USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) HEADER IMMUNOGLOBULIN-LIKE DOMAIN 02-FEB-96 1TIT TITLE TITIN, IG REPEAT 27, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TITIN, I27; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CONNECTIN I27, TITIN IG REPEAT 27; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: SOLUTION STRUCTURE, T=308K, PH 4.5, 10MM COMPND 7 ACETATE BUFFER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: 293; SOURCE 6 ORGAN: HEART; SOURCE 7 TISSUE: MUSCLE; SOURCE 8 ORGANELLE: SARCOMERE; SOURCE 9 GENE: TITIN GENE; SOURCE 0 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 1 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 2 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 3 EXPRESSION_SYSTEM_PLASMID: PET8C; SOURCE 4 EXPRESSION_SYSTEM_GENE: TITIN GENE KEYWDS MUSCLE PROTEIN, IMMUNOGLOBULIN-LIKE DOMAIN EXPDTA SOLUTION NMR AUTHOR S.IMPROTA,A.S.POLITOU,A.PASTORE REVDAT 2 24-FEB-09 1TIT 1 VERSN REVDAT 1 11-JUL-96 1TIT 0 JRNL AUTH S.IMPROTA,A.S.POLITOU,A.PASTORE JRNL TITL IMMUNOGLOBULIN-LIKE MODULES FROM TITIN I-BAND: JRNL TITL 2 EXTENSIBLE COMPONENTS OF MUSCLE ELASTICITY. JRNL REF STRUCTURE V. 4 323 1996 JRNL REFN ISSN 0969-2126 JRNL PMID 8805538 JRNL DOI 10.1016/S0969-2126(96)00036-6 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.PFUHL,A.PASTORE REMARK 1 TITL TERTIARY STRUCTURE OF AN IMMUNOGLOBULIN-LIKE REMARK 1 TITL 2 DOMAIN FROM THE GIANT MUSCLE PROTEIN TITIN: A NEW REMARK 1 TITL 3 MEMBER OF THE I SET REMARK 1 REF STRUCTURE V. 3 391 1995 REMARK 1 REFN ISSN 0969-2126 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.LABEIT,B.KOLMERER REMARK 1 TITL TITINS: GIANT PROTEINS IN CHARGE OF MUSCLE REMARK 1 TITL 2 ULTRASTRUCTURE AND ELASTICITY REMARK 1 REF SCIENCE V. 270 293 1995 REMARK 1 REFN ISSN 0036-8075 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR (EXTENDED VERSION) VERSION) REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TIT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A -8 REMARK 465 HIS A -7 REMARK 465 HIS A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 HIS A -2 REMARK 465 SER A -1 REMARK 465 SER A 0 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O LEU A 65 OG1 THR A 68 1.62 REMARK 500 O GLY A 53 N LYS A 55 1.79 REMARK 500 O LEU A 36 N GLY A 38 1.80 REMARK 500 O GLY A 66 N THR A 68 1.89 REMARK 500 O GLN A 64 CG1 VAL A 86 2.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL A 15 107.03 22.15 REMARK 500 GLU A 17 -148.36 -59.66 REMARK 500 ILE A 23 119.50 -169.74 REMARK 500 LEU A 25 -146.26 -105.34 REMARK 500 ASP A 29 87.45 65.90 REMARK 500 HIS A 31 94.91 -164.02 REMARK 500 LEU A 36 -162.11 -54.40 REMARK 500 LYS A 37 -28.77 -17.03 REMARK 500 LEU A 41 -129.08 -70.12 REMARK 500 THR A 42 111.99 -167.98 REMARK 500 ALA A 43 109.93 -37.24 REMARK 500 SER A 44 -143.07 -129.60 REMARK 500 LYS A 54 -11.35 -26.50 REMARK 500 ASN A 62 79.91 -14.55 REMARK 500 MET A 67 -0.05 -36.44 REMARK 500 THR A 68 80.20 -65.36 REMARK 500 ALA A 76 -99.95 39.32 REMARK 500 ALA A 81 100.18 -165.30 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TIU RELATED DB: PDB DBREF 1TIT A 1 89 UNP Q10466 Q10466_HUMAN 5253 5341 SEQRES 1 A 98 MET HIS HIS HIS HIS HIS HIS SER SER LEU ILE GLU VAL SEQRES 2 A 98 GLU LYS PRO LEU TYR GLY VAL GLU VAL PHE VAL GLY GLU SEQRES 3 A 98 THR ALA HIS PHE GLU ILE GLU LEU SER GLU PRO ASP VAL SEQRES 4 A 98 HIS GLY GLN TRP LYS LEU LYS GLY GLN PRO LEU THR ALA SEQRES 5 A 98 SER PRO ASP CYS GLU ILE ILE GLU ASP GLY LYS LYS HIS SEQRES 6 A 98 ILE LEU ILE LEU HIS ASN CYS GLN LEU GLY MET THR GLY SEQRES 7 A 98 GLU VAL SER PHE GLN ALA ALA ASN ALA LYS SER ALA ALA SEQRES 8 A 98 ASN LEU LYS VAL LYS GLU LEU SHEET 1 S1 4 VAL A 4 PRO A 7 0 SHEET 2 S1 4 THR A 18 LEU A 25 -1 N GLU A 24 O LYS A 6 SHEET 3 S1 4 LYS A 55 HIS A 61 -1 O LEU A 60 N ALA A 19 SHEET 4 S1 4 CYS A 47 ASP A 52 -1 N GLU A 48 O ILE A 59 SHEET 1 S2 4 VAL A 11 VAL A 15 0 SHEET 2 S2 4 ALA A 78 GLU A 88 1 N LYS A 85 O VAL A 11 SHEET 3 S2 4 GLY A 69 ALA A 75 -1 O GLY A 69 N LEU A 84 SHEET 4 S2 4 GLY A 32 LEU A 36 -1 N LYS A 35 O SER A 72 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -123:sc= 0 (180deg=-0.065) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 20 HIS : no HE2:sc= -2.1 X(o=-2.1,f=-2.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HE2:sc= -1.28 F(o=-3.7!,f=-1.3) USER MOD Single : A 33 GLN : amide:sc= -0.0212 K(o=-0.021,f=-1.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -148:sc= -0.961 (180deg=-3.55!