873 -6.443 1.00 0.00 C ATOM 529 O ASN A 35 -5.710 9.467 -5.412 1.00 0.00 O ATOM 530 CB ASN A 35 -7.688 9.281 -7.299 1.00 0.00 C ATOM 531 CG ASN A 35 -8.897 8.691 -8.028 1.00 0.00 C ATOM 532 OD1 ASN A 35 -9.760 8.071 -7.228 1.00 0.00 O flip ATOM 533 ND2 ASN A 35 -9.036 8.792 -9.235 1.00 0.00 N flip ATOM 0 H ASN A 35 -6.539 6.723 -6.060 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.123 8.312 -8.417 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.940 9.457 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.434 10.248 -7.733 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.334 9.282 -9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.854 8.387 -9.690 1.00 0.00 H new ATOM 540 N GLY A 36 -4.156 8.638 -6.830 1.00 0.00 N ATOM 541 CA GLY A 36 -3.027 9.084 -6.031 1.00 0.00 C ATOM 542 C GLY A 36 -3.325 10.427 -5.363 1.00 0.00 C ATOM 543 O GLY A 36 -2.843 10.699 -4.264 1.00 0.00 O ATOM 0 H GLY A 36 -3.904 8.144 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.798 8.338 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.144 9.176 -6.663 1.00 0.00 H new ATOM 547 N ASN A 37 -4.118 11.233 -6.054 1.00 0.00 N ATOM 548 CA ASN A 37 -4.486 12.542 -5.542 1.00 0.00 C ATOM 549 C ASN A 37 -5.219 12.375 -4.209 1.00 0.00 C ATOM 550 O ASN A 37 -4.789 12.911 -3.189 1.00 0.00 O ATOM 551 CB ASN A 37 -5.423 13.268 -6.508 1.00 0.00 C ATOM 552 CG ASN A 37 -5.045 14.746 -6.632 1.00 0.00 C ATOM 553 OD1 ASN A 37 -5.711 15.629 -6.118 1.00 0.00 O ATOM 554 ND2 ASN A 37 -3.941 14.964 -7.341 1.00 0.00 N ATOM 0 H ASN A 37 -4.516 11.004 -6.965 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.573 13.125 -5.419 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.379 12.794 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.451 13.180 -6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.605 15.917 -7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.430 14.178 -7.744 1.00 0.00 H new ATOM 561 N GLU A 38 -6.312 11.629 -4.260 1.00 0.00 N ATOM 562 CA GLU A 38 -7.109 11.385 -3.070 1.00 0.00 C ATOM 563 C GLU A 38 -6.214 10.923 -1.918 1.00 0.00 C ATOM 564 O GLU A 38 -6.258 11.489 -0.827 1.00 0.00 O ATOM 565 CB GLU A 38 -8.214 10.365 -3.349 1.00 0.00 C ATOM 566 CG GLU A 38 -9.596 11.013 -3.250 1.00 0.00 C ATOM 567 CD GLU A 38 -10.593 10.077 -2.563 1.00 0.00 C ATOM 568 OE1 GLU A 38 -11.173 9.238 -3.285 1.00 0.00 O ATOM 569 OE2 GLU A 38 -10.752 10.221 -1.332 1.00 0.00 O ATOM 0 H GLU A 38 -6.665 11.185 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.589 12.320 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.078 9.939 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.142 9.542 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.525 11.947 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.956 11.264 -4.248 1.00 0.00 H new ATOM 576 N VAL A 39 -5.422 9.898 -2.201 1.00 0.00 N ATOM 577 CA VAL A 39 -4.518 9.353 -1.202 1.00 0.00 C ATOM 578 C VAL A 39 -3.465 10.404 -0.847 1.00 0.00 C ATOM 579 O VAL A 39 -2.724 10.243 0.122 1.00 0.00 O ATOM 580 CB VAL A 39 -3.910 8.043 -1.707 1.00 0.00 C ATOM 581 CG1 VAL A 39 -2.382 8.087 -1.639 1.00 0.00 C ATOM 582 CG2 VAL A 39 -4.459 6.847 -0.927 1.00 0.00 C ATOM 0 H VAL A 39 -5.388 9.431 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.059 9.113 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.196 7.921 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.974 7.144 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.014 8.905 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.068 8.243 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.011 5.929 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.217 6.960 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.541 6.799 -1.048 1.00 0.00 H new ATOM 592 N LEU A 40 -3.431 11.457 -1.650 1.00 0.00 N ATOM 593 CA LEU A 40 -2.480 12.534 -1.432 1.00 0.00 C ATOM 594 C LEU A 40 -3.144 13.634 -0.600 1.00 0.00 C ATOM 595 O LEU A 40 -2.524 14.194 0.303 1.00 0.00 O ATOM 596 CB LEU A 40 -1.915 13.028 -2.765 1.00 0.00 C ATOM 597 CG LEU A 40 -1.624 14.527 -2.857 1.00 0.00 C ATOM 598 CD1 LEU A 40 -0.218 14.845 -2.345 1.00 0.00 C ATOM 599 CD2 LEU A 40 -1.847 15.043 -4.280 1.00 0.00 C ATOM 0 H LEU A 40 -4.047 11.588 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.623 12.176 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.992 12.486 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.619 12.766 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.328 15.052 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.037 15.917 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.131 14.536 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.518 14.309 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.633 16.111 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.184 14.516 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.883 14.870 -4.572 1.00 0.00 H new ATOM 611 N ALA A 41 -4.396 13.911 -0.935 1.00 0.00 N ATOM 612 CA ALA A 41 -5.150 14.933 -0.231 1.00 0.00 C ATOM 613 C ALA A 41 -5.791 14.321 1.016 1.00 0.00 C ATOM 614 O ALA A 41 -6.440 15.020 1.792 1.00 0.00 O ATOM 615 CB ALA A 41 -6.185 15.547 -1.176 1.00 0.00 C ATOM 0 H ALA A 41 -4.907 13.445 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.491 15.737 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.751 16.314 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.677 15.995 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.865 14.770 -1.525 1.00 0.00 H new ATOM 621 N ALA A 42 -5.585 13.021 1.170 1.00 0.00 N ATOM 622 CA ALA A 42 -6.134 12.306 2.310 1.00 0.00 C ATOM 623 C ALA A 42 -5.007 11.975 3.290 1.00 0.00 C ATOM 624 O ALA A 42 -5.223 11.941 4.501 1.00 0.00 O ATOM 625 CB ALA A 42 -6.868 11.055 1.823 1.00 0.00 C ATOM 0 H ALA A 42 -5.046 12.444 0.524 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.859 12.925 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.280 10.519 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.677 11.346 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.171 10.408 1.291 1.00 0.00 H new ATOM 631 N LEU A 43 -3.829 11.741 2.731 1.00 0.00 N ATOM 632 CA LEU A 43 -2.668 11.414 3.541 1.00 0.00 C ATOM 633 C LEU A 43 -1.816 12.670 3.733 1.00 0.00 C ATOM 634 O LEU A 43 -0.724 12.604 4.296 1.00 0.00 O ATOM 635 CB LEU A 43 -1.902 10.239 2.930 1.00 0.00 C ATOM 636 CG LEU A 43 -1.443 9.155 3.909 1.00 0.00 C ATOM 637 CD1 LEU A 43 -1.422 7.782 3.235 1.00 0.00 C ATOM 638 CD2 LEU A 43 -0.090 9.512 4.526 1.00 0.00 C ATOM 0 H LEU A 43 -3.653 11.771 1.727 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.976 11.082 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.534 9.773 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.025 10.631 2.416 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.164 9.102 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.093 7.030 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.423 7.534 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.735 7.802 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.213 8.726 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.656 9.609 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.173 10.456 5.064 1.00 0.00 H new ATOM 650 N ALA A 44 -2.347 13.785 3.254 1.00 0.00 N ATOM 651 CA ALA A 44 -1.648 15.055 3.366 1.00 0.00 C ATOM 652 C ALA A 44 -2.064 15.748 4.665 1.00 0.00 C ATOM 653 O ALA A 44 -1.460 16.743 5.063 1.00 0.00 O ATOM 654 CB ALA A 44 -1.940 15.909 2.131 1.00 0.00 C ATOM 0 H ALA A 44 -3.253 13.836 2.788 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.570 14.898 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.416 16.861 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.600 15.385 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.012 16.090 2.059 1.00 0.00 H new ATOM 660 N SER A 45 -3.092 15.194 5.291 1.00 0.00 N ATOM 661 CA SER A 45 -3.596 15.746 6.537 1.00 0.00 C ATOM 662 C SER A 45 -3.329 14.772 7.687 1.00 0.00 C ATOM 663 O SER A 45 -3.369 15.159 8.854 1.00 0.00 O ATOM 664 CB SER A 45 -5.091 16.055 6.439 1.00 0.00 C ATOM 665 OG SER A 45 -5.357 17.450 6.553 1.00 0.00 O ATOM 0 H SER A 45 -3.590 14.368 4.958 1.00 0.00 H new ATOM 0 HA SER A 45 -3.072 16.682 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.475 15.690 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.624 15.519 7.224 1.00 0.00 H new ATOM 0 HG SER A 45 -6.322 17.606 6.484 1.00 0.00 H new ATOM 671 N LYS A 46 -3.064 13.528 7.317 1.00 0.00 N ATOM 672 CA LYS A 46 -2.791 12.496 8.302 1.00 0.00 C ATOM 673 C LYS A 46 -2.173 11.283 7.606 1.00 0.00 C ATOM 674 O LYS A 46 -1.748 11.372 6.455 1.00 0.00 O ATOM 675 CB LYS A 46 -4.055 12.169 9.100 1.00 0.00 C ATOM 676 CG LYS A 46 -3.881 12.532 10.576 1.00 0.00 C ATOM 677 CD LYS A 46 -5.229 12.548 11.299 1.00 0.00 C ATOM 678 CE LYS A 46 -5.056 12.244 12.789 1.00 0.00 C ATOM 679 NZ LYS A 46 -6.071 11.266 13.240 1.00 0.00 N ATOM 0 H LYS A 46 -3.033 13.211 6.348 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.063 12.850 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.903 12.715 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.283 11.107 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.216 11.813 11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.407 13.510 10.660 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.700 13.523 11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.896 11.812 10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.056 11.850 12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.147 13.164 13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.939 11.071 14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.022 11.656 13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.966 10.383 12.701 1.00 0.00 H new ATOM 693 N THR A 47 -2.141 10.176 8.333 1.00 0.00 N ATOM 694 CA THR A 47 -1.581 8.945 7.799 1.00 0.00 C ATOM 695 C THR A 47 -2.197 7.732 8.499 1.00 0.00 C ATOM 696 O THR A 47 -2.356 7.729 9.719 1.00 0.00 O ATOM 697 CB THR A 47 -0.059 9.019 7.937 1.00 0.00 C ATOM 698 OG1 THR A 47 0.408 7.859 7.255 1.00 0.00 O ATOM 699 CG2 THR A 47 0.408 8.817 9.380 1.00 0.00 C ATOM 0 H THR A 47 -2.494 10.105 9.287 1.00 0.00 H new ATOM 0 HA THR A 47 -1.820 8.827 6.742 1.00 0.00 H new ATOM 0 HB THR A 47 0.292 9.985 