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 44 SER OG : rot 78:sc= 1.01 USER MOD Single : A 47 CYS SG : rot -169:sc= -1.08 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -5.47! C(o=-5.5!,f=-7!) USER MOD Single : A 61 HIS : no HD1:sc= 0.0337 K(o=0.034,f=-3.8!) USER MOD Single : A 62 ASN : amide:sc= -10.7! C(o=-11!,f=-16!) USER MOD Single : A 63 CYS SG : rot -9:sc= 0.54 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl 145:sc= -7.3! (180deg=-11.2!) USER MOD Single : A 68 THR OG1 : rot 92:sc= -8.42! USER MOD Single : A 72 SER OG : rot 18:sc= 1.1 USER MOD Single : A 74 GLN : amide:sc= -0.0445 K(o=-0.045,f=-1.2!) USER MOD Single : A 77 ASN : amide:sc= -5.22! C(o=-5.2!,f=-6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 178:sc= -8.8! USER MOD Single : A 83 ASN : amide:sc= -0.43 K(o=-0.43,f=-3.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -19.761 9.730 -6.893 1.00 1.53 N ATOM 2 CA LEU A 1 -18.458 10.272 -7.373 1.00 1.23 C ATOM 3 C LEU A 1 -17.720 10.966 -6.225 1.00 1.07 C ATOM 4 O LEU A 1 -18.114 12.024 -5.771 1.00 1.34 O ATOM 5 CB LEU A 1 -18.824 11.281 -8.461 1.00 1.41 C ATOM 6 CG LEU A 1 -19.232 10.537 -9.734 1.00 2.08 C ATOM 7 CD1 LEU A 1 -20.593 11.048 -10.209 1.00 2.67 C ATOM 8 CD2 LEU A 1 -18.188 10.784 -10.824 1.00 2.62 C ATOM 0 H1 LEU A 1 -19.801 8.707 -7.077 1.00 1.53 H new ATOM 0 H2 LEU A 1 -19.853 9.902 -5.871 1.00 1.53 H new ATOM 0 H3 LEU A 1 -20.540 10.203 -7.395 1.00 1.53 H new ATOM 0 HA LEU A 1 -17.799 9.489 -7.749 1.00 1.23 H new ATOM 0 HB2 LEU A 1 -19.642 11.917 -8.121 1.00 1.41 H new ATOM 0 HB3 LEU A 1 -17.976 11.934 -8.665 1.00 1.41 H new ATOM 0 HG LEU A 1 -19.297 9.469 -9.526 1.00 2.08 H new ATOM 0 HD11 LEU A 1 -20.884 10.518 -11.116 1.00 2.67 H new ATOM 0 HD12 LEU A 1 -21.338 10.875 -9.432 1.00 2.67 H new ATOM 0 HD13 LEU A 1 -20.528 12.116 -10.418 1.00 2.67 H new ATOM 0 HD21 LEU A 1 -18.477 10.254 -11.732 1.00 2.62 H new ATOM 0 HD22 LEU A 1 -18.125 11.852 -11.032 1.00 2.62 H new ATOM 0 HD23 LEU A 1 -17.217 10.422 -10.487 1.00 2.62 H new ATOM 19 N ILE A 2 -16.653 10.383 -5.753 1.00 0.90 N ATOM 20 CA ILE A 2 -15.892 11.012 -4.636 1.00 0.96 C ATOM 21 C ILE A 2 -14.440 11.252 -5.056 1.00 0.88 C ATOM 22 O ILE A 2 -14.054 10.981 -6.175 1.00 1.35 O ATOM 23 CB ILE A 2 -15.958 10.002 -3.491 1.00 1.52 C ATOM 24 CG1 ILE A 2 -16.579 8.697 -3.998 1.00 2.22 C ATOM 25 CG2 ILE A 2 -16.816 10.567 -2.358 1.00 1.84 C ATOM 26 CD1 ILE A 2 -16.728 7.719 -2.830 1.00 2.83 C ATOM 0 H ILE A 2 -16.275 9.498 -6.092 1.00 0.90 H new ATOM 0 HA ILE A 2 -16.305 11.979 -4.349 1.00 0.96 H new ATOM 0 HB ILE A 2 -14.951 9.808 -3.121 1.00 1.52 H new ATOM 0 HG12 ILE A 2 -17.552 8.895 -4.448 1.00 2.22 H new ATOM 0 HG13 ILE A 2 -15.952 8.260 -4.775 1.00 2.22 H new ATOM 0 HG21 ILE A 2 -16.862 9.846 -1.542 1.00 1.84 H new ATOM 0 HG22 ILE A 2 -16.375 11.496 -1.996 1.00 1.84 H new ATOM 0 HG23 ILE A 2 -17.823 10.763 -2.727 1.00 1.84 H new ATOM 0 HD11 ILE A 2 -17.170 6.789 -3.188 1.00 2.83 H new ATOM 0 HD12 ILE A 2 -15.748 7.513 -2.401 1.00 2.83 H new ATOM 0 HD13 ILE A 2 -17.373 8.157 -2.068 1.00 2.83 H new ATOM 38 N GLU A 3 -13.632 11.758 -4.165 1.00 0.91 N ATOM 39 CA GLU A 3 -12.206 12.015 -4.513 1.00 1.23 C ATOM 40 C GLU A 3 -11.286 11.478 -3.413 1.00 1.01 C ATOM 41 O GLU A 3 -11.676 10.653 -2.610 1.00 1.55 O ATOM 42 CB GLU A 3 -12.090 13.536 -4.617 1.00 1.82 C ATOM 43 CG GLU A 3 -12.308 13.966 -6.069 1.00 2.60 C ATOM 44 CD GLU A 3 -12.314 15.494 -6.154 1.00 3.24 C ATOM 45 OE1 GLU A 3 -12.250 16.126 -5.113 1.00 3.64 O ATOM 46 OE2 GLU A 3 -12.385 16.005 -7.260 1.00 3.80 O ATOM 0 H GLU A 3 -13.898 12.004 -3.212 1.00 0.91 H new ATOM 0 HA GLU A 3 -11.912 11.521 -5.439 1.00 1.23 H new ATOM 0 HB2 GLU A 3 -12.827 14.013 -3.971 1.00 1.82 H new ATOM 0 HB3 GLU A 3 -11.108 13.861 -4.274 1.00 1.82 H new ATOM 0 HG2 GLU A 3 -11.519 13.559 -6.702 1.00 2.60 H new ATOM 0 HG3 GLU A 3 -13.252 13.567 -6.440 1.00 2.60 H new ATOM 53 N VAL A 4 -10.066 11.939 -3.373 1.00 1.01 N ATOM 54 CA VAL A 4 -9.118 11.456 -2.328 1.00 0.77 C ATOM 55 C VAL A 4 -8.589 12.637 -1.507 1.00 0.76 C ATOM 56 O VAL A 4 -7.599 13.251 -1.852 1.00 1.03 O ATOM 57 CB VAL A 4 -7.983 10.788 -3.106 1.00 0.76 C ATOM 58 CG1 VAL A 4 -6.777 10.590 -2.186 1.00 0.96 C ATOM 59 CG2 VAL A 4 -8.454 9.426 -3.625 1.00 1.04 C ATOM 0 H VAL A 4 -9.684 12.630 -4.019 1.00 1.01 H new ATOM 0 HA VAL A 4 -9.589 10.769 -1.625 1.00 0.77 H new ATOM 0 HB VAL A 4 -7.699 11.422 -3.946 1.00 0.76 H new ATOM 0 HG11 VAL A 4 -5.969 10.114 -2.742 1.00 0.96 H new ATOM 0 HG12 VAL A 4 -6.440 11.558 -1.814 1.00 0.96 H new ATOM 0 HG13 VAL A 4 -7.061 9.957 -1.345 1.00 0.96 H new ATOM 0 HG21 VAL A 4 -7.646 8.949 -4.180 1.00 1.04 H new ATOM 0 HG22 VAL A 4 -8.739 8.795 -2.783 1.00 1.04 H new ATOM 0 HG23 VAL A 4 -9.313 9.564 -4.282 1.00 1.04 H new ATOM 69 N GLU A 5 -9.246 12.962 -0.425 1.00 0.62 N ATOM 70 CA GLU A 5 -8.782 14.106 0.415 1.00 0.72 C ATOM 71 C GLU A 5 -7.331 13.894 0.848 1.00 0.67 C ATOM 72 O GLU A 5 -6.566 14.831 0.972 1.00 0.79 O ATOM 73 CB GLU A 5 -9.706 14.106 1.634 1.00 0.79 C ATOM 74 CG GLU A 5 -11.132 13.771 1.195 1.00 1.37 C ATOM 75 CD GLU A 5 -11.810 15.033 0.661 1.00 1.81 C ATOM 76 OE1 GLU A 5 -12.366 15.767 1.460 1.00 2.26 O ATOM 77 OE2 GLU A 5 -11.763 15.244 -0.540 1.00 2.42 O ATOM 0 H GLU A 5 -10.082 12.486 -0.087 1.00 0.62 H new ATOM 0 HA GLU A 5 -8.818 15.052 -0.126 1.00 0.72 H new ATOM 0 HB2 GLU A 5 -9.359 13.377 2.366 1.00 0.79 H new ATOM 0 HB3 GLU A 5 -9.684 15.081 2.120 1.00 0.79 H new ATOM 0 HG2 GLU A 5 -11.115 13.000 0.424 1.00 1.37 H new ATOM 0 HG3 GLU A 5 -11.698 13.369 2.035 1.00 1.37 H new ATOM 84 N LYS A 6 -6.948 12.671 1.085 1.00 0.59 N ATOM 85 CA LYS A 6 -5.548 12.399 1.516 1.00 0.58 C ATOM 86 C LYS A 6 -4.942 11.277 0.671 1.00 0.46 C ATOM 87 O LYS A 6 -5.374 10.145 0.739 1.00 0.41 O ATOM 88 CB LYS A 6 -5.660 11.968 2.978 1.00 0.64 C ATOM 89 CG LYS A 6 -4.378 12.343 3.720 1.00 1.18 C ATOM 90 CD LYS A 6 -4.732 12.934 5.086 1.00 1.49 C ATOM 91 CE LYS A 6 -3.538 13.726 5.624 1.00 2.10 C ATOM 92 NZ LYS A 6 -4.075 14.490 6.785 1.00 2.76 N ATOM 0 H LYS A 6 -7.544 11.847 0.999 1.00 0.59 H new ATOM 0 HA LYS A 6 -4.903 13.270 1.396 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -6.518 12.451 3.446 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -5.827 10.893 3.039 1.00 0.64 H new ATOM 0 HG2 LYS A 6 -3.747 11.463 3.845 1.00 1.18 H new ATOM 0 HG3 LYS A 6 -3.806 13.065 3.137 1.00 1.18 H new ATOM 0 HD2 LYS A 6 -5.603 13.583 4.999 1.00 1.49 H new ATOM 0 HD3 LYS A 6 -4.997 12.137 5.781 1.00 1.49 H new ATOM 0 HE2 LYS A 6 -2.729 13.062 5.928 1.00 2.10 H new ATOM 0 HE3 LYS A 6 -3.133 14.395 4.864 1.00 2.10 H new ATOM 0 HZ1 LYS A 6 -3.314 15.059 7.208 1.00 2.76 H new ATOM 0 HZ2 LYS A 6 -4.839 15.118 6.464 1.00 2.76 H new ATOM 0 HZ3 LYS A 6 -4.447 13.827 7.495 1.00 2.76 H new ATOM 106 N PRO A 7 -3.955 11.637 -0.102 1.00 0.48 N ATOM 107 CA PRO A 7 -3.271 10.653 -0.975 1.00 0.43 C ATOM 108 C PRO A 7 -2.398 9.714 -0.139 1.00 0.39 C ATOM 109 O PRO A 7 -2.388 9.775 1.074 1.00 0.44 O ATOM 110 CB PRO A 7 -2.416 11.522 -1.893 1.00 0.57 C ATOM 111 CG PRO A 7 -2.191 12.788 -1.129 1.00 0.65 C ATOM 112 CD PRO A 7 -3.387 12.983 -0.232 1.00 0.63 C ATOM 0 HA PRO A 7 -3.961 10.014 -1.525 1.00 0.43 H new ATOM 0 HB2 PRO A 7 -1.472 11.033 -2.133 1.00 0.57 H new ATOM 0 HB3 PRO A 7 -2.923 11.716 -2.838 1.00 0.57 H new ATOM 0 HG2 PRO A 7 -1.275 12.726 -0.542 1.00 0.65 H new ATOM 0 HG3 PRO A 7 -2.077 13.633 -1.808 1.00 0.65 H new ATOM 0 HD2 PRO A 7 -3.097 13.389 0.737 1.00 0.63 H new ATOM 0 HD3 PRO A 7 -4.104 13.679 -0.668 1.00 0.63 H new ATOM 120 N LEU A 8 -1.669 8.841 -0.779 1.00 0.37 N ATOM 121 CA LEU A 8 -0.801 7.897 -0.020 1.00 0.40 C ATOM 122 C LEU A 8 0.559 8.540 0.271 1.00 0.48 C ATOM 123 O LEU A 8 0.750 9.724 0.077 1.00 0.66 O ATOM 124 CB LEU A 8 -0.639 6.686 -0.940 1.00 0.40 C ATOM 125 CG LEU A 8 -2.014 6.083 -1.231 1.00 0.38 C ATOM 126 CD1 LEU A 8 -1.928 5.185 -2.465 1.00 0.39 C ATOM 127 CD2 LEU A 8 -2.472 5.252 -0.031 1.00 0.41 C ATOM 0 H LEU A 8 -1.637 8.741 -1.794 1.00 0.37 H new ATOM 0 HA LEU A 8 -1.231 7.624 0.944 1.00 0.40 H new ATOM 0 HB2 LEU A 8 -0.156 6.984 -1.871 1.00 0.40 H new ATOM 0 HB3 LEU A 8 0.005 5.942 -0.471 1.00 0.40 H new ATOM 0 HG LEU A 8 -2.729 6.885 -1.413 1.00 0.38 H new ATOM 0 HD11 LEU A 8 -2.908 4.756 -2.672 1.00 0.39 H new ATOM 0 HD12 LEU A 8 -1.602 5.774 -3.322 1.00 0.39 H new ATOM 0 HD13 LEU A 8 -1.212 4.384 -2.283 1.00 0.39 H new ATOM 0 HD21 LEU A 8 -3.452 4.822 -0.239 1.00 0.41 H new ATOM 0 HD22 LEU A 8 -1.756 4.451 0.151 1.00 0.41 H new ATOM 0 HD23 LEU A 8 -2.535 5.890 0.851 1.00 0.41 H new ATOM 139 N TYR A 9 1.503 7.770 0.739 1.00 0.48 N ATOM 140 CA TYR A 9 2.848 8.338 1.046 1.00 0.59 C ATOM 141 C TYR A 9 3.939 7.296 0.781 1.00 0.57 C ATOM 142 O TYR A 9 3.878 6.184 1.266 1.00 1.28 O ATOM 143 CB TYR A 9 2.794 8.692 2.533 1.00 0.75 C ATOM 144 CG TYR A 9 2.437 10.150 2.694 1.00 1.33 C ATOM 145 CD1 TYR A 9 1.302 10.666 2.055 1.00 2.04 C ATOM 146 CD2 TYR A 9 3.239 10.985 3.480 1.00 2.30 C ATOM 147 CE1 TYR A 9 0.971 12.018 2.203 1.00 3.00 C ATOM 148 CE2 TYR A 9 2.908 12.337 3.628 1.00 3.24 C ATOM 149 CZ TYR A 9 1.773 12.853 2.990 1.00 3.44 C ATOM 150 OH TYR A 9 1.447 14.186 3.137 1.00 4.53 O ATOM 0 H TYR A 9 1.402 6.772 0.922 1.00 0.48 H new ATOM 0 HA TYR A 9 3.082 9.204 0.427 1.00 0.59 H new ATOM 0 HB2 TYR A 9 2.057 8.069 3.039 1.00 0.75 H new ATOM 0 HB3 TYR A 9 3.758 8.489 3.001 1.00 0.75 H new ATOM 0 HD1 TYR A 9 0.683 10.021 1.449 1.00 2.04 H new ATOM 0 HD2 TYR A 9 4.114 10.586 3.973 1.00 2.30 H new ATOM 0 HE1 TYR A 9 0.097 12.417 1.710 1.00 3.00 H new ATOM 0 HE2 TYR A 9 3.527 12.982 4.234 1.00 3.24 H new ATOM 0 HH TYR A 9 2.107 14.622 3.716 1.00 4.53 H new ATOM 160 N GLY A 10 4.937 7.647 0.018 1.00 0.70 N ATOM 161 CA GLY A 10 6.030 6.675 -0.273 1.00 0.68 C ATOM 162 C GLY A 10 6.776 6.346 1.022 1.00 0.66 C ATOM 163 O GLY A 10 7.212 7.225 1.739 1.00 0.80 O ATOM 0 H GLY A 10 5.044 8.564 -0.417 1.00 0.70 H new ATOM 0 HA2 GLY A 10 5.616 5.765 -0.708 1.00 0.68 H new ATOM 0 HA3 GLY A 10 6.719 7.094 -1.006 1.00 0.68 H new ATOM 167 N VAL A 11 6.924 5.087 1.331 1.00 0.58 N ATOM 168 CA VAL A 11 7.639 4.707 2.583 1.00 0.61 C ATOM 169 C VAL A 11 8.670 3.611 2.298 1.00 0.52 C ATOM 170 O VAL A 11 8.517 2.819 1.390 1.00 0.50 O ATOM 171 CB VAL A 11 6.551 4.185 3.515 1.00 0.70 C ATOM 172 CG1 VAL A 11 6.190 2.761 3.109 1.00 1.28 C ATOM 173 CG2 VAL A 11 7.068 4.187 4.955 1.00 1.46 C ATOM 0 H VAL A 11 6.581 4.306 0.772 1.00 0.58 H new ATOM 0 HA VAL A 11 8.182 5.547 3.016 1.00 0.61 H new ATOM 0 HB VAL A 11 5.670 4.824 3.446 1.00 0.70 H new ATOM 0 HG11 VAL A 11 5.412 2.380 3.771 1.00 1.28 H new ATOM 0 HG12 VAL A 11 5.826 2.757 2.081 1.00 1.28 H new ATOM 0 HG13 VAL A 11 7.073 2.126 3.184 1.00 1.28 H new ATOM 0 HG21 VAL A 11 6.290 3.814 5.621 1.00 1.46 H new ATOM 0 HG22 VAL A 11 7.946 3.545 5.027 1.00 1.46 H new ATOM 0 HG23 VAL A 11 7.336 5.203 5.244 1.00 1.46 H new ATOM 183 N GLU A 12 9.722 3.561 3.070 1.00 0.65 N ATOM 184 CA GLU A 12 10.762 2.516 2.845 1.00 0.60 C ATOM 185 C GLU A 12 10.639 1.411 3.899 1.00 0.60 C ATOM 186 O GLU A 12 10.040 1.597 4.939 1.00 0.73 O ATOM 187 CB GLU A 12 12.099 3.246 2.988 1.00 0.75 C ATOM 188 CG GLU A 12 11.977 4.653 2.401 1.00 1.34 C ATOM 189 CD GLU A 12 13.286 5.413 2.616 1.00 1.75 C ATOM 190 OE1 GLU A 12 14.312 4.764 2.742 1.00 2.33 O ATOM 191 OE2 GLU A 12 13.243 6.632 2.650 1.00 2.16 O ATOM 0 H GLU A 12 9.906 4.197 3.846 1.00 0.65 H new ATOM 0 HA GLU A 12 10.661 2.039 1.870 1.00 0.60 H new ATOM 0 HB2 GLU A 12 12.384 3.302 4.038 1.00 0.75 H new ATOM 0 HB3 GLU A 12 12.885 2.693 2.473 1.00 0.75 H new ATOM 0 HG2 GLU A 12 11.749 4.596 1.337 1.00 1.34 H new ATOM 0 HG3 GLU A 12 11.153 5.186 2.876 1.00 1.34 H new ATOM 198 N VAL A 13 11.201 0.263 3.635 1.00 0.54 N ATOM 199 CA VAL A 13 11.115 -0.853 4.621 1.00 0.63 C ATOM 200 C VAL A 13 12.272 -1.834 4.415 1.00 0.59 C ATOM 201 O VAL A 13 12.725 -2.051 3.308 1.00 0.70 O ATOM 202 CB VAL A 13 9.776 -1.533 4.335 1.00 0.77 C ATOM 203 CG1 VAL A 13 9.539 -1.582 2.824 1.00 0.91 C ATOM 204 CG2 VAL A 13 9.801 -2.958 4.891 1.00 1.65 C ATOM 0 H VAL A 13 11.715 0.049 2.781 1.00 0.54 H new ATOM 0 HA VAL A 13 11.180 -0.500 5.650 1.00 0.63 H new ATOM 0 HB VAL A 13 8.974 -0.969 4.810 1.00 0.77 H new ATOM 0 HG11 VAL A 13 8.584 -2.067 2.621 1.00 0.91 H new ATOM 0 HG12 VAL A 13 9.523 -0.568 2.425 1.00 0.91 H new ATOM 0 HG13 VAL A 13 10.341 -2.146 2.348 1.00 0.91 H new ATOM 0 HG21 VAL A 13 8.847 -3.445 4.688 1.00 1.65 H new ATOM 0 HG22 VAL A 13 10.604 -3.520 4.414 1.00 1.65 H new ATOM 0 HG23 VAL A 13 9.970 -2.926 5.967 1.00 1.65 H new ATOM 214 N PHE A 14 12.754 -2.429 5.473 1.00 0.61 N ATOM 215 CA PHE A 14 13.882 -3.396 5.337 1.00 0.67 C ATOM 216 C PHE A 14 13.348 -4.832 5.311 1.00 0.75 C ATOM 217 O PHE A 14 13.457 -5.562 6.275 1.00 1.46 O ATOM 218 CB PHE A 14 14.747 -3.171 6.577 1.00 0.79 C ATOM 219 CG PHE A 14 16.089 -2.618 6.165 1.00 0.87 C ATOM 220 CD1 PHE A 14 16.217 -1.919 4.958 1.00 1.52 C ATOM 221 CD2 PHE A 14 17.207 -2.803 6.988 1.00 1.54 C ATOM 222 CE1 PHE A 14 17.461 -1.405 4.575 1.00 1.64 C ATOM 223 CE2 PHE A 14 18.451 -2.289 6.604 1.00 1.62 C ATOM 224 CZ PHE A 14 18.578 -1.591 5.398 1.00 1.18 C ATOM 0 H PHE A 14 12.416 -2.288 6.425 1.00 0.61 H new ATOM 0 HA PHE A 14 14.443 -3.248 4.414 1.00 0.67 H new ATOM 0 HB2 PHE A 14 14.251 -2.479 7.258 1.00 0.79 H new ATOM 0 HB3 PHE A 14 14.879 -4.109 7.116 1.00 0.79 H new ATOM 0 HD1 PHE A 14 15.355 -1.777 4.323 1.00 1.52 H new ATOM 0 HD2 PHE A 14 17.109 -3.342 7.919 1.00 1.54 H new ATOM 0 HE1 PHE A 14 17.559 -0.865 3.645 1.00 1.64 H new ATOM 0 HE2 PHE A 14 19.313 -2.431 7.239 1.00 1.62 H new ATOM 0 HZ PHE A 14 19.538 -1.196 5.102 1.00 1.18 H new ATOM 234 N VAL A 15 12.767 -5.240 4.215 1.00 0.48 N ATOM 235 CA VAL A 15 12.224 -6.628 4.132 1.00 0.48 C ATOM 236 C VAL A 15 11.960 -7.175 5.537 1.00 0.56 C ATOM 237 O VAL A 15 12.874 -7.504 6.268 1.00 0.72 O ATOM 238 CB VAL A 15 13.313 -7.443 3.435 1.00 0.52 C ATOM 239 CG1 VAL A 15 12.908 -8.920 3.410 1.00 1.02 C ATOM 240 CG2 VAL A 15 13.489 -6.941 2.001 1.00 1.26 C ATOM 0 H VAL A 15 12.645 -4.674 3.375 1.00 0.48 H new ATOM 0 HA VAL A 15 11.279 -6.669 3.591 1.00 0.48 H new ATOM 0 HB VAL A 15 14.252 -7.331 3.977 1.00 0.52 H new ATOM 0 HG11 VAL A 15 13.684 -9.502 2.913 1.00 1.02 H new ATOM 0 HG12 VAL A 15 12.782 -9.280 4.431 1.00 1.02 H new ATOM 0 HG13 VAL A 15 11.969 -9.031 2.868 1.00 1.02 H new ATOM 0 HG21 VAL A 15 14.266 -7.523 1.505 1.00 1.26 H new ATOM 0 HG22 VAL A 15 12.550 -7.052 1.459 1.00 1.26 H new ATOM 0 HG23 VAL A 15 13.777 -5.890 2.016 1.00 1.26 H new ATOM 250 N GLY A 16 10.716 -7.277 5.921 1.00 0.74 N ATOM 251 CA GLY A 16 10.396 -7.805 7.277 1.00 0.95 C ATOM 252 C GLY A 16 9.663 -6.735 8.087 1.00 0.89 C ATOM 253 O GLY A 16 8.748 -7.025 8.831 1.00 1.04 O ATOM 0 H GLY A 16 9.909 -7.018 5.354 1.00 0.74 H new ATOM 0 HA2 GLY A 16 9.778 -8.699 7.193 1.00 0.95 H new ATOM 0 HA3 GLY A 16 11.312 -8.098 7.789 1.00 0.95 H new ATOM 257 N GLU A 17 10.057 -5.498 7.952 1.00 0.79 N ATOM 258 CA GLU A 17 9.379 -4.413 8.718 1.00 0.86 C ATOM 