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.153 7.464 7.754 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.495 8.879 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.025 9.591 10.014 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.086 7.837 9.733 1.00 0.00 H new ATOM 707 N PRO A 48 -2.534 6.704 7.675 1.00 0.00 N ATOM 708 CA PRO A 48 -3.129 5.487 8.202 1.00 0.00 C ATOM 709 C PRO A 48 -2.079 4.624 8.906 1.00 0.00 C ATOM 710 O PRO A 48 -1.011 5.114 9.270 1.00 0.00 O ATOM 711 CB PRO A 48 -3.752 4.800 6.998 1.00 0.00 C ATOM 712 CG PRO A 48 -3.087 5.415 5.777 1.00 0.00 C ATOM 713 CD PRO A 48 -2.360 6.672 6.226 1.00 0.00 C ATOM 0 HA PRO A 48 -3.882 5.683 8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.585 3.723 7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.831 4.955 6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.388 4.710 5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.831 5.655 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.305 6.637 5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.781 7.561 5.757 1.00 0.00 H new ATOM 721 N ASP A 49 -2.420 3.355 9.076 1.00 0.00 N ATOM 722 CA ASP A 49 -1.521 2.420 9.730 1.00 0.00 C ATOM 723 C ASP A 49 -0.568 1.825 8.691 1.00 0.00 C ATOM 724 O ASP A 49 0.444 1.222 9.046 1.00 0.00 O ATOM 725 CB ASP A 49 -2.296 1.269 10.374 1.00 0.00 C ATOM 726 CG ASP A 49 -3.657 1.653 10.958 1.00 0.00 C ATOM 727 OD1 ASP A 49 -3.908 2.873 11.057 1.00 0.00 O ATOM 728 OD2 ASP A 49 -4.416 0.717 11.291 1.00 0.00 O ATOM 0 H ASP A 49 -3.307 2.953 8.772 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.974 2.962 10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.445 0.489 9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.685 0.839 11.168 1.00 0.00 H new ATOM 733 N VAL A 50 -0.924 2.016 7.430 1.00 0.00 N ATOM 734 CA VAL A 50 -0.113 1.506 6.337 1.00 0.00 C ATOM 735 C VAL A 50 -0.807 1.810 5.008 1.00 0.00 C ATOM 736 O VAL A 50 -1.963 2.229 4.988 1.00 0.00 O ATOM 737 CB VAL A 50 0.161 0.015 6.541 1.00 0.00 C ATOM 738 CG1 VAL A 50 -0.220 -0.788 5.296 1.00 0.00 C ATOM 739 CG2 VAL A 50 1.622 -0.227 6.924 1.00 0.00 C ATOM 0 H VAL A 50 -1.764 2.517 7.140 1.00 0.00 H new ATOM 0 HA VAL A 50 0.858 2.002 6.318 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.463 -0.330 7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.015 -1.845 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.281 -0.653 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.365 -0.439 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.790 -1.295 7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.272 0.142 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.847 0.299 7.852 1.00 0.00 H new ATOM 749 N LEU A 51 -0.071 1.588 3.929 1.00 0.00 N ATOM 750 CA LEU A 51 -0.600 1.833 2.598 1.00 0.00 C ATOM 751 C LEU A 51 -0.292 0.632 1.702 1.00 0.00 C ATOM 752 O LEU A 51 0.624 -0.138 1.984 1.00 0.00 O ATOM 753 CB LEU A 51 -0.075 3.161 2.049 1.00 0.00 C ATOM 754 CG LEU A 51 -1.131 4.228 1.751 1.00 0.00 C ATOM 755 CD1 LEU A 51 -1.747 4.765 3.045 1.00 0.00 C ATOM 756 CD2 LEU A 51 -0.550 5.348 0.886 1.00 0.00 C ATOM 0 H LEU A 51 0.888 1.241 3.949 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.685 1.935 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.636 3.572 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.478 2.959 1.132 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.934 3.763 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.494 5.522 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.220 3.948 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.966 5.209 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.321 6.093 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.283 5.817 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.197 4.933 -0.058 1.00 0.00 H new ATOM 768 N LEU A 52 -1.076 0.510 0.641 1.00 0.00 N ATOM 769 CA LEU A 52 -0.898 -0.585 -0.299 1.00 0.00 C ATOM 770 C LEU A 52 -1.203 -0.091 -1.714 1.00 0.00 C ATOM 771 O LEU A 52 -2.120 -0.589 -2.365 1.00 0.00 O ATOM 772 CB LEU A 52 -1.734 -1.794 0.124 1.00 0.00 C ATOM 773 CG LEU A 52 -1.333 -3.135 -0.494 1.00 0.00 C ATOM 774 CD1 LEU A 52 -0.048 -3.669 0.141 1.00 0.00 C ATOM 775 CD2 LEU A 52 -2.479 -4.145 -0.403 1.00 0.00 C ATOM 0 H LEU A 52 -1.836 1.151 0.411 1.00 0.00 H new ATOM 0 HA LEU A 52 0.137 -0.926 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.681 -1.886 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.776 -1.597 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.127 -2.975 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.215 -4.623 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.760 -2.955 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.202 -3.810 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.168 -5.090 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.740 -4.306 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.347 -3.760 -0.938 1.00 0.00 H new ATOM 787 N SER A 53 -0.417 0.883 -2.149 1.00 0.00 N ATOM 788 CA SER A 53 -0.591 1.450 -3.476 1.00 0.00 C ATOM 789 C SER A 53 -0.055 0.482 -4.533 1.00 0.00 C ATOM 790 O SER A 53 0.686 -0.445 -4.211 1.00 0.00 O ATOM 791 CB SER A 53 0.110 2.805 -3.592 1.00 0.00 C ATOM 792 OG SER A 53 -0.762 3.886 -3.272 1.00 0.00 O ATOM 0 H SER A 53 0.342 1.294 -1.606 1.00 0.00 H new ATOM 0 HA SER A 53 -1.656 1.607 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.972 2.825 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.488 2.932 -4.606 1.00 0.00 H new ATOM 0 HG SER A 53 -0.881 3.933 -2.300 1.00 0.00 H new ATOM 798 N ASP A 54 -0.452 0.732 -5.772 1.00 0.00 N ATOM 799 CA ASP A 54 -0.020 -0.106 -6.878 1.00 0.00 C ATOM 800 C ASP A 54 0.845 0.721 -7.831 1.00 0.00 C ATOM 801 O ASP A 54 1.541 1.640 -7.403 1.00 0.00 O ATOM 802 CB ASP A 54 -1.219 -0.636 -7.668 1.00 0.00 C ATOM 803 CG ASP A 54 -2.406 -1.088 -6.815 1.00 0.00 C ATOM 804 OD1 ASP A 54 -2.895 -0.245 -6.032 1.00 0.00 O ATOM 805 OD2 ASP A 54 -2.798 -2.265 -6.966 1.00 0.00 O ATOM 0 H ASP A 54 -1.067 1.502 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 54 0.541 -0.945 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.558 0.143 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.890 -1.476 -8.280 1.00 0.00 H new ATOM 810 N ILE A 55 0.773 0.364 -9.105 1.00 0.00 N ATOM 811 CA ILE A 55 1.542 1.062 -10.122 1.00 0.00 C ATOM 812 C ILE A 55 0.746 2.272 -10.615 1.00 0.00 C ATOM 813 O ILE A 55 0.594 3.256 -9.892 1.00 0.00 O ATOM 814 CB ILE A 55 1.951 0.099 -11.239 1.00 0.00 C ATOM 815 CG1 ILE A 55 0.758 -0.736 -11.708 1.00 0.00 C ATOM 816 CG2 ILE A 55 3.128 -0.777 -10.803 1.00 0.00 C ATOM 817 CD1 ILE A 55 0.638 -2.026 -10.895 1.00 0.00 C ATOM 0 H ILE A 55 0.194 -0.399 -9.456 1.00 0.00 H new ATOM 0 HA ILE A 55 2.474 1.441 -9.702 1.00 0.00 H new ATOM 0 HB ILE A 55 2.286 0.688 -12.093 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.158 -0.154 -11.611 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.872 -0.977 -12.765 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.399 -1.452 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.981 -0.144 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.843 -1.359 -9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.218 -2.601 -11.249 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.546 -2.617 -11.014 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.500 -1.781 -9.842 1.00 0.00 H new ATOM 829 N ARG A 56 0.260 2.161 -11.843 1.00 0.00 N ATOM 830 CA ARG A 56 -0.515 3.235 -12.441 1.00 0.00 C ATOM 831 C ARG A 56 0.372 4.456 -12.690 1.00 0.00 C ATOM 832 O ARG A 56 0.523 4.895 -13.829 1.00 0.00 O ATOM 833 CB ARG A 56 -1.684 3.638 -11.539 1.00 0.00 C ATOM 834 CG ARG A 56 -2.719 2.515 -11.448 1.00 0.00 C ATOM 835 CD ARG A 56 -2.314 1.479 -10.398 1.00 0.00 C ATOM 836 NE ARG A 56 -3.069 0.224 -10.607 1.00 0.00 N ATOM 837 CZ ARG A 56 -2.966 -0.541 -11.702 1.00 0.00 C ATOM 838 NH1 ARG A 56 -2.138 -0.183 -12.694 1.00 0.00 N ATOM 839 NH2 ARG A 56 -3.690 -1.664 -11.806 1.00 0.00 N ATOM 0 H ARG A 56 0.388 1.344 -12.440 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.910 2.870 -13.389 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.313 3.877 -10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.155 4.540 -11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.693 2.933 -11.194 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.823 2.032 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.244 1.284 -10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.508 1.867 -9.398 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.708 -0.078 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.587 0.672 -12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.059 -0.765 -13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.320 -1.937 -11.051 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.611 -2.246 -12.640 1.00 0.00 H new ATOM 853 N MET A 57 0.937 4.969 -11.607 1.00 0.00 N ATOM 854 CA MET A 57 1.805 6.130 -11.694 1.00 0.00 C ATOM 855 C MET A 57 2.800 5.985 -12.847 1.00 0.00 C ATOM 856 O MET A 57 2.872 4.934 -13.481 1.00 0.00 O ATOM 857 CB MET A 57 2.569 6.297 -10.378 1.00 0.00 C ATOM 858 CG MET A 57 1.634 6.134 -9.178 1.00 0.00 C ATOM 859 SD MET A 57 0.099 6.993 -9.478 1.00 0.00 S ATOM 860 CE MET A 57 -1.039 5.891 -8.655 1.00 0.00 C ATOM 0 H MET A 57 0.810 4.601 -10.664 1.00 0.00 H new ATOM 0 HA MET A 57 1.187 7.009 -11.880 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.370 5.560 -10.322 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.038 7.281 -10.348 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.439 5.076 -8.999 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.110 6.527 -8.280 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.894 5.701 -9.303 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.537 4.950 -8.431 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.382 6.349 -7.727 1.00 0.00 H new ATOM 870 N PRO A 58 3.563 7.085 -13.089 1.00 0.00 N ATOM 871 CA PRO A 58 4.551 7.090 -14.155 1.00 0.00 C ATOM 872 C PRO A 58 5.786 6.278 -13.762 1.00 0.00 C ATOM 873 O PRO A 58 5.855 5.079 -14.026 1.00 0.00 O ATOM 874 CB PRO A 58 4.859 8.559 -14.399 1.00 0.00 C ATOM 875 CG PRO A 58 4.386 9.295 -13.155 1.00 0.00 C ATOM 876 CD PRO A 58 3.505 