259 C GLU A 17 7.890 -4.364 8.359 1.00 0.73 C ATOM 260 O GLU A 17 7.281 -5.371 8.057 1.00 0.84 O ATOM 261 CB GLU A 17 10.080 -3.124 8.289 1.00 0.90 C ATOM 262 CG GLU A 17 10.930 -2.598 9.448 1.00 1.40 C ATOM 263 CD GLU A 17 12.081 -1.753 8.896 1.00 1.91 C ATOM 264 OE1 GLU A 17 13.130 -2.318 8.628 1.00 2.46 O ATOM 265 OE2 GLU A 17 11.896 -0.556 8.753 1.00 2.49 O ATOM 0 H GLU A 17 10.818 -5.192 7.345 1.00 0.79 H new ATOM 0 HA GLU A 17 9.440 -4.568 9.795 1.00 0.86 H new ATOM 0 HB2 GLU A 17 10.708 -3.311 7.418 1.00 0.90 H new ATOM 0 HB3 GLU A 17 9.343 -2.377 7.995 1.00 0.90 H new ATOM 0 HG2 GLU A 17 10.316 -2.000 10.121 1.00 1.40 H new ATOM 0 HG3 GLU A 17 11.323 -3.431 10.031 1.00 1.40 H new ATOM 272 N THR A 18 7.301 -3.202 8.394 1.00 0.77 N ATOM 273 CA THR A 18 5.853 -3.088 8.056 1.00 0.66 C ATOM 274 C THR A 18 5.572 -1.743 7.380 1.00 0.65 C ATOM 275 O THR A 18 5.755 -0.693 7.964 1.00 0.94 O ATOM 276 CB THR A 18 5.128 -3.179 9.401 1.00 0.80 C ATOM 277 OG1 THR A 18 5.956 -3.859 10.336 1.00 1.03 O ATOM 278 CG2 THR A 18 3.815 -3.944 9.229 1.00 1.26 C ATOM 0 H THR A 18 7.759 -2.325 8.642 1.00 0.77 H new ATOM 0 HA THR A 18 5.525 -3.863 7.363 1.00 0.66 H new ATOM 0 HB THR A 18 4.912 -2.175 9.766 1.00 0.80 H new ATOM 0 HG1 THR A 18 5.495 -3.918 11.199 1.00 1.03 H new ATOM 0 HG21 THR A 18 3.302 -4.007 10.189 1.00 1.26 H new ATOM 0 HG22 THR A 18 3.181 -3.422 8.512 1.00 1.26 H new ATOM 0 HG23 THR A 18 4.025 -4.949 8.864 1.00 1.26 H new ATOM 286 N ALA A 19 5.130 -1.766 6.151 1.00 0.61 N ATOM 287 CA ALA A 19 4.839 -0.489 5.438 1.00 0.61 C ATOM 288 C ALA A 19 3.471 0.050 5.865 1.00 0.52 C ATOM 289 O ALA A 19 2.655 -0.668 6.408 1.00 0.65 O ATOM 290 CB ALA A 19 4.832 -0.855 3.953 1.00 0.74 C ATOM 0 H ALA A 19 4.958 -2.614 5.610 1.00 0.61 H new ATOM 0 HA ALA A 19 5.572 0.286 5.661 1.00 0.61 H new ATOM 0 HB1 ALA A 19 4.624 0.035 3.360 1.00 0.74 H new ATOM 0 HB2 ALA A 19 5.805 -1.258 3.673 1.00 0.74 H new ATOM 0 HB3 ALA A 19 4.062 -1.603 3.766 1.00 0.74 H new ATOM 296 N HIS A 20 3.213 1.306 5.629 1.00 0.51 N ATOM 297 CA HIS A 20 1.896 1.882 6.028 1.00 0.47 C ATOM 298 C HIS A 20 1.354 2.801 4.928 1.00 0.46 C ATOM 299 O HIS A 20 2.053 3.653 4.417 1.00 0.68 O ATOM 300 CB HIS A 20 2.185 2.681 7.299 1.00 0.57 C ATOM 301 CG HIS A 20 1.656 1.934 8.492 1.00 1.06 C ATOM 302 ND1 HIS A 20 2.084 2.205 9.783 1.00 2.00 N ATOM 303 CD2 HIS A 20 0.733 0.924 8.607 1.00 1.34 C ATOM 304 CE1 HIS A 20 1.425 1.374 10.611 1.00 2.52 C ATOM 305 NE2 HIS A 20 0.588 0.572 9.945 1.00 2.11 N ATOM 0 H HIS A 20 3.855 1.958 5.178 1.00 0.51 H new ATOM 0 HA HIS A 20 1.143 1.110 6.189 1.00 0.47 H new ATOM 0 HB2 HIS A 20 3.258 2.842 7.404 1.00 0.57 H new ATOM 0 HB3 HIS A 20 1.719 3.665 7.237 1.00 0.57 H new ATOM 0 HD1 HIS A 20 2.773 2.906 10.055 1.00 2.00 H new ATOM 0 HD2 HIS A 20 0.200 0.471 7.784 1.00 1.34 H new ATOM 0 HE1 HIS A 20 1.556 1.357 11.683 1.00 2.52 H new ATOM 313 N PHE A 21 0.112 2.635 4.564 1.00 0.34 N ATOM 314 CA PHE A 21 -0.479 3.499 3.502 1.00 0.35 C ATOM 315 C PHE A 21 -1.886 3.946 3.911 1.00 0.38 C ATOM 316 O PHE A 21 -2.780 3.141 4.073 1.00 0.59 O ATOM 317 CB PHE A 21 -0.537 2.614 2.256 1.00 0.35 C ATOM 318 CG PHE A 21 0.867 2.284 1.808 1.00 0.39 C ATOM 319 CD1 PHE A 21 1.643 3.253 1.163 1.00 1.34 C ATOM 320 CD2 PHE A 21 1.393 1.006 2.041 1.00 1.23 C ATOM 321 CE1 PHE A 21 2.945 2.948 0.750 1.00 1.40 C ATOM 322 CE2 PHE A 21 2.696 0.700 1.627 1.00 1.26 C ATOM 323 CZ PHE A 21 3.472 1.671 0.982 1.00 0.63 C ATOM 0 H PHE A 21 -0.520 1.937 4.957 1.00 0.34 H new ATOM 0 HA PHE A 21 0.105 4.403 3.330 1.00 0.35 H new ATOM 0 HB2 PHE A 21 -1.086 1.698 2.473 1.00 0.35 H new ATOM 0 HB3 PHE A 21 -1.074 3.126 1.458 1.00 0.35 H new ATOM 0 HD1 PHE A 21 1.237 4.238 0.984 1.00 1.34 H new ATOM 0 HD2 PHE A 21 0.794 0.258 2.539 1.00 1.23 H new ATOM 0 HE1 PHE A 21 3.543 3.697 0.253 1.00 1.40 H new ATOM 0 HE2 PHE A 21 3.102 -0.285 1.805 1.00 1.26 H new ATOM 0 HZ PHE A 21 4.477 1.435 0.663 1.00 0.63 H new ATOM 333 N GLU A 22 -2.087 5.224 4.084 1.00 0.39 N ATOM 334 CA GLU A 22 -3.436 5.718 4.490 1.00 0.43 C ATOM 335 C GLU A 22 -4.070 6.544 3.367 1.00 0.37 C ATOM 336 O GLU A 22 -3.393 7.048 2.492 1.00 0.39 O ATOM 337 CB GLU A 22 -3.183 6.593 5.718 1.00 0.56 C ATOM 338 CG GLU A 22 -2.938 5.702 6.937 1.00 0.88 C ATOM 339 CD GLU A 22 -1.953 6.390 7.883 1.00 1.46 C ATOM 340 OE1 GLU A 22 -1.910 7.610 7.879 1.00 2.02 O ATOM 341 OE2 GLU A 22 -1.257 5.686 8.598 1.00 2.06 O ATOM 0 H GLU A 22 -1.378 5.947 3.962 1.00 0.39 H new ATOM 0 HA GLU A 22 -4.123 4.899 4.702 1.00 0.43 H new ATOM 0 HB2 GLU A 22 -2.321 7.238 5.547 1.00 0.56 H new ATOM 0 HB3 GLU A 22 -4.039 7.244 5.896 1.00 0.56 H new ATOM 0 HG2 GLU A 22 -3.878 5.507 7.453 1.00 0.88 H new ATOM 0 HG3 GLU A 22 -2.542 4.737 6.621 1.00 0.88 H new ATOM 348 N ILE A 23 -5.367 6.688 3.389 1.00 0.37 N ATOM 349 CA ILE A 23 -6.055 7.482 2.330 1.00 0.35 C ATOM 350 C ILE A 23 -7.518 