8.347 -12.358 1.00 0.00 C ATOM 0 HA PRO A 58 4.188 6.616 -15.067 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.926 8.713 -14.562 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.345 8.924 -15.288 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.237 9.619 -12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.831 10.192 -13.430 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.870 8.231 -11.338 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.483 8.719 -12.290 1.00 0.00 H new ATOM 884 N GLY A 59 6.732 6.964 -13.136 1.00 0.00 N ATOM 885 CA GLY A 59 7.961 6.321 -12.704 1.00 0.00 C ATOM 886 C GLY A 59 8.201 5.022 -13.476 1.00 0.00 C ATOM 887 O GLY A 59 8.367 3.961 -12.877 1.00 0.00 O ATOM 0 H GLY A 59 6.672 7.959 -12.918 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.802 6.998 -12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.909 6.109 -11.636 1.00 0.00 H new ATOM 891 N MET A 60 8.212 5.149 -14.795 1.00 0.00 N ATOM 892 CA MET A 60 8.430 3.999 -15.656 1.00 0.00 C ATOM 893 C MET A 60 7.248 3.030 -15.585 1.00 0.00 C ATOM 894 O MET A 60 6.566 2.803 -16.583 1.00 0.00 O ATOM 895 CB MET A 60 9.709 3.276 -15.228 1.00 0.00 C ATOM 896 CG MET A 60 10.489 2.777 -16.446 1.00 0.00 C ATOM 897 SD MET A 60 11.930 1.866 -15.917 1.00 0.00 S ATOM 898 CE MET A 60 11.161 0.340 -15.404 1.00 0.00 C ATOM 0 H MET A 60 8.073 6.031 -15.288 1.00 0.00 H new ATOM 0 HA MET A 60 8.527 4.350 -16.683 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.334 3.950 -14.643 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.457 2.434 -14.583 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.852 2.141 -17.061 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.790 3.621 -17.066 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.038 0.341 -14.321 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.185 0.247 -15.880 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.790 -0.501 -15.697 1.00 0.00 H new ATOM 908 N ASP A 61 7.041 2.484 -14.395 1.00 0.00 N ATOM 909 CA ASP A 61 5.953 1.545 -14.181 1.00 0.00 C ATOM 910 C ASP A 61 4.896 2.191 -13.283 1.00 0.00 C ATOM 911 O ASP A 61 3.743 1.763 -13.268 1.00 0.00 O ATOM 912 CB ASP A 61 6.450 0.275 -13.488 1.00 0.00 C ATOM 913 CG ASP A 61 7.888 -0.124 -13.824 1.00 0.00 C ATOM 914 OD1 ASP A 61 8.056 -0.851 -14.827 1.00 0.00 O ATOM 915 OD2 ASP A 61 8.788 0.307 -13.071 1.00 0.00 O ATOM 0 H ASP A 61 7.609 2.674 -13.569 1.00 0.00 H new ATOM 0 HA ASP A 61 5.536 1.285 -15.154 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.369 0.412 -12.410 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.788 -0.549 -13.755 1.00 0.00 H new ATOM 920 N GLY A 62 5.328 3.212 -12.556 1.00 0.00 N ATOM 921 CA GLY A 62 4.433 3.921 -11.657 1.00 0.00 C ATOM 922 C GLY A 62 4.836 3.703 -10.197 1.00 0.00 C ATOM 923 O GLY A 62 4.016 3.290 -9.379 1.00 0.00 O ATOM 0 H GLY A 62 6.285 3.565 -12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.449 4.986 -11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.410 3.577 -11.811 1.00 0.00 H new ATOM 927 N LEU A 63 6.098 3.990 -9.916 1.00 0.00 N ATOM 928 CA LEU A 63 6.620 3.830 -8.569 1.00 0.00 C ATOM 929 C LEU A 63 7.378 5.097 -8.167 1.00 0.00 C ATOM 930 O LEU A 63 8.064 5.117 -7.146 1.00 0.00 O ATOM 931 CB LEU A 63 7.457 2.554 -8.467 1.00 0.00 C ATOM 932 CG LEU A 63 7.306 1.558 -9.619 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.845 1.134 -9.788 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.892 2.124 -10.913 1.00 0.00 C ATOM 0 H LEU A 63 6.775 4.332 -10.598 1.00 0.00 H new ATOM 0 HA LEU A 63 5.805 3.706 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.507 2.837 -8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.198 2.046 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 63 7.875 0.662 -9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.765 0.426 -10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.494 0.663 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.234 2.011 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.772 1.396 -11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.371 3.044 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.952 2.335 -10.771 1.00 0.00 H new ATOM 946 N ALA A 64 7.230 6.124 -8.991 1.00 0.00 N ATOM 947 CA ALA A 64 7.893 7.391 -8.734 1.00 0.00 C ATOM 948 C ALA A 64 7.075 8.193 -7.720 1.00 0.00 C ATOM 949 O ALA A 64 7.615 8.681 -6.728 1.00 0.00 O ATOM 950 CB ALA A 64 8.085 8.144 -10.052 1.00 0.00 C ATOM 0 H ALA A 64 6.661 6.104 -9.837 1.00 0.00 H new ATOM 0 HA ALA A 64 8.881 7.226 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.582 9.094 -9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.696 7.545 -10.727 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.113 8.329 -10.510 1.00 0.00 H new ATOM 956 N LEU A 65 5.785 8.304 -8.002 1.00 0.00 N ATOM 957 CA LEU A 65 4.887 9.038 -7.127 1.00 0.00 C ATOM 958 C LEU A 65 5.201 8.687 -5.671 1.00 0.00 C ATOM 959 O LEU A 65 4.912 9.466 -4.765 1.00 0.00 O ATOM 960 CB LEU A 65 3.430 8.786 -7.520 1.00 0.00 C ATOM 961 CG LEU A 65 2.452 9.929 -7.240 1.00 0.00 C ATOM 962 CD1 LEU A 65 2.249 10.793 -8.486 1.00 0.00 C ATOM 963 CD2 LEU A 65 1.128 9.395 -6.690 1.00 0.00 C ATOM 0 H LEU A 65 5.340 7.897 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 65 5.041 10.111 -7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.396 8.558 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.081 7.898 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 65 2.885 10.569 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.550 11.598 -8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.204 11.218 -8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.848 10.179 -9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.451 10.228 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.677 8.720 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.311 8.856 -5.760 1.00 0.00 H new ATOM 975 N LEU A 66 5.789 7.513 -5.493 1.00 0.00 N ATOM 976 CA LEU A 66 6.146 7.049 -4.163 1.00 0.00 C ATOM 977 C LEU A 66 6.581 8.243 -3.310 1.00 0.00 C ATOM 978 O LEU A 66 6.233 8.330 -2.134 1.00 0.00 O ATOM 979 CB LEU A 66 7.194 5.938 -4.246 1.00 0.00 C ATOM 980 CG LEU A 66 6.676 4.511 -4.054 1.00 0.00 C ATOM 981 CD1 LEU A 66 5.417 4.268 -4.887 1.00 0.00 C ATOM 982 CD2 LEU A 66 7.771 3.486 -4.356 1.00 0.00 C ATOM 0 H LEU A 66 6.027 6.869 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 66 5.282 6.603 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.682 5.998 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.959 6.130 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 66 6.398 4.386 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.070 3.246 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.638 4.966 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.645 4.418 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.377 2.480 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.103 3.602 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.614 3.645 -3.684 1.00 0.00 H new ATOM 994 N LYS A 67 7.335 9.133 -3.938 1.00 0.00 N ATOM 995 CA LYS A 67 7.821 10.318 -3.251 1.00 0.00 C ATOM 996 C LYS A 67 6.744 10.823 -2.289 1.00 0.00 C ATOM 997 O LYS A 67 6.986 10.944 -1.089 1.00 0.00 O ATOM 998 CB LYS A 67 8.285 11.370 -4.261 1.00 0.00 C ATOM 999 CG LYS A 67 7.472 11.284 -5.555 1.00 0.00 C ATOM 1000 CD LYS A 67 7.166 12.679 -6.103 1.00 0.00 C ATOM 1001 CE LYS A 67 7.167 12.679 -7.633 1.00 0.00 C ATOM 1002 NZ LYS A 67 7.312 14.058 -8.151 1.00 0.00 N ATOM 0 H LYS A 67 7.621 9.058 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 67 8.698 10.077 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.182 12.365 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.343 11.226 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.025 10.710 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.540 10.750 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.195 13.013 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.907 13.389 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.983 12.058 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.240 12.241 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.311 14.040 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.519 14.641 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.208 14.463 -7.813 1.00 0.00 H new ATOM 1016 N GLN A 68 5.578 11.103 -2.851 1.00 0.00 N ATOM 1017 CA GLN A 68 4.463 11.592 -2.058 1.00 0.00 C ATOM 1018 C GLN A 68 4.196 10.652 -0.881 1.00 0.00 C ATOM 1019 O GLN A 68 4.031 11.101 0.252 1.00 0.00 O ATOM 1020 CB GLN A 68 3.210 11.762 -2.919 1.00 0.00 C ATOM 1021 CG GLN A 68 3.144 13.167 -3.520 1.00 0.00 C ATOM 1022 CD GLN A 68 2.921 13.107 -5.033 1.00 0.00 C ATOM 1023 OE1 GLN A 68 3.866 12.442 -5.693 1.00 0.00 O flip ATOM 1024 NE2 GLN A 68 1.956 13.629 -5.566 1.00 0.00 N flip ATOM 0 H GLN A 68 5.381 11.001 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 68 4.727 12.573 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.210 11.021 -3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.322 11.579 -2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.336 13.729 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.070 13.702 -3.306 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.267 14.125 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.838 13.570 -6.577 1.00 0.00 H new ATOM 1033 N ILE A 69 4.162 9.364 -1.190 1.00 0.00 N ATOM 1034 CA ILE A 69 3.918 8.356 -0.172 1.00 0.00 C ATOM 1035 C ILE A 69 4.868 8.586 1.005 1.00 0.00 C ATOM 1036 O ILE A 69 4.431 8.938 2.100 1.00 0.00 O ATOM 1037 CB ILE A 69 4.014 6.953 -0.774 1.00 0.00 C ATOM 1038 CG1 ILE A 69 3.004 6.773 -1.909 1.00 0.00 C ATOM 1039 CG2 ILE A 69 3.858 5.881 0.307 1.00 0.00 C ATOM 1040 CD1 ILE A 69 1.585 7.100 -1.438 1.00 0.00 C ATOM 0 H ILE A 69 4.299 8.995 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 69 2.903 8.443 0.215 1.00 0.00 H new ATOM 0 HB ILE A 69 5.008 6.834 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.272 7.420 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.042 5.747 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.930 4.893 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.646 5.997 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.886 5.989 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.887 6.964 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.311 6.435 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.545 8.134 -1.095 1.00 0.00 H new ATOM 1052 N LYS A 70 6.149 8.379 0.740 1.00 0.00 N ATOM 1053 CA LYS A 70 7.164 8.559 1.764 1.00 0.00 C ATOM 1054 C LYS A 70 7.088 9.988 2.305 1.00 0.00 C ATOM 1055 O LYS A 70 7.204 10.207 3.510 1.00 0.00 O ATOM 1056 CB LYS A 70 8.544 8.179 1.224 1.00 0.00 C ATOM 1057 CG LYS A 70 9.210 7.127 2.113 1.00 0.00 C ATOM 1058 CD LYS A 70 10.214 7.774 3.069 1.00 0.00 C ATOM 1059 CE LYS A 70 11.635 7.278 2.790 1.00 0.00 C ATOM 1060 NZ LYS A 70 12.254 8.067 1.702 1.00 0.00 N ATOM 0 H LYS A 70 6.508 8.088 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 70 6.981 7.889 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.448 7.794 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.174 9.067 1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.450 6.594 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.717 6.389 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.176 8.858 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.941 7.545 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.239 7.358 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.611 6.224 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.894 7.459 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.511 8.440 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.793 8.858 2.110 1.00 0.00 H new ATOM 1074 N GLN A 71 6.894 10.925 1.388 1.00 0.00 N ATOM 1075 CA GLN A 71 6.801 12.327 1.757 1.00 0.00 C ATOM 1076 C GLN A 71 5.600 12.555 2.676 1.00 0.00 C ATOM 1077 O GLN A 71 5.571 13.520 3.439 1.00 0.00 O ATOM 1078 CB GLN A 71 6.719 13.217 0.516 1.00 0.00 C ATOM 1079 CG GLN A 71 6.946 14.686 0.878 1.00 0.00 C ATOM 1080 CD GLN A 71 5.870 15.577 0.254 1.00 0.00 C ATOM 1081 OE1 GLN A 71 4.626 15.171 0.492 1.00 0.00 O flip ATOM 1082 NE2 GLN A 71 6.151 16.568 -0.399 1.00 0.00 N flip ATOM 0 H GLN A 71 6.799 10.740 0.389 1.00 0.00 H new ATOM 0 HA GLN A 71 7.706 12.600 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.464 12.899 -0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.743 13.102 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.936 14.803 1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.930 15.002 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.128 16.823 -0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.409 17.141 -0.800 1.00 0.00 H new ATOM 1091 N ARG A 72 4.637 11.651 2.574 1.00 0.00 N ATOM 1092 CA ARG A 72 3.436 11.741 3.387 1.00 0.00 C ATOM 1093 C ARG A 72 3.568 10.858 4.629 1.00 0.00 C ATOM 1094 O ARG A 72 3.271 11.295 5.740 1.00 0.00 O ATOM 1095 CB ARG A 72 2.200 11.312 2.593 1.00 0.00 C ATOM 1096 CG ARG A 72 1.396 12.528 2.130 1.00 0.00 C ATOM 1097 CD ARG A 72 2.268 13.485 1.316 1.00 0.00 C ATOM 1098 NE ARG A 72 2.737 14.596 2.174 1.00 0.00 N ATOM 1099 CZ ARG A 72 2.107 15.773 2.289 1.00 0.00 C ATOM 1100 NH1 ARG A 72 0.978 15.999 1.603 1.00 0.00 N ATOM 1101 NH2 ARG A 72 2.605 16.724 3.092 1.00 0.00 N ATOM 0 H ARG A 72 4.664 10.852 1.940 1.00 0.00 H new ATOM 0 HA ARG A 72 3.317 12.782 3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.505 10.723 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.572 10.670 3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.549 12.200 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.988 13.050 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.122 12.949 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.700 13.880 0.473 1.00 0.00 H new ATOM 0 HE ARG A 72 3.593 14.457 2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.598 15.275 0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.499 16.895 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.463 16.552 3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.126 17.620 3.180 1.00 0.00 H new ATOM 1115 N HIS A 73 4.013 9.631 4.400 1.00 0.00 N ATOM 1116 CA HIS A 73 4.187 8.683 5.487 1.00 0.00 C ATOM 1117 C HIS A 73 5.565 8.027 5.379 1.00 0.00 C ATOM 1118 O HIS A 73 5.668 6.837 5.084 1.00 0.00 O ATOM 1119 CB HIS A 73 3.046 7.665 5.509 1.00 0.00 C ATOM 1120 CG HIS A 73 2.666 7.138 4.145 1.00 0.00 C ATOM 1121 ND1 HIS A 73 2.365 7.794 2.988 1.00 0.00 N flip ATOM 1122 CD2 HIS A 73 2.564 5.787 3.866 1.00 0.00 C flip ATOM 1123 CE1 HIS A 73 2.095 6.893 2.052 1.00 0.00 C flip ATOM 1124 NE2 HIS A 73 2.218 5.647 2.595 1.00 0.00 N flip ATOM 0 H HIS A 73 4.258 9.272 3.477 1.00 0.00 H new ATOM 0 HA HIS A 73 4.146 9.207 6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.333 6.827 6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.170 8.126 5.966 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.350 8.806 2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.737 4.983 4.566 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.823 7.110 1.030 1.00 0.00 H new ATOM 1132 N PRO A 74 6.616 8.852 5.629 1.00 0.00 N ATOM 1133 CA PRO A 74 7.984 8.364 5.563 1.00 0.00 C ATOM 1134 C PRO A 74 8.320 7.508 6.785 1.00 0.00 C ATOM 1135 O PRO A 74 9.167 7.882 7.595 1.00 0.00 O ATOM 1136 CB PRO A 74 8.843 9.614 5.458 1.00 0.00 C ATOM 1137 CG PRO A 74 7.968 10.762 5.936 1.00 0.00 C ATOM 1138 CD PRO A 74 6.532 10.267 5.981 1.00 0.00 C ATOM 0 HA PRO A 74 8.156 7.707 4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.740 9.525 6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.174 9.776 4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.286 11.099 6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.057 11.615 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.097 10.404 6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.903 10.813 5.278 1.00 0.00 H new ATOM 1146 N MET A 75 7.639 6.375 6.880 1.00 0.00 N ATOM 1147 CA MET A 75 7.855 5.463 7.990 1.00 0.00 C ATOM 1148 C MET A 75 6.927 4.250 7.891 1.00 0.00 C ATOM 1149 O MET A 75 7.296 3.148 8.294 1.00 0.00 O ATOM 1150 CB MET A 75 7.601 6.194 9.309 1.00 0.00 C ATOM 1151 CG MET A 75 7.613 5.219 10.488 1.00 0.00 C ATOM 1152 SD MET A 75 8.203 6.044 11.957 1.00 0.00 S ATOM 1153 CE MET A 75 9.888 5.457 11.987 1.00 0.00 C ATOM 0 H MET A 75 6.937 6.068 6.206 1.00 0.00 H new ATOM 0 HA MET A 75 8.886 5.112 7.952 1.00 0.00 H new ATOM 0 HB2 MET A 75 8.363 6.959 9.457 1.00 0.00 H new ATOM 0 HB3 MET A 75 6.640 6.706 9.266 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.609 4.829 10.658 1.00 0.00 H new ATOM 0 HG3 MET A 75 8.252 4.366 10.259 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.405 5.879 12.849 1.00 0.00 H new ATOM 0 HE2 MET A 75 9.893 4.369 12.058 1.00 0.00 H new ATOM 0 HE3 MET A 75 10.396 5.763 11.073 1.00 0.00 H new ATOM 1163 N LEU A 76 5.741 4.495 7.354 1.00 0.00 N ATOM 1164 CA LEU A 76 4.758 3.436 7.197 1.00 0.00 C ATOM 1165 C LEU A 76 5.392 2.264 6.446 1.00 0.00 C ATOM 1166 O LEU A 76 6.049 2.459 5.424 1.00 0.00 O ATOM 1167 CB LEU A 76 3.490 3.977 6.534 1.00 0.00 C ATOM 1168 CG LEU A 76 2.258 4.088 7.435 1.00 0.00 C ATOM 1169 CD1 LEU A 76 2.560 4.930 8.676 1.00 0.00 C ATOM 1170 CD2 LEU A 76 1.056 4.627 6.656 1.00 0.00 C ATOM 0 H LEU A 76 5.438 5.411 7.022 1.00 0.00 H new ATOM 0 HA LEU A 76 4.446 3.059 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.709 4.965 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.242 3.333 5.690 1.00 0.00 H new ATOM 0 HG LEU A 76 1.996 3.088 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.668 4.993 9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.367 4.466 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.861 5.932 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.194 4.696 7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.291 5.616 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.826 3.953 5.831 1.00 0.00 H new ATOM 1182 N PRO A 77 5.168 1.040 6.996 1.00 0.00 N ATOM 1183 CA PRO A 77 5.710 -0.164 6.389 1.00 0.00 C ATOM 1184 C PRO A 77 4.925 -0.546 5.133 1.00 0.00 C ATOM 1185 O PRO A 77 4.412 -1.659 5.032 1.00 0.00 O ATOM 1186 CB PRO A 77 5.639 -1.220 7.479 1.00 0.00 C ATOM 1187 CG PRO A 77 4.638 -0.700 8.499 1.00 0.00 C ATOM 1188 CD PRO A 77 4.396 0.772 8.205 1.00 0.00 C ATOM 0 HA PRO A 77 6.736 -0.036 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.320 -2.180 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.616 -1.376 7.936 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.705 -1.260 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.022 -0.829 9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.336 0.976 8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.725 1.400 9.033 1.00 0.00 H new ATOM 1196 N VAL A 78 4.855 0.399 4.207 1.00 0.00 N ATOM 1197 CA VAL A 78 4.141 0.175 2.962 1.00 0.00 C ATOM 1198 C VAL A 78 4.833 -0.939 2.175 1.00 0.00 C ATOM 1199 O VAL A 78 6.049 -1.104 2.264 1.00 0.00 O ATOM 1200 CB VAL A 78 4.035 1.484 2.177 1.00 0.00 C ATOM 1201 CG1 VAL A 78 3.603 1.224 0.732 1.00 0.00 C ATOM 1202 CG2 VAL A 78 3.081 2.461 2.866 1.00 0.00 C ATOM 0 H VAL A 78 5.281 1.322 4.294 1.00 0.00 H new ATOM 0 HA VAL A 78 3.121 -0.153 3.161 1.00 0.00 H new ATOM 0 HB VAL A 78 5.024 1.941 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.535 2.171 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.336 0.582 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.630 0.734 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.024 3.383 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.089 2.014 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.449 2.683 3.868 1.00 0.00 H new ATOM 1212 N ILE A 79 4.030 -1.676 1.422 1.00 0.00 N ATOM 1213 CA ILE A 79 4.550 -2.770 0.620 1.00 0.00 C ATOM 1214 C ILE A 79 4.297 -2.477 -0.860 1.00 0.00 C ATOM 1215 O ILE A 79 5.224 -2.503 -1.669 1.00 0.00 O ATOM 1216 CB ILE A 79 3.967 -4.104 1.091 1.00 0.00 C ATOM 1217 CG1 ILE A 79 4.026 -4.221 2.615 1.00 0.00 C ATOM 1218 CG2 ILE A 79 4.659 -5.280 0.398 1.00 0.00 C ATOM 1219 CD1 ILE A 79 2.635 -4.473 3.200 1.00 0.00 C ATOM 0 H ILE A 79 3.022 -1.537 1.350 1.00 0.00 H new ATOM 0 HA ILE A 79 5.629 -2.857 0.748 1.00 0.00 H new ATOM 0 HB ILE A 79 2.915 -4.136 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.695 -5.035 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.442 -3.306 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.226 -6.216 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.521 -5.200 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.724 -5.263 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.705 -4.552 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.975 -3.646 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.232 -5.401 2.794 1.00 0.00 H new ATOM 1231 N ILE A 80 3.038 -2.204 -1.170 1.00 0.00 N ATOM 1232 CA ILE A 80 2.652 -1.906 -2.539 1.00 0.00 C ATOM 1233 C ILE A 80 2.692 -3.192 -3.367 1.00 0.00 C ATOM 1234 O ILE A 80 3.342 -4.162 -2.982 1.00 0.00 O ATOM 1235 CB ILE A 80 3.520 -0.781 -3.107 1.00 0.00 C ATOM 1236 CG1 ILE A 80 2.831 0.576 -2.949 1.00 0.00 C ATOM 1237 CG2 ILE A 80 3.900 -1.064 -4.562 1.00 0.00 C ATOM 1238 CD1 ILE A 80 2.859 1.362 -4.261 1.00 0.00 C ATOM 0 H ILE A 80 2.272 -2.183 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 80 1.627 -1.536 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 80 4.446 -0.741 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.799 0.429 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.327 1.150 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.517 -0.250 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.459 -1.998 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.996 -1.146 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.363 2.322 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.893 1.529 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.341 0.796 -5.035 1.00 0.00 H new ATOM 1250 N MET A 81 1.989 -3.157 -4.489 1.00 0.00 N ATOM 1251 CA MET A 81 1.936 -4.308 -5.375 1.00 0.00 C ATOM 1252 C MET A 81 2.759 -4.063 -6.641 1.00 0.00 C ATOM 1253 O MET A 81 2.923 -2.922 -7.068 1.00 0.00 O ATOM 1254 CB MET A 81 0.482 -4.591 -5.758 1.00 0.00 C ATOM 1255 CG MET A 81 -0.406 -4.676 -4.514 1.00 0.00 C ATOM 1256 SD MET A 81 -1.940 -3.809 -4.799 1.00 0.00 S ATOM 1257 CE MET A 81 -1.435 -2.145 -4.397 1.00 0.00 C ATOM 0 H MET A 81 1.451 -2.350 -4.805 1.00 0.00 H new ATOM 0 HA MET A 81 2.357 -5.166 -4.851 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.116 -3.804 -6.417 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.424 -5.526 -6.315 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.608 -5.719 -4.272 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.112 -4.244 -3.657 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.316 -1.537 -4.192 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.793 -2.162 -3.516 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.887 -1.718 -5.237 1.00 0.00 H new ATOM 1267 N THR A 82 3.254 -5.155 -7.207 1.00 0.00 N ATOM 1268 CA THR A 82 4.056 -5.073 -8.416 1.00 0.00 C ATOM 1269 C THR A 82 3.775 -6.272 -9.324 1.00 0.00 C ATOM 1270 O THR A 82 3.264 -7.294 -8.869 1.00 0.00 O ATOM 1271 CB THR A 82 5.524 -4.955 -8.002 1.00 0.00 C ATOM 1272 OG1 THR A 82 5.820 -6.217 -7.409 1.00 0.00 O ATOM 1273 CG2 THR A 82 5.734 -3.952 -6.867 1.00 0.00 C ATOM 0 H THR A 82 3.115 -6.101 -6.851 1.00 0.00 H new ATOM 0 HA THR A 82 3.797 -4.192 -9.004 1.00 0.00 H new ATOM 0 HB THR A 82 6.121 -4.657 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.139 -6.431 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.793 -3.907 -6.612 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.395 -2.966 -7.185 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.164 -4.267 -5.993 1.00 0.00 H new ATOM 1281 N ALA A 83 4.120 -6.106 -10.592 1.00 0.00 N ATOM 1282 CA ALA A 83 3.912 -7.162 -11.569 1.00 0.00 C ATOM 1283 C ALA A 83 5.253 -7.821 -11.896 1.00 0.00 C ATOM 1284 O ALA A 83 5.525 -8.142 -13.051 1.00 0.00 O ATOM 1285 CB ALA A 83 3.229 -6.583 -12.809 1.00 0.00 C ATOM 0 H ALA A 83 4.542 -5.256 -10.966 1.00 0.00 H new ATOM 0 HA ALA A 83 3.256 -7.933 -11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.073 -7.375 -13.542 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.267 -6.154 -12.528 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.859 -5.807 -13.243 1.00 0.00 H new ATOM 1291 N HIS A 84 6.056 -8.002 -10.858 1.00 0.00 N ATOM 1292 CA HIS A 84 7.363 -8.616 -11.020 1.00 0.00 C ATOM 1293 C HIS A 84 8.321 -7.619 -11.675 1.00 0.00 C ATOM 1294 O HIS A 84 9.369 -7.302 -11.116 1.00 0.00 O ATOM 1295 CB HIS A 84 7.252 -9.930 -11.797 1.00 0.00 C ATOM 1296 CG HIS A 84 6.263 -10.909 -11.211 1.00 0.00 C ATOM 1297 ND1 HIS A 84 4.939 -10.768 -10.915 1.00 0.00 N flip ATOM 1298 CD2 HIS A 84 6.605 -12.204 -10.863 1.00 0.00 C flip ATOM 1299 CE1 HIS A 84 4.496 -11.915 -10.415 1.00 0.00 C flip ATOM 1300 NE2 HIS A 84 5.528 -12.806 -10.381 1.00 0.00 N flip ATOM 0 H HIS A 84 5.827 -7.734 -9.901 1.00 0.00 H new ATOM 0 HA HIS A 84 7.773 -8.872 -10.043 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.963 -9.709 -12.825 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.234 -10.401 -11.836 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.584 -12.648 -10.967 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.485 -12.110 -10.089 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.479 -13.767 -10.044 1.00 0.00 H new ATOM 1308 N SER A 85 7.927 -7.153 -12.851 1.00 0.00 N ATOM 1309 CA SER A 85 8.737 -6.199 -13.588 1.00 0.00 C ATOM 1310 C SER A 85 8.515 -4.789 -13.037 1.00 0.00 C ATOM 1311 O SER A 85 9.043 -3.817 -13.577 1.00 0.00 O ATOM 1312 CB SER A 85 8.416 -6.242 -15.083 1.00 0.00 C ATOM 1313 OG SER A 85 9.531 -6.676 -15.856 1.00 0.00 O ATOM 0 H SER A 85 7.057 -7.419 -13.312 1.00 0.00 H new ATOM 0 HA SER A 85 9.785 -6.471 -13.462 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.574 -6.912 -15.254 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.108 -5.251 -15.416 1.00 0.00 H new ATOM 0 HG SER A 85 9.285 -6.692 -16.805 1.00 0.00 H new ATOM 1319 N ASP A 86 7.733 -4.721 -11.970 1.00 0.00 N ATOM 1320 CA ASP A 86 7.435 -3.446 -11.340 1.00 0.00 C ATOM 1321 C ASP A 86 7.954 -3.459 -9.901 1.00 0.00 C ATOM 1322 O ASP A 86 7.514 -2.664 -9.071 1.00 0.00 O ATOM 1323 CB ASP A 86 5.927 -3.192 -11.297 1.00 0.00 C ATOM 1324 CG ASP A 86 5.166 -3.604 -12.558 1.00 0.00 C ATOM 1325 OD1 ASP A 86 5.689 -4.484 -13.275 1.00 0.00 O ATOM 1326 OD2 ASP A 86 4.077 -3.030 -12.777 1.00 0.00 O ATOM 0 H ASP A 86 7.296 -5.529 -11.525 1.00 0.00 H new ATOM 0 HA ASP A 86 7.916 -2.661 -11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.507 -3.729 -10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.758 -2.130 -11.119 1.00 0.00 H new ATOM 1331 N LEU A 87 8.882 -4.370 -9.648 1.00 0.00 N ATOM 1332 CA LEU A 87 9.465 -4.497 -8.323 1.00 0.00 C ATOM 1333 C LEU A 87 10.904 -3.977 -8.353 1.00 0.00 C ATOM 1334 O LEU A 87 11.433 -3.546 -7.329 1.00 0.00 O ATOM 1335 CB LEU A 87 9.341 -5.936 -7.819 1.00 0.00 C ATOM 1336 CG LEU A 87 9.964 -6.223 -6.451 1.00 0.00 C ATOM 1337 CD1 LEU A 87 9.736 -5.056 -5.489 1.00 0.00 C ATOM 1338 CD2 LEU A 87 9.448 -7.546 -5.881 1.00 0.00 C ATOM 0 H LEU A 87 9.245 -5.028 -10.338 1.00 0.00 H new ATOM 0 HA LEU A 87 8.919 -3.885 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.283 -6.195 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.802 -6.598 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 87 11.041 -6.327 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.189 -5.286 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.191 -4.154 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.666 -4.896 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.906 -7.727 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.365 -7.496 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.705 -8.359 -6.560 1.00 0.00 H new ATOM 1350 N ASP A 88 11.497 -4.036 -9.536 1.00 0.00 N ATOM 1351 CA ASP A 88 12.864 -3.577 -9.712 1.00 0.00 C ATOM 1352 C ASP A 88 12.927 -2.069 -9.462 1.00 0.00 C ATOM 1353 O ASP A 88 14.011 -1.503 -9.331 1.00 0.00 O ATOM 1354 CB ASP A 88 13.354 -3.840 -11.137 1.00 0.00 C ATOM 1355 CG ASP A 88 14.710 -4.542 -11.235 1.00 0.00 C ATOM 1356 OD1 ASP A 88 14.921 -5.482 -10.438 1.00 0.00 O ATOM 1357 OD2 ASP A 88 15.505 -4.123 -12.104 1.00 0.00 O ATOM 0 H ASP A 88 11.055 -4.395 -10.383 1.00 0.00 H new ATOM 0 HA ASP A 88 13.495 -4.119 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.610 -4.445 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.415 -2.889 -11.666 1.00 0.00 H new ATOM 1362 N ALA A 89 11.751 -1.461 -9.403 1.00 0.00 N ATOM 1363 CA ALA A 89 11.659 -0.030 -9.171 1.00 0.00 C ATOM 1364 C ALA A 89 11.226 0.221 -7.725 1.00 0.00 C ATOM 1365 O ALA A 89 11.288 1.351 -7.242 1.00 0.00 O ATOM 1366 CB ALA A 89 10.696 0.592 -10.184 1.00 0.00 C ATOM 0 H ALA A 89 10.854 -1.934 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 89 12.630 0.444 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.628 1.666 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.064 0.412 -11.194 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.709 0.143 -10.072 1.00 0.00 H new ATOM 1372 N ALA A 90 10.797 -0.850 -7.075 1.00 0.00 N ATOM 1373 CA ALA A 90 10.353 -0.761 -5.694 1.00 0.00 C ATOM 1374 C ALA A 90 11.406 -1.393 -4.783 1.00 0.00 C ATOM 1375 O ALA A 90 11.521 -1.027 -3.614 1.00 0.00 O ATOM 1376 CB ALA A 90 8.983 -1.428 -5.554 1.00 0.00 C ATOM 0 H ALA A 90 10.747 -1.785 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 90 10.240 0.281 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.650 -1.361 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.265 -0.923 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.057 -2.476 -5.844 1.00 0.00 H new ATOM 1382 N VAL A 91 12.148 -2.332 -5.352 1.00 0.00 N ATOM 1383 CA VAL A 91 13.188 -3.019 -4.605 1.00 0.00 C ATOM 1384 C VAL A 91 14.507 -2.258 -4.757 1.00 0.00 C ATOM 1385 O VAL A 91 15.336 -2.257 -3.849 1.00 0.00 O ATOM 1386 CB VAL A 91 13.283 -4.476 -5.059 1.00 0.00 C ATOM 1387 CG1 VAL A 91 14.740 -4.942 -5.109 1.00 0.00 C ATOM 1388 CG2 VAL A 91 12.447 -5.387 -4.157 1.00 0.00 C ATOM 0 H VAL A 91 12.050 -2.633 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 91 12.945 -3.039 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 91 12.877 -4.539 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.779 -5.981 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.297 -4.321 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.184 -4.856 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.532 -6.418 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.810 -5.316 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.403 -5.077 -4.194 1.00 0.00 H new ATOM 1398 N SER A 92 14.660 -1.629 -5.914 1.00 0.00 N ATOM 1399 CA SER A 92 15.864 -0.867 -6.197 1.00 0.00 C ATOM 1400 C SER A 92 15.497 0.571 -6.568 1.00 0.00 C ATOM 1401 O SER A 92 15.701 0.994 -7.706 1.00 0.00 O ATOM 1402 CB SER A 92 16.675 -1.515 -7.322 1.00 0.00 C ATOM 1403 OG SER A 92 18.058 -1.182 -7.243 1.00 0.00 O ATOM 0 H SER A 92 13.970 -1.632 -6.665 1.00 0.00 H new ATOM 0 HA SER A 92 16.482 -0.858 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.560 -2.598 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.279 -1.194 -8.286 1.00 0.00 H new ATOM 0 HG SER A 92 18.541 -1.616 -7.977 1.00 0.00 H new ATOM 1409 N ALA A 93 14.962 1.284 -5.588 1.00 0.00 N ATOM 1410 CA ALA A 93 14.565 2.666 -5.797 1.00 0.00 C ATOM 1411 C ALA A 93 13.931 3.209 -4.515 1.00 0.00 C ATOM 1412 O ALA A 93 12.800 3.694 -4.535 1.00 0.00 O ATOM 1413 CB ALA A 93 13.619 2.749 -6.997 1.00 0.00 C ATOM 0 H ALA A 93 14.794 0.930 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 93 15.433 3.285 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.321 3.786 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.127 2.379 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.734 2.142 -6.805 1.00 0.00 H new ATOM 1419 N TYR A 94 14.686 3.111 -3.431 1.00 0.00 N ATOM 1420 CA TYR A 94 14.212 3.587 -2.143 1.00 0.00 C ATOM 1421 C TYR A 94 15.381 3.841 -1.188 1.00 0.00 C ATOM 1422 O TYR A 94 16.354 3.089 -1.179 1.00 0.00 O ATOM 1423 CB TYR A 94 13.339 2.466 -1.575 1.00 0.00 C ATOM 1424 CG TYR A 94 12.326 2.936 -0.530 1.00 0.00 C ATOM 1425 CD1 TYR A 94 12.716 3.106 0.783 1.00 0.00 C ATOM 1426 CD2 TYR A 94 11.021 3.190 -0.900 1.00 0.00 C ATOM 1427 CE1 TYR A 94 11.762 3.549 1.767 1.00 0.00 C ATOM 1428 CE2 TYR A 94 10.066 3.633 0.084 1.00 0.00 C ATOM 1429 CZ TYR A 94 10.484 3.790 1.369 1.00 0.00 C ATOM 1430 OH TYR A 94 9.583 4.208 2.298 1.00 0.00 O ATOM 0 H TYR A 94 15.623 2.709 -3.418 1.00 0.00 H new ATOM 0 HA TYR A 94 13.668 4.524 -2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.804 1.985 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 94 13.983 1.709 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 94 13.737 2.907 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 94 10.715 3.057 -1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.055 3.687 2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.042 3.836 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 94 8.959 3.480 2.499 1.00 0.00 H new ATOM 1440 N GLN A 95 15.246 4.903 -0.408 1.00 0.00 N ATOM 1441 CA GLN A 95 16.278 5.266 0.548 1.00 0.00 C ATOM 1442 C GLN A 95 16.424 4.175 1.610 1.00 0.00 C ATOM 1443 O GLN A 95 17.339 3.356 1.543 1.00 0.00 O ATOM 1444 CB GLN A 95 15.978 6.621 1.191 1.00 0.00 C ATOM 1445 CG GLN A 95 17.015 7.667 0.774 1.00 0.00 C ATOM 1446 CD GLN A 95 16.747 9.008 1.461 1.00 0.00 C ATOM 1447 OE1 GLN A 95 15.633 9.330 1.839 1.00 0.00 O ATOM 1448 NE2 GLN A 95 17.829 9.769 1.600 1.00 0.00 N ATOM 0 H GLN A 95 14.437 5.524 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 95 17.225 5.356 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 95 14.982 6.954 0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 95 15.974 6.520 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 95 18.015 7.316 1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 95 16.991 7.797 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 95 18.732 9.438 1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 95 17.756 10.683 2.046 1.00 0.00 H new ATOM 1457 N GLN A 96 15.508 4.200 2.567 1.00 0.00 N ATOM 1458 CA GLN A 96 15.523 3.223 3.643 1.00 0.00 C ATOM 1459 C GLN A 96 14.743 1.972 3.235 1.00 0.00 C ATOM 1460 O GLN A 96 13.693 1.677 3.803 1.00 0.00 O ATOM 1461 CB GLN A 96 14.962 3.821 4.935 1.00 0.00 C ATOM 1462 CG GLN A 96 16.000 3.772 6.058 1.00 0.00 C ATOM 1463 CD GLN A 96 17.120 4.787 5.814 1.00 0.00 C ATOM 1464 OE1 GLN A 96 18.091 4.524 5.124 1.00 0.00 O ATOM 1465 NE2 GLN A 96 16.931 5.956 6.419 1.00 0.00 N ATOM 0 H GLN A 96 14.751 4.881 2.620 1.00 0.00 H new ATOM 0 HA GLN A 96 16.558 2.937 3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 96 14.658 4.853 4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.069 3.273 5.236 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.518 3.980 7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.421 2.769 6.125 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.095 6.109 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.622 6.699 6.320 1.00 0.00 H new ATOM 1474 N GLY A 97 15.288 1.268 2.253 1.00 0.00 N ATOM 1475 CA GLY A 97 14.656 0.055 1.762 1.00 0.00 C ATOM 1476 C GLY A 97 14.255 -0.861 2.919 1.00 0.00 C ATOM 1477 O GLY A 97 15.088 -1.217 3.752 1.00 0.00 O ATOM 0 H GLY A 97 16.160 1.515 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.774 0.312 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.340 -0.472 1.097 1.00 0.00 H new ATOM 1481 N ALA A 98 12.979 -1.217 2.935 1.00 0.00 N ATOM 1482 CA ALA A 98 12.457 -2.085 3.977 1.00 0.00 C ATOM 1483 C ALA A 98 11.038 -2.521 3.608 1.00 0.00 C ATOM 1484 O ALA A 98 10.182 -2.665 4.480 1.00 0.00 O ATOM 1485 CB ALA A 98 12.512 -1.359 5.322 1.00 0.00 C ATOM 0 H ALA A 98 12.291 -0.920 2.243 1.00 0.00 H new ATOM 0 HA ALA A 98 13.066 -2.985 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.120 -2.010 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.545 -1.097 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.910 -0.452 5.271 1.00 0.00 H new ATOM 1491 N PHE A 99 10.831 -2.719 2.314 1.00 0.00 N ATOM 1492 CA PHE A 99 9.530 -3.136 1.819 1.00 0.00 C ATOM 1493 C PHE A 99 9.571 -4.581 1.317 1.00 0.00 C ATOM 1494 O PHE A 99 10.561 -5.283 1.518 1.00 0.00 O ATOM 1495 CB PHE A 99 9.180 -2.213 0.650 1.00 0.00 C ATOM 1496 CG PHE A 99 8.566 -0.877 1.074 1.00 0.00 C ATOM 1497 CD1 PHE A 99 9.062 -0.212 2.152 1.00 0.00 C ATOM 1498 CD2 PHE A 99 7.524 -0.355 0.374 1.00 0.00 C ATOM 1499 CE1 PHE A 99 8.493 1.028 2.546 1.00 0.00 C ATOM 1500 CE2 PHE A 99 6.954 0.885 0.768 1.00 0.00 C ATOM 1501 CZ PHE A 99 7.450 1.550 1.845 1.00 0.00 C ATOM 0 H PHE A 99 11.543 -2.598 1.593 1.00 0.00 H new ATOM 0 HA PHE A 99 8.792 -3.078 2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.083 -2.019 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.483 -2.728 -0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.889 -0.627 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.130 -0.883 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.888 1.556 3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.126 1.300 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.016 2.493 2.144 1.00 0.00 H new ATOM 1511 N ASP A 100 8.484 -4.982 0.675 1.00 0.00 N ATOM 1512 CA ASP A 100 8.383 -6.330 0.143 1.00 0.00 C ATOM 1513 C ASP A 100 7.366 -6.349 -0.999 1.00 0.00 C ATOM 1514 O ASP A 100 6.784 -7.390 -1.301 1.00 0.00 O ATOM 1515 CB ASP A 100 7.907 -7.311 1.216 1.00 0.00 C ATOM 1516 CG ASP A 100 8.980 -7.751 2.214 1.00 0.00 C ATOM 1517 OD1 ASP A 100 9.722 -8.696 1.869 1.00 0.00 O ATOM 1518 OD2 ASP A 100 9.036 -7.132 3.298 1.00 0.00 O ATOM 0 H ASP A 100 7.665 -4.397 0.511 1.00 0.00 H new ATOM 0 HA ASP A 100 9.371 -6.629 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.086 -6.852 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.505 -8.197 0.724 1.00 0.00 H new ATOM 1523 N TYR A 101 7.183 -5.184 -1.605 1.00 0.00 N ATOM 1524 CA TYR A 101 6.246 -5.054 -2.708 1.00 0.00 C ATOM 1525 C TYR A 101 5.892 -6.423 -3.292 1.00 0.00 C ATOM 1526 O TYR A 101 6.564 -6.906 -4.202 1.00 0.00 O ATOM 1527 CB TYR A 101 6.966 -4.228 -3.776 1.00 0.00 C ATOM 1528 CG TYR A 101 7.692 -2.998 -3.228 1.00 0.00 C ATOM 1529 CD1 TYR A 101 8.978 -3.117 -2.740 1.00 0.00 C ATOM 1530 CD2 TYR A 101 7.062 -1.770 -3.220 1.00 0.00 C ATOM 1531 CE1 TYR A 101 9.662 -1.960 -2.224 1.00 0.00 C ATOM 1532 CE2 TYR A 101 7.746 -0.613 -2.704 1.00 0.00 C ATOM 1533 CZ TYR A 101 9.013 -0.765 -2.231 1.00 0.00 C ATOM 1534 OH TYR A 101 9.659 0.328 -1.743 1.00 0.00 O ATOM 0 H TYR A 101 7.668 -4.323 -1.353 1.00 0.00 H new ATOM 0 HA TYR A 101 5.320 -4.588 -2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.688 -4.865 -4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.240 -3.906 -4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 101 9.471 -4.078 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.056 -1.677 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.668 -2.039 -1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.265 0.354 -2.693 1.00 0.00 H new ATOM 0 HH TYR A 101 9.348 0.513 -0.832 1.00 0.00 H new ATOM 1544 N LEU A 102 4.838 -7.009 -2.744 1.00 0.00 N ATOM 1545 CA LEU A 102 4.386 -8.313 -3.199 1.00 0.00 C ATOM 1546 C LEU A 102 4.481 -8.377 -4.725 1.00 0.00 C ATOM 1547 O LEU A 102 4.112 -7.427 -5.413 1.00 0.00 O ATOM 1548 CB LEU A 102 2.988 -8.615 -2.656 1.00 0.00 C ATOM 1549 CG LEU A 102 2.889 -8.840 -1.146 1.00 0.00 C ATOM 1550 CD1 LEU A 102 2.581 -7.531 -0.416 1.00 0.00 C ATOM 1551 CD2 LEU A 102 1.867 -9.931 -0.820 1.00 0.00 C ATOM 0 H LEU A 102 4.284 -6.605 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 102 5.031 -9.099 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.329 -7.789 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.608 -9.503 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 102 3.858 -9.189 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.516 -7.719 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.375 -6.810 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.632 -7.130 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.816 -10.071 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.887 -9.635 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.169 -10.865 -1.293 1.00 0.00 H new ATOM 1563 N PRO A 103 4.990 -9.536 -5.221 1.00 0.00 N ATOM 1564 CA PRO A 103 5.138 -9.736 -6.652 1.00 0.00 C ATOM 1565 C PRO A 103 3.784 -10.010 -7.310 1.00 0.00 C ATOM 1566 O PRO A 103 3.590 -11.055 -7.928 1.00 0.00 O ATOM 1567 CB PRO A 103 6.110 -10.897 -6.789 1.00 0.00 C ATOM 1568 CG PRO A 103 6.110 -11.602 -5.442 1.00 0.00 C ATOM 1569 CD PRO A 103 5.438 -10.682 -4.435 1.00 0.00 C ATOM 0 HA PRO A 103 5.520 -8.852 -7.163 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.799 -11.575 -7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.109 -10.542 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.577 -12.551 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.129 -11.830 -5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.600 -11.177 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.132 -10.378 -3.652 1.00 0.00 H new ATOM 1577 N LYS A 104 2.882 -9.052 -7.155 1.00 0.00 N ATOM 1578 CA LYS A 104 1.552 -9.176 -7.726 1.00 0.00 C ATOM 1579 C LYS A 104 1.663 -9.721 -9.151 1.00 0.00 C ATOM 1580 O LYS A 104 2.622 -9.423 -9.861 1.00 0.00 O ATOM 1581 CB LYS A 104 0.803 -7.845 -7.633 1.00 0.00 C ATOM 1582 CG LYS A 104 0.450 -7.316 -9.025 1.00 0.00 C ATOM 1583 CD LYS A 104 0.156 -5.815 -8.983 1.00 0.00 C ATOM 1584 CE LYS A 104 -0.625 -5.375 -10.222 1.00 0.00 C ATOM 1585 NZ LYS A 104 0.278 -5.254 -11.388 1.00 0.00 N ATOM 0 H LYS A 104 3.046 -8.186 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 104 0.957 -9.890 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.107 -7.976 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.417 -7.114 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.274 -7.510 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.418 -7.850 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.415 -5.578 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.092 -5.259 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.413 -6.097 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.112 -4.419 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.109 -4.558 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.217 -4.942 -11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.362 -6.177 -11.860 1.00 0.00 H new ATOM 1599 N PRO A 105 0.641 -10.531 -9.538 1.00 0.00 N ATOM 1600 CA PRO A 105 -0.457 -10.833 -8.636 1.00 0.00 C ATOM 1601 C PRO A 105 -0.025 -11.833 -7.561 1.00 0.00 C ATOM 1602 O PRO A 105 0.805 -12.704 -7.817 1.00 0.00 O ATOM 1603 CB PRO A 105 -1.566 -11.363 -9.529 1.00 0.00 C ATOM 1604 CG PRO A 105 -0.893 -11.775 -10.829 1.00 0.00 C ATOM 1605 CD PRO A 105 0.505 -11.178 -10.839 1.00 0.00 C ATOM 0 HA PRO A 105 -0.796 -9.959 -8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.070 -12.210 -9.064 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.323 -10.599 -9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.845 -12.861 -10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.466 -11.419 -11.685 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.263 -11.948 -10.979 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.624 -10.462 -11.652 1.00 0.00 H new ATOM 1613 N PHE A 106 -0.606 -11.674 -6.382 1.00 0.00 N ATOM 1614 CA PHE A 106 -0.292 -12.552 -5.268 1.00 0.00 C ATOM 1615 C PHE A 106 -1.547 -12.878 -4.455 1.00 0.00 C ATOM 1616 O PHE A 106 -2.653 -12.501 -4.837 1.00 0.00 O ATOM 1617 CB PHE A 106 0.700 -11.804 -4.375 1.00 0.00 C ATOM 1618 CG PHE A 106 0.213 -10.425 -3.923 1.00 0.00 C ATOM 1619 CD1 PHE A 106 -0.748 -10.323 -2.966 1.00 0.00 C ATOM 1620 CD2 PHE A 106 0.741 -9.302 -4.478 1.00 0.00 C ATOM 1621 CE1 PHE A 106 -1.200 -9.044 -2.547 1.00 0.00 C ATOM 1622 CE2 PHE A 106 0.290 -8.023 -4.059 1.00 0.00 C ATOM 1623 CZ PHE A 106 -0.671 -7.921 -3.102 1.00 0.00 C ATOM 0 H PHE A 106 -1.293 -10.950 -6.173 1.00 0.00 H new ATOM 0 HA PHE A 106 0.121 -13.490 -5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.909 -12.411 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.641 -11.687 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.167 -11.215 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.504 -9.383 -5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.964 -8.963 -1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.710 -7.131 -4.500 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.014 -6.948 -2.783 1.00 0.00 H new ATOM 1633 N ASP A 107 -1.332 -13.575 -3.349 1.00 0.00 N ATOM 1634 CA ASP A 107 -2.432 -13.956 -2.479 1.00 0.00 C ATOM 1635 C ASP A 107 -2.761 -12.793 -1.541 1.00 0.00 C ATOM 1636 O ASP A 107 -2.078 -12.587 -0.539 1.00 0.00 O ATOM 1637 CB ASP A 107 -2.061 -15.166 -1.620 1.00 0.00 C ATOM 1638 CG ASP A 107 -2.712 -16.484 -2.044 1.00 0.00 C ATOM 1639 OD1 ASP A 107 -2.386 -16.945 -3.159 1.00 0.00 O ATOM 1640 OD2 ASP A 107 -3.521 -17.001 -1.243 1.00 0.00 O ATOM 0 H ASP A 107 -0.413 -13.886 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.287 -14.208 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.978 -15.290 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.338 -14.957 -0.587 1.00 0.00 H new ATOM 1645 N ILE A 108 -3.806 -12.063 -1.900 1.00 0.00 N ATOM 1646 CA ILE A 108 -4.234 -10.926 -1.102 1.00 0.00 C ATOM 1647 C ILE A 108 -4.125 -11.279 0.382 1.00 0.00 C ATOM 1648 O ILE A 108 -3.585 -10.505 1.171 1.00 0.00 O ATOM 1649 CB ILE A 108 -5.632 -10.470 -1.525 1.00 0.00 C ATOM 1650 CG1 ILE A 108 -5.595 -9.057 -2.110 1.00 0.00 C ATOM 1651 CG2 ILE A 108 -6.621 -10.584 -0.363 1.00 0.00 C ATOM 1652 CD1 ILE A 108 -4.679 -8.993 -3.333 1.00 0.00 C ATOM 0 H ILE A 108 -4.369 -12.236 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.579 -10.072 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 108 -5.984 -11.135 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.603 -8.749 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.246 -8.355 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.607 -10.254 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.677 -11.621 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.285 -9.958 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.671 -7.977 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.667 -9.278 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.045 -9.678 -4.098 1.00 0.00 H new ATOM 1664 N ASP A 109 -4.648 -12.450 0.718 1.00 0.00 N ATOM 1665 CA ASP A 109 -4.616 -12.916 2.094 1.00 0.00 C ATOM 1666 C ASP A 109 -3.183 -12.833 2.624 1.00 0.00 C ATOM 1667 O ASP A 109 -2.961 -12.424 3.762 1.00 0.00 O ATOM 1668 CB ASP A 109 -5.073 -14.372 2.193 1.00 0.00 C ATOM 1669 CG ASP A 109 -5.889 -14.711 3.442 1.00 0.00 C ATOM 1670 OD1 ASP A 109 -5.432 -14.326 4.540 1.00 0.00 O ATOM 1671 OD2 ASP A 109 -6.951 -15.347 3.271 1.00 0.00 O ATOM 0 H ASP A 109 -5.096 -13.089 0.061 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.287 -12.287 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.669 -14.610 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.194 -15.016 2.166 1.00 0.00 H new ATOM 1676 N GLU A 110 -2.248 -13.227 1.772 1.00 0.00 N ATOM 1677 CA GLU A 110 -0.842 -13.202 2.140 1.00 0.00 C ATOM 1678 C GLU A 110 -0.380 -11.762 2.375 1.00 0.00 C ATOM 1679 O GLU A 110 0.499 -11.515 3.199 1.00 0.00 O ATOM 1680 CB GLU A 110 0.016 -13.886 1.073 1.00 0.00 C ATOM 1681 CG GLU A 110 0.423 -15.292 1.516 1.00 0.00 C ATOM 1682 CD GLU A 110 -0.766 -16.253 1.455 1.00 0.00 C ATOM 1683 OE1 GLU A 110 -1.692 -16.063 2.274 1.00 0.00 O ATOM 1684 OE2 GLU A 110 -0.723 -17.155 0.591 1.00 0.00 O ATOM 0 H GLU A 110 -2.436 -13.565 0.828 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.720 -13.758 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.539 -13.942 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.907 -13.289 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.226 -15.660 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.815 -15.257 2.532 1.00 0.00 H new ATOM 1691 N ALA A 111 -0.994 -10.850 1.636 1.00 0.00 N ATOM 1692 CA ALA A 111 -0.657 -9.441 1.754 1.00 0.00 C ATOM 1693 C ALA A 111 -1.327 -8.863 3.002 1.00 0.00 C ATOM 1694 O ALA A 111 -0.748 -8.024 3.689 1.00 0.00 O ATOM 1695 CB ALA A 111 -1.072 -8.708 0.477 1.00 0.00 C ATOM 0 H ALA A 111 -1.723 -11.059 0.953 1.00 0.00 H new ATOM 0 HA ALA A 111 0.419 -9.312 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -0.819 -7.651 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -0.546 -9.137 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -2.147 -8.813 0.330 1.00 0.00 H new ATOM 1701 N VAL A 112 -2.538 -9.336 3.257 1.00 0.00 N ATOM 1702 CA VAL A 112 -3.293 -8.877 4.410 1.00 0.00 C ATOM 1703 C VAL A 112 -2.643 -9.415 5.687 1.00 0.00 C ATOM 1704 O VAL A 112 -2.463 -8.677 6.654 1.00 0.00 O ATOM 1705 CB VAL A 112 -4.761 -9.284 4.270 1.00 0.00 C ATOM 1706 CG1 VAL A 112 -5.616 -8.635 5.361 1.00 0.00 C ATOM 1707 CG2 VAL A 112 -5.295 -8.940 2.878 1.00 0.00 C ATOM 0 H VAL A 112 -3.015 -10.033 2.685 1.00 0.00 H new ATOM 0 HA VAL A 112 -3.275 -7.789 4.469 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.822 -10.365 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.655 -8.941 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -5.258 -8.951 6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -5.545 -7.550 5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -6.340 -9.240 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.213 -7.866 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.712 -9.469 2.124 1.00 0.00 H new ATOM 1717 N ALA A 113 -2.309 -10.696 5.648 1.00 0.00 N ATOM 1718 CA ALA A 113 -1.683 -11.341 6.790 1.00 0.00 C ATOM 1719 C ALA A 113 -0.364 -10.634 7.110 1.00 0.00 C ATOM 1720 O ALA A 113 0.047 -10.574 8.267 1.00 0.00 O ATOM 1721 CB ALA A 113 -1.489 -12.830 6.493 1.00 0.00 C ATOM 0 H ALA A 113 -2.460 -11.305 4.844 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.321 -11.264 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.019 -13.314 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.457 -13.292 6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.852 -12.946 5.616 1.00 0.00 H new ATOM 1727 N LEU A 114 0.262 -10.118 6.063 1.00 0.00 N ATOM 1728 CA LEU A 114 1.526 -9.418 6.218 1.00 0.00 C ATOM 1729 C LEU A 114 1.309 -8.163 7.066 1.00 0.00 C ATOM 1730 O LEU A 114 1.939 -7.998 8.110 1.00 0.00 O ATOM 1731 CB LEU A 114 2.153 -9.134 4.851 1.00 0.00 C ATOM 1732 CG LEU A 114 2.764 -7.744 4.668 1.00 0.00 C ATOM 1733 CD1 LEU A 114 4.055 -7.602 5.476 1.00 0.00 C ATOM 1734 CD2 LEU A 114 2.977 -7.429 3.186 1.00 0.00 C ATOM 0 H LEU A 114 -0.082 -10.170 5.104 1.00 0.00 H new ATOM 0 HA LEU A 114 2.244 -10.043 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.929 -9.877 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.389 -9.277 4.087 1.00 0.00 H new ATOM 0 HG LEU A 114 2.060 -7.008 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.469 -6.605 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.840 -7.753 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.777 -8.347 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.412 -6.435 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.651 -8.167 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.020 -7.461 2.666 1.00 0.00 H new ATOM 1746 N VAL A 115 0.414 -7.311 6.587 1.00 0.00 N ATOM 1747 CA VAL A 115 0.106 -6.076 7.288 1.00 0.00 C ATOM 1748 C VAL A 115 -0.123 -6.380 8.770 1.00 0.00 C ATOM 1749 O VAL A 115 0.465 -5.736 9.637 1.00 0.00 O ATOM 1750 CB VAL A 115 -1.089 -5.384 6.629 1.00 0.00 C ATOM 1751 CG1 VAL A 115 -2.318 -5.428 7.538 1.00 0.00 C ATOM 1752 CG2 VAL A 115 -0.744 -3.945 6.242 1.00 0.00 C ATOM 0 H VAL A 115 -0.108 -7.452 5.722 1.00 0.00 H new ATOM 0 HA VAL A 115 0.943 -5.381 7.223 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.329 -5.928 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.153 -4.929 7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.584 -6.466 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -2.095 -4.921 8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.610 -3.476 5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -0.465 -3.385 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.089 -3.947 5.540 1.00 0.00 H new ATOM 1762 N GLU A 116 -0.978 -7.362 9.015 1.00 0.00 N ATOM 1763 CA GLU A 116 -1.291 -7.760 10.377 1.00 0.00 C ATOM 1764 C GLU A 116 -0.006 -8.058 11.152 1.00 0.00 C ATOM 1765 O GLU A 116 -0.008 -8.073 12.382 1.00 0.00 O ATOM 1766 CB GLU A 116 -2.234 -8.965 10.393 1.00 0.00 C ATOM 1767 CG GLU A 116 -3.697 -8.516 10.415 1.00 0.00 C ATOM 1768 CD GLU A 116 -4.191 -8.324 11.850 1.00 0.00 C ATOM 1769 OE1 GLU A 116 -4.399 -9.358 12.521 1.00 0.00 O ATOM 1770 OE2 GLU A 116 -4.348 -7.148 12.243 1.00 0.00 O ATOM 0 H GLU A 116 -1.464 -7.894 8.293 1.00 0.00 H new ATOM 0 HA GLU A 116 -1.804 -6.933 10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -2.053 -9.585 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -2.026 -9.582 11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.803 -7.582 9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.316 -9.257 9.910 1.00 0.00 H new ATOM 1777 N ARG A 117 1.060 -8.288 10.400 1.00 0.00 N ATOM 1778 CA ARG A 117 2.349 -8.585 11.001 1.00 0.00 C ATOM 1779 C ARG A 117 3.269 -7.366 10.914 1.00 0.00 C ATOM 1780 O ARG A 117 4.275 -7.291 11.619 1.00 0.00 O ATOM 1781 CB ARG A 117 3.020 -9.773 10.307 1.00 0.00 C ATOM 1782 CG ARG A 117 4.224 -9.316 9.481 1.00 0.00 C ATOM 1783 CD ARG A 117 4.749 -10.453 8.602 1.00 0.00 C ATOM 1784 NE ARG A 117 5.899 -9.983 7.798 1.00 0.00 N ATOM 1785 CZ ARG A 117 6.705 -10.790 7.096 1.00 0.00 C ATOM 1786 NH1 ARG A 117 6.492 -12.113 7.094 1.00 0.00 N ATOM 1787 NH2 ARG A 117 7.724 -10.275 6.395 1.00 0.00 N ATOM 0 H ARG A 117 1.058 -8.275 9.380 1.00 0.00 H new ATOM 0 HA ARG A 117 2.176 -8.840 12.047 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.341 -10.501 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 117 2.300 -10.275 9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 117 3.940 -8.469 8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.016 -8.970 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.050 -11.295 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.957 -10.810 7.944 1.00 0.00 H new ATOM 0 HE ARG A 117 6.090 -8.981 7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.716 -12.505 7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.106 -12.728 6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.886 -9.268 6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.338 -10.890 5.861 1.00 0.00 H new ATOM 1801 N ALA A 118 2.893 -6.442 10.043 1.00 0.00 N ATOM 1802 CA ALA A 118 3.671 -5.229 9.854 1.00 0.00 C ATOM 1803 C ALA A 118 3.114 -4.125 10.754 1.00 0.00 C ATOM 1804 O ALA A 118 3.865 -3.292 11.258 1.00 0.00 O ATOM 1805 CB ALA A 118 3.658 -4.839 8.375 1.00 0.00 C ATOM 0 H ALA A 118 2.059 -6.509 9.459 1.00 0.00 H new ATOM 0 HA ALA A 118 4.711 -5.392 10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.241 -3.929 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.092 -5.644 7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.631 -4.665 8.054 1.00 0.00 H new ATOM 1811 N ILE A 119 1.800 -4.153 10.927 1.00 0.00 N ATOM 1812 CA ILE A 119 1.133 -3.165 11.757 1.00 0.00 C ATOM 1813 C ILE A 119 1.492 -3.410 13.223 1.00 0.00 C ATOM 1814 O ILE A 119 1.323 -2.528 14.064 1.00 0.00 O ATOM 1815 CB ILE A 119 -0.372 -3.164 11.484 1.00 0.00 C ATOM 1816 CG1 ILE A 119 -0.683 -2.539 10.122 1.00 0.00 C ATOM 1817 CG2 ILE A 119 -1.135 -2.477 12.618 1.00 0.00 C ATOM 1818 CD1 ILE A 119 -2.122 -2.837 9.697 1.00 0.00 C ATOM 0 H ILE A 119 1.180 -4.845 10.506 1.00 0.00 H new ATOM 0 HA ILE A 119 1.479 -2.162 11.508 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.713 -4.199 11.448 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.530 -1.461 10.169 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.008 -2.926 9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -2.203 -2.490 12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.950 -3.005 13.553 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.797 -1.445 12.711 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.316 -2.381 8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.265 -3.915 9.627 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.812 -2.427 10.435 1.00 0.00 H new ATOM 1830 N SER A 120 1.982 -4.613 13.486 1.00 0.00 N ATOM 1831 CA SER A 120 2.366 -4.986 14.837 1.00 0.00 C ATOM 1832 C SER A 120 3.869 -4.776 15.030 1.00 0.00 C ATOM 1833 O SER A 120 4.295 -4.186 16.022 1.00 0.00 O ATOM 1834 CB SER A 120 1.990 -6.439 15.135 1.00 0.00 C ATOM 1835 OG SER A 120 0.579 -6.625 15.190 1.00 0.00 O ATOM 0 H SER A 120 2.122 -5.342 12.786 1.00 0.00 H new ATOM 0 HA SER A 120 1.824 -4.349 15.535 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.411 -7.087 14.367 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.433 -6.741 16.084 1.00 0.00 H new ATOM 0 HG SER A 120 0.277 -7.081 14.376 1.00 0.00 H new ATOM 1841 N HIS A 121 4.632 -5.270 14.066 1.00 0.00 N ATOM 1842 CA HIS A 121 6.078 -5.144 14.117 1.00 0.00 C ATOM 1843 C HIS A 121 6.466 -3.664 14.078 1.00 0.00 C ATOM 1844 O HIS A 121 7.605 -3.309 14.380 1.00 0.00 O ATOM 1845 CB HIS A 121 6.735 -5.959 13.001 1.00 0.00 C ATOM 1846 CG HIS A 121 7.020 -5.166 11.748 1.00 0.00 C ATOM 1847 ND1 HIS A 121 6.189 -4.155 11.296 1.00 0.00 N ATOM 1848 CD2 HIS A 121 8.050 -5.245 10.858 1.00 0.00 C ATOM 1849 CE1 HIS A 121 6.706 -3.656 10.182 1.00 0.00 C ATOM 1850 NE2 HIS A 121 7.859 -4.333 9.912 1.00 0.00 N ATOM 0 H HIS A 121 4.275 -5.759 13.245 1.00 0.00 H new ATOM 0 HA HIS A 121 6.449 -5.557 15.055 1.00 0.00 H new ATOM 0 HB2 HIS A 121 7.669 -6.379 13.373 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.087 -6.798 12.748 1.00 0.00 H new ATOM 0 HD1 HIS A 121 5.326 -3.847 11.744 1.00 0.00 H new ATOM 0 HD2 HIS A 121 8.881 -5.933 10.913 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.288 -2.854 9.592 1.00 0.00 H new ATOM 1858 N TYR A 122 5.498 -2.841 13.704 1.00 0.00 N ATOM 1859 CA TYR A 122 5.724 -1.408 13.621 1.00 0.00 C ATOM 1860 C TYR A 122 6.187 -0.848 14.967 1.00 0.00 C ATOM 1861 O TYR A 122 6.900 0.154 15.014 1.00 0.00 O ATOM 1862 CB TYR A 122 4.372 -0.789 13.262 1.00 0.00 C ATOM 1863 CG TYR A 122 3.541 -0.362 14.474 1.00 0.00 C ATOM 1864 CD1 TYR A 122 3.113 -1.307 15.385 1.00 0.00 C ATOM 1865 CD2 TYR A 122 3.220 0.968 14.657 1.00 0.00 C ATOM 1866 CE1 TYR A 122 2.332 -0.905 16.526 1.00 0.00 C ATOM 1867 CE2 TYR A 122 2.439 1.369 15.798 1.00 0.00 C ATOM 1868 CZ TYR A 122 2.033 0.413 16.676 1.00 0.00 C ATOM 1869 OH TYR A 122 1.295 0.792 17.754 1.00 0.00 O ATOM 0 H TYR A 122 4.555 -3.139 13.455 1.00 0.00 H new ATOM 0 HA TYR A 122 6.496 -1.182 12.885 1.00 0.00 H new ATOM 0 HB2 TYR A 122 4.539 0.080 12.625 1.00 0.00 H new ATOM 0 HB3 TYR A 122 3.799 -1.508 12.677 1.00 0.00 H new ATOM 0 HD1 TYR A 122 3.364 -2.348 15.242 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.555 1.707 13.945 1.00 0.00 H new ATOM 0 HE1 TYR A 122 1.991 -1.634 17.246 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.181 2.406 15.953 1.00 0.00 H new ATOM 0 HH TYR A 122 1.159 1.762 17.733 1.00 0.00 H new ATOM 1879 N GLN A 123 5.763 -1.518 16.028 1.00 0.00 N ATOM 1880 CA GLN A 123 6.126 -1.099 17.371 1.00 0.00 C ATOM 1881 C GLN A 123 7.545 -1.564 17.707 1.00 0.00 C ATOM 1882 O GLN A 123 7.740 -2.359 18.626 1.00 0.00 O ATOM 1883 CB GLN A 123 5.120 -1.622 18.399 1.00 0.00 C ATOM 1884 CG GLN A 123 5.480 -1.147 19.809 1.00 0.00 C ATOM 1885 CD GLN A 123 5.160 -2.224 20.848 1.00 0.00 C ATOM 1886 OE1 GLN A 123 4.108 -2.842 20.836 1.00 0.00 O ATOM 1887 NE2 GLN A 123 6.124 -2.413 21.745 1.00 0.00 N ATOM 0 H GLN A 123 5.172 -2.348 15.985 1.00 0.00 H new ATOM 0 HA GLN A 123 6.103 -0.010 17.410 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.118 -1.279 18.140 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.100 -2.711 18.372 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.540 -0.897 19.853 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.928 -0.236 20.042 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.980 -1.861 21.697 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.007 -3.110 22.480 1.00 0.00 H new ATOM 1896 N GLU A 124 8.498 -1.048 16.945 1.00 0.00 N ATOM 1897 CA GLU A 124 9.893 -1.401 17.151 1.00 0.00 C ATOM 1898 C GLU A 124 10.780 -0.162 17.006 1.00 0.00 C ATOM 1899 O GLU A 124 10.360 0.948 17.329 1.00 0.00 O ATOM 1900 CB GLU A 124 10.328 -2.503 16.183 1.00 0.00 C ATOM 1901 CG GLU A 124 11.074 -3.617 16.921 1.00 0.00 C ATOM 1902 CD GLU A 124 10.589 -4.995 16.468 1.00 0.00 C ATOM 1903 OE1 GLU A 124 10.587 -5.220 15.238 1.00 0.00 O ATOM 1904 OE2 GLU A 124 10.231 -5.793 17.361 1.00 0.00 O ATOM 0 H GLU A 124 8.332 -0.389 16.185 1.00 0.00 H new ATOM 0 HA GLU A 124 10.005 -1.788 18.164 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.454 -2.917 15.680 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.970 -2.081 15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.145 -3.526 16.738 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.924 -3.510 17.995 1.00 0.00 H new TER 1911 GLU A 124 END