7.713 2.715 1.00 0.38 C ATOM 351 O ILE A 23 -8.279 6.783 2.888 1.00 0.44 O ATOM 352 CB ILE A 23 -5.962 6.626 1.067 1.00 0.34 C ATOM 353 CG1 ILE A 23 -6.706 7.322 -0.076 1.00 0.41 C ATOM 354 CG2 ILE A 23 -6.598 5.259 1.329 1.00 0.34 C ATOM 355 CD1 ILE A 23 -6.055 6.952 -1.410 1.00 0.65 C ATOM 0 H ILE A 23 -5.983 6.289 4.097 1.00 0.37 H new ATOM 0 HA ILE A 23 -5.603 8.464 2.189 1.00 0.35 H new ATOM 0 HB ILE A 23 -4.915 6.494 0.794 1.00 0.34 H new ATOM 0 HG12 ILE A 23 -7.754 7.024 -0.076 1.00 0.41 H new ATOM 0 HG13 ILE A 23 -6.682 8.403 0.065 1.00 0.41 H new ATOM 0 HG21 ILE A 23 -6.532 4.648 0.429 1.00 0.34 H new ATOM 0 HG22 ILE A 23 -6.071 4.763 2.144 1.00 0.34 H new ATOM 0 HG23 ILE A 23 -7.645 5.391 1.602 1.00 0.34 H new ATOM 0 HD11 ILE A 23 -6.585 7.448 -2.223 1.00 0.65 H new ATOM 0 HD12 ILE A 23 -5.013 7.272 -1.408 1.00 0.65 H new ATOM 0 HD13 ILE A 23 -6.102 5.872 -1.551 1.00 0.65 H new ATOM 367 N GLU A 24 -7.918 8.948 2.855 1.00 0.49 N ATOM 368 CA GLU A 24 -9.332 9.235 3.232 1.00 0.54 C ATOM 369 C GLU A 24 -10.161 9.566 1.987 1.00 0.46 C ATOM 370 O GLU A 24 -9.686 10.198 1.064 1.00 0.62 O ATOM 371 CB GLU A 24 -9.256 10.446 4.161 1.00 0.72 C ATOM 372 CG GLU A 24 -9.894 10.098 5.508 1.00 1.13 C ATOM 373 CD GLU A 24 -9.385 11.066 6.579 1.00 1.72 C ATOM 374 OE1 GLU A 24 -9.649 12.250 6.454 1.00 2.38 O ATOM 375 OE2 GLU A 24 -8.740 10.606 7.507 1.00 2.18 O ATOM 0 H GLU A 24 -7.328 9.770 2.725 1.00 0.49 H new ATOM 0 HA GLU A 24 -9.810 8.381 3.711 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -8.217 10.743 4.305 1.00 0.72 H new ATOM 0 HB3 GLU A 24 -9.771 11.295 3.712 1.00 0.72 H new ATOM 0 HG2 GLU A 24 -10.980 10.158 5.435 1.00 1.13 H new ATOM 0 HG3 GLU A 24 -9.650 9.072 5.784 1.00 1.13 H new ATOM 382 N LEU A 25 -11.394 9.145 1.957 1.00 0.46 N ATOM 383 CA LEU A 25 -12.254 9.436 0.773 1.00 0.49 C ATOM 384 C LEU A 25 -13.265 10.536 1.114 1.00 0.58 C ATOM 385 O LEU A 25 -12.981 11.438 1.878 1.00 1.03 O ATOM 386 CB LEU A 25 -12.971 8.120 0.472 1.00 0.62 C ATOM 387 CG LEU A 25 -11.952 6.983 0.423 1.00 0.52 C ATOM 388 CD1 LEU A 25 -12.618 5.724 -0.135 1.00 1.31 C ATOM 389 CD2 LEU A 25 -10.785 7.386 -0.481 1.00 1.04 C ATOM 0 H LEU A 25 -11.845 8.612 2.700 1.00 0.46 H new ATOM 0 HA LEU A 25 -11.677 9.789 -0.082 1.00 0.49 H new ATOM 0 HB2 LEU A 25 -13.720 7.918 1.238 1.00 0.62 H new ATOM 0 HB3 LEU A 25 -13.499 8.191 -0.479 1.00 0.62 H new ATOM 0 HG LEU A 25 -11.582 6.782 1.428 1.00 0.52 H new ATOM 0 HD11 LEU A 25 -11.891 4.913 -0.170 1.00 1.31 H new ATOM 0 HD12 LEU A 25 -13.451 5.438 0.508 1.00 1.31 H new ATOM 0 HD13 LEU A 25 -12.988 5.923 -1.141 1.00 1.31 H new ATOM 0 HD21 LEU A 25 -10.056 6.576 -0.517 1.00 1.04 H new ATOM 0 HD22 LEU A 25 -11.156 7.586 -1.486 1.00 1.04 H new ATOM 0 HD23 LEU A 25 -10.310 8.283 -0.084 1.00 1.04 H new ATOM 401 N SER A 26 -14.439 10.469 0.552 1.00 0.81 N ATOM 402 CA SER A 26 -15.464 11.512 0.844 1.00 0.91 C ATOM 403 C SER A 26 -16.758 10.862 1.337 1.00 0.91 C ATOM 404 O SER A 26 -17.451 11.395 2.181 1.00 1.11 O ATOM 405 CB SER A 26 -15.701 12.217 -0.490 1.00 1.04 C ATOM 406 OG SER A 26 -15.451 13.606 -0.336 1.00 1.45 O ATOM 0 H SER A 26 -14.734 9.739 -0.096 1.00 0.81 H new ATOM 0 HA SER A 26 -15.137 12.202 1.622 1.00 0.91 H new ATOM 0 HB2 SER A 26 -15.047 11.801 -1.256 1.00 1.04 H new ATOM 0 HB3 SER A 26 -16.726 12.055 -0.823 1.00 1.04 H new ATOM 0 HG SER A 26 -15.600 14.062 -1.191 1.00 1.45 H new ATOM 412 N GLU A 27 -17.092 9.716 0.813 1.00 0.97 N ATOM 413 CA GLU A 27 -18.345 9.035 1.246 1.00 1.07 C ATOM 414 C GLU A 27 -18.036 7.624 1.754 1.00 0.89 C ATOM 415 O GLU A 27 -17.266 6.902 1.152 1.00 1.04 O ATOM 416 CB GLU A 27 -19.211 8.977 -0.012 1.00 1.54 C ATOM 417 CG GLU A 27 -19.489 10.397 -0.505 1.00 1.90 C ATOM 418 CD GLU A 27 -20.743 10.400 -1.380 1.00 2.46 C ATOM 419 OE1 GLU A 27 -21.125 9.334 -1.838 1.00 2.70 O ATOM 420 OE2 GLU A 27 -21.301 11.466 -1.579 1.00 3.06 O ATOM 0 H GLU A 27 -16.552 9.221 0.103 1.00 0.97 H new ATOM 0 HA GLU A 27 -18.842 9.560 2.062 1.00 1.07 H new ATOM 0 HB2 GLU A 27 -18.705 8.403 -0.789 1.00 1.54 H new ATOM 0 HB3 GLU A 27 -20.149 8.465 0.203 1.00 1.54 H new ATOM 0 HG2 GLU A 27 -19.624 11.068 0.344 1.00 1.90 H new ATOM 0 HG3 GLU A 27 -18.636 10.769 -1.073 1.00 1.90 H new ATOM 427 N PRO A 28 -18.653 7.281 2.852 1.00 0.96 N ATOM 428 CA PRO A 28 -18.446 5.942 3.455 1.00 1.03 C ATOM 429 C PRO A 28 -19.162 4.868 2.631 1.00 1.15 C ATOM 430 O PRO A 28 -19.700 5.138 1.576 1.00 1.62 O ATOM 431 CB PRO A 28 -19.070 6.073 4.841 1.00 1.33 C ATOM 432 CG PRO A 28 -20.076 7.173 4.713 1.00 1.51 C ATOM 433 CD PRO A 28 -19.591 8.100 3.626 1.00 1.34 C ATOM 0 HA PRO A 28 -17.398 5.646 3.492 1.00 1.03 H new ATOM 0 HB2 PRO A 28 -19.542 5.141 5.150 1.00 1.33 H new ATOM 0 HB3 PRO A 28 -18.317 6.313 5.591 1.00 1.33 H new ATOM 0 HG2 PRO A 28 -21.057 6.769 4.464 1.00 1.51 H new ATOM 0 HG3 PRO A 28 -20.182 7.709 5.656 1.00 1.51 H new ATOM 0 HD2 PRO A 28 -20.415 8.455 3.007 1.00 1.34 H new ATOM 0 HD3 PRO A 28 -19.102 8.981 4.042 1.00 1.34 H new ATOM 441 N ASP A 29 -19.172 3.653 3.105 1.00 1.35 N ATOM 442 CA ASP A 29 -19.853 2.564 2.348 1.00 1.64 C ATOM 443 C ASP A 29 -19.124 2.306 1.026 1.00 1.47 C ATOM 444 O ASP A 29 -19.456 2.872 0.002 1.00 2.02 O ATOM 445 CB ASP A 29 -21.269 3.084 2.091 1.00 2.40 C ATOM 446 CG ASP A 29 -22.018 2.103 1.189 1.00 3.19 C ATOM 447 OD1 ASP A 29 -22.218 0.974 1.610 1.00 3.67 O ATOM 448 OD2 ASP A 29 -22.381 2.495 0.092 1.00 3.73 O ATOM 0 H ASP A 29 -18.739 3.367 3.983 1.00 1.35 H new ATOM 0 HA ASP A 29 -19.861 1.621 2.895 1.00 1.64 H new ATOM 0 HB2 ASP A 29 -21.800 3.204 3.035 1.00 2.40 H new ATOM 0 HB3 ASP A 29 -21.227 4.067 1.621 1.00 2.40 H new ATOM 453 N VAL A 30 -18.132 1.458 1.041 1.00 1.55 N ATOM 454 CA VAL A 30 -17.381 1.164 -0.214 1.00 1.84 C ATOM 455 C VAL A 30 -16.294 0.119 0.053 1.00 1.33 C ATOM 456 O VAL A 30 -16.125 -0.346 1.163 1.00 1.84 O ATOM 457 CB VAL A 30 -16.752 2.495 -0.623 1.00 2.98 C ATOM 458 CG1 VAL A 30 -15.427 2.231 -1.342 1.00 3.65 C ATOM 459 CG2 VAL A 30 -17.700 3.244 -1.563 1.00 3.70 C ATOM 0 H VAL A 30 -17.809 0.956 1.868 1.00 1.55 H new ATOM 0 HA VAL A 30 -18.026 0.761 -0.995 1.00 1.84 H new ATOM 0 HB VAL A 30 -16.572 3.099 0.266 1.00 2.98 H new ATOM 0 HG11 VAL A 30 -14.977 3.179 -1.635 1.00 3.65 H new ATOM 0 HG12 VAL A 30 -14.750 1.699 -0.674 1.00 3.65 H new ATOM 0 HG13 VAL A 30 -15.609 1.626 -2.230 1.00 3.65 H new ATOM 0 HG21 VAL A 30 -17.250 4.193 -1.854 1.00 3.70 H new ATOM 0 HG22 VAL A 30 -17.882 2.641 -2.453 1.00 3.70 H new ATOM 0 HG23 VAL A 30 -18.645 3.432 -1.053 1.00 3.70 H new ATOM 469 N HIS A 31 -15.555 -0.251 -0.955 1.00 1.10 N ATOM 470 CA HIS A 31 -14.477 -1.263 -0.758 1.00 1.19 C ATOM 471 C HIS A 31 -13.515 -1.238 -1.948 1.00 1.01 C ATOM 472 O HIS A 31 -13.745 -1.874 -2.958 1.00 1.46 O ATOM 473 CB HIS A 31 -15.202 -2.606 -0.683 1.00 1.81 C ATOM 474 CG HIS A 31 -16.264 -2.660 -1.746 1.00 2.15 C ATOM 475 ND1 HIS A 31 -16.415 -1.976 -2.925 1.00 2.84 N flip ATOM 476 CD2 HIS A 31 -17.357 -3.507 -1.655 1.00 2.85 C flip ATOM 477 CE1 HIS A 31 -17.582 -2.388 -3.560 1.00 3.56 C flip ATOM 478 NE2 HIS A 31 -18.112 -3.310 -2.752 1.00 3.64 N flip ATOM 0 H HIS A 31 -15.650 0.103 -1.907 1.00 1.10 H new ATOM 0 HA HIS A 31 -13.885 -1.071 0.137 1.00 1.19 H new ATOM 0 HB2 HIS A 31 -14.493 -3.423 -0.820 1.00 1.81 H new ATOM 0 HB3 HIS A 31 -15.651 -2.735 0.302 1.00 1.81 H new ATOM 0 HD1 HIS A 31 -15.769 -1.272 -3.282 1.00 2.84 H new ATOM 0 HD2 HIS A 31 -17.565 -4.198 -0.852 1.00 2.85 H new ATOM 0 HE1 HIS A 31 -17.975 -2.038 -4.503 1.00 3.56 H new ATOM 486 N GLY A 32 -12.438 -0.509 -1.837 1.00 0.83 N ATOM 487 CA GLY A 32 -11.465 -0.444 -2.963 1.00 0.73 C ATOM 488 C GLY A 32 -10.480 -1.606 -2.853 1.00 0.64 C ATOM 489 O GLY A 32 -10.752 -2.604 -2.216 1.00 0.84 O ATOM 0 H GLY A 32 -12.191 0.044 -1.016 1.00 0.83 H new ATOM 0 HA2 GLY A 32 -11.992 -0.489 -3.916 1.00 0.73 H new ATOM 0 HA3 GLY A 32 -10.929 0.505 -2.940 1.00 0.73 H new ATOM 493 N GLN A 33 -9.337 -1.488 -3.470 1.00 0.53 N ATOM 494 CA GLN A 33 -8.334 -2.589 -3.401 1.00 0.54 C ATOM 495 C GLN A 33 -6.936 -2.051 -3.717 1.00 0.51 C ATOM 496 O GLN A 33 -6.715 -1.424 -4.733 1.00 0.56 O ATOM 497 CB GLN A 33 -8.775 -3.593 -4.467 1.00 0.67 C ATOM 498 CG GLN A 33 -8.482 -5.013 -3.979 1.00 1.03 C ATOM 499 CD GLN A 33 -9.432 -5.997 -4.664 1.00 1.69 C ATOM 500 OE1 GLN A 33 -10.066 -5.663 -5.646 1.00 2.38 O ATOM 501 NE2 GLN A 33 -9.558 -7.204 -4.187 1.00 2.23 N ATOM 0 H GLN A 33 -9.054 -0.677 -4.019 1.00 0.53 H new ATOM 0 HA GLN A 33 -8.284 -3.041 -2.410 1.00 0.54 H new ATOM 0 HB2 GLN A 33 -9.840 -3.479 -4.671 1.00 0.67 H new ATOM 0 HB3 GLN A 33 -8.249 -3.402 -5.402 1.00 0.67 H new ATOM 0 HG2 GLN A 33 -7.448 -5.278 -4.199 1.00 1.03 H new ATOM 0 HG3 GLN A 33 -8.603 -5.069 -2.897 1.00 1.03 H new ATOM 0 HE21 GLN A 33 -9.026 -7.485 -3.363 1.00 2.23 H new ATOM 0 HE22 GLN A 33 -10.188 -7.867 -4.638 1.00 2.23 H new ATOM 510 N TRP A 34 -5.990 -2.294 -2.852 1.00 0.53 N ATOM 511 CA TRP A 34 -4.607 -1.798 -3.105 1.00 0.52 C ATOM 512 C TRP A 34 -3.886 -2.724 -4.087 1.00 0.64 C ATOM 513 O TRP A 34 -4.248 -3.872 -4.253 1.00 0.77 O ATOM 514 CB TRP A 34 -3.923 -1.819 -1.743 1.00 0.51 C ATOM 515 CG TRP A 34 -4.684 -0.977 -0.791 1.00 0.43 C ATOM 516 CD1 TRP A 34 -5.960 -1.171 -0.424 1.00 0.47 C ATOM 517 CD2 TRP A 34 -4.224 0.189 -0.086 1.00 0.38 C ATOM 518 NE1 TRP A 34 -6.320 -0.181 0.479 1.00 0.47 N ATOM 519 CE2 TRP A 34 -5.270 0.687 0.716 1.00 0.40 C ATOM 520 CE3 TRP A 34 -3.000 0.847 -0.079 1.00 0.39 C ATOM 521 CZ2 TRP A 34 -5.098 1.821 1.513 1.00 0.42 C ATOM 522 CZ3 TRP A 34 -2.810 1.989 0.716 1.00 0.39 C ATOM 523 CH2 TRP A 34 -3.861 2.477 1.513 1.00 0.40 C ATOM 0 H TRP A 34 -6.114 -2.813 -1.983 1.00 0.53 H new ATOM 0 HA TRP A 34 -4.599 -0.801 -3.546 1.00 0.52 H new ATOM 0 HB2 TRP A 34 -3.862 -2.842 -1.371 1.00 0.51 H new ATOM 0 HB3 TRP A 34 -2.901 -1.451 -1.833 1.00 0.51 H new ATOM 0 HD1 TRP A 34 -6.601 -1.967 -0.774 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -7.240 -0.103 0.912 1.00 0.47 H new ATOM 0 HE3 TRP A 34 -2.189 0.478 -0.689 1.00 0.39 H new ATOM 0 HZ2 TRP A 34 -5.910 2.188 2.123 1.00 0.42 H new ATOM 0 HZ3 TRP A 34 -1.855 2.493 0.715 1.00 0.39 H new ATOM 0 HH2 TRP A 34 -3.714 3.356 2.124 1.00 0.40 H new ATOM 534 N LYS A 35 -2.867 -2.235 -4.742 1.00 0.68 N ATOM 535 CA LYS A 35 -2.126 -3.090 -5.714 1.00 0.83 C ATOM 536 C LYS A 35 -0.727 -2.518 -5.963 1.00 0.72 C ATOM 537 O LYS A 35 -0.570 -1.356 -6.284 1.00 1.04 O ATOM 538 CB LYS A 35 -2.963 -3.050 -6.994 1.00 1.00 C ATOM 539 CG LYS A 35 -2.041 -3.055 -8.216 1.00 1.39 C ATOM 540 CD LYS A 35 -2.847 -3.446 -9.459 1.00 2.04 C ATOM 541 CE LYS A 35 -3.107 -2.201 -10.311 1.00 2.49 C ATOM 542 NZ LYS A 35 -4.448 -2.429 -10.922 1.00 3.08 N ATOM 0 H LYS A 35 -2.516 -1.282 -4.646 1.00 0.68 H new ATOM 0 HA LYS A 35 -1.989 -4.108 -5.350 1.00 0.83 H new ATOM 0 HB2 LYS A 35 -3.633 -3.909 -7.029 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -3.589 -2.158 -7.003 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -1.595 -2.070 -8.353 1.00 1.39 H new ATOM 0 HG3 LYS A 35 -1.222 -3.758 -8.064 1.00 1.39 H new ATOM 0 HD2 LYS A 35 -2.302 -4.190 -10.040 1.00 2.04 H new ATOM 0 HD3 LYS A 35 -3.792 -3.902 -9.164 1.00 2.04 H new ATOM 0 HE2 LYS A 35 -3.098 -1.297 -9.702 1.00 2.49 H new ATOM 0 HE3 LYS A 35 -2.340 -2.078 -11.076 1.00 2.49 H new ATOM 0 HZ1 LYS A 35 -4.699 -1.617 -11.522 1.00 3.08 H new ATOM 0 HZ2 LYS A 35 -4.424 -3.293 -11.500 1.00 3.08 H new ATOM 0 HZ3 LYS A 35 -5.158 -2.536 -10.170 1.00 3.08 H new ATOM 556 N LEU A 36 0.290 -3.324 -5.817 1.00 0.51 N ATOM 557 CA LEU A 36 1.678 -2.826 -6.045 1.00 0.55 C ATOM 558 C LEU A 36 1.788 -2.193 -7.434 1.00 0.59 C ATOM 559 O LEU A 36 0.798 -1.849 -8.050 1.00 0.79 O ATOM 560 CB LEU A 36 2.568 -4.065 -5.947 1.00 0.65 C ATOM 561 CG LEU A 36 2.651 -4.523 -4.489 1.00 0.84 C ATOM 562 CD1 LEU A 36 2.847 -6.039 -4.441 1.00 1.10 C ATOM 563 CD2 LEU A 36 3.835 -3.835 -3.805 1.00 1.06 C ATOM 0 H LEU A 36 0.220 -4.306 -5.550 1.00 0.51 H new ATOM 0 HA LEU A 36 1.967 -2.062 -5.323 1.00 0.55 H new ATOM 0 HB2 LEU A 36 2.165 -4.865 -6.568 1.00 0.65 H new ATOM 0 HB3 LEU A 36 3.565 -3.840 -6.325 1.00 0.65 H new ATOM 0 HG LEU A 36 1.728 -4.259 -3.972 1.00 0.84 H new ATOM 0 HD11 LEU A 36 2.906 -6.366 -3.403 1.00 1.10 H new ATOM 0 HD12 LEU A 36 2.005 -6.530 -4.928 1.00 1.10 H new ATOM 0 HD13 LEU A 36 3.770 -6.303 -4.958 1.00 1.10 H new ATOM 0 HD21 LEU A 36 3.895 -4.161 -2.767 1.00 1.06 H new ATOM 0 HD22 LEU A 36 4.758 -4.099 -4.322 1.00 1.06 H new ATOM 0 HD23 LEU A 36 3.697 -2.754 -3.839 1.00 1.06 H new ATOM 575 N LYS A 37 2.983 -2.033 -7.934 1.00 0.75 N ATOM 576 CA LYS A 37 3.147 -1.420 -9.284 1.00 0.90 C ATOM 577 C LYS A 37 1.816 -1.458 -10.039 1.00 0.90 C ATOM 578 O LYS A 37 1.540 -0.620 -10.874 1.00 1.17 O ATOM 579 CB LYS A 37 4.191 -2.285 -9.991 1.00 1.11 C ATOM 580 CG LYS A 37 4.662 -1.578 -11.266 1.00 1.20 C ATOM 581 CD LYS A 37 4.941 -2.617 -12.353 1.00 1.66 C ATOM 582 CE LYS A 37 6.277 -2.308 -13.033 1.00 2.06 C ATOM 583 NZ LYS A 37 6.367 -0.821 -13.057 1.00 2.88 N ATOM 0 H LYS A 37 3.851 -2.299 -7.468 1.00 0.75 H new ATOM 0 HA LYS A 37 3.456 -0.376 -9.231 1.00 0.90 H new ATOM 0 HB2 LYS A 37 5.038 -2.466 -9.329 1.00 1.11 H new ATOM 0 HB3 LYS A 37 3.766 -3.258 -10.238 1.00 1.11 H new ATOM 0 HG2 LYS A 37 3.902 -0.875 -11.607 1.00 1.20 H new ATOM 0 HG3 LYS A 37 5.563 -0.999 -11.062 1.00 1.20 H new ATOM 0 HD2 LYS A 37 4.967 -3.616 -11.917 1.00 1.66 H new ATOM 0 HD3 LYS A 37 4.137 -2.611 -13.089 1.00 1.66 H new ATOM 0 HE2 LYS A 37 7.110 -2.744 -12.482 1.00 2.06 H new ATOM 0 HE3 LYS A 37 6.311 -2.721 -14.041 1.00 2.06 H new ATOM 0 HZ1 LYS A 37 6.889 -0.518 -13.904 1.00 2.88 H new ATOM 0 HZ2 LYS A 37 5.410 -0.416 -13.077 1.00 2.88 H new ATOM 0 HZ3 LYS A 37 6.865 -0.490 -12.206 1.00 2.88 H new ATOM 597 N GLY A 38 0.988 -2.426 -9.749 1.00 0.82 N ATOM 598 CA GLY A 38 -0.324 -2.518 -10.448 1.00 1.05 C ATOM 599 C GLY A 38 -0.787 -3.976 -10.478 1.00 1.00 C ATOM 600 O GLY A 38 -1.418 -4.417 -11.418 1.00 1.37 O ATOM 0 H GLY A 38 1.164 -3.156 -9.059 1.00 0.82 H new ATOM 0 HA2 GLY A 38 -1.064 -1.901 -9.938 1.00 1.05 H new ATOM 0 HA3 GLY A 38 -0.234 -2.133 -11.464 1.00 1.05 H new ATOM 604 N GLN A 39 -0.481 -4.727 -9.455 1.00 0.93 N ATOM 605 CA GLN A 39 -0.905 -6.158 -9.423 1.00 1.29 C ATOM 606 C GLN A 39 -1.845 -6.401 -8.237 1.00 1.08 C ATOM 607 O GLN A 39 -1.440 -6.303 -7.096 1.00 0.92 O ATOM 608 CB GLN A 39 0.390 -6.950 -9.246 1.00 1.74 C ATOM 609 CG GLN A 39 0.799 -7.579 -10.580 1.00 2.31 C ATOM 610 CD GLN A 39 0.297 -9.023 -10.639 1.00 2.97 C ATOM 611 OE1 GLN A 39 -0.888 -9.272 -10.536 1.00 3.59 O ATOM 612 NE2 GLN A 39 1.154 -9.994 -10.804 1.00 3.33 N ATOM 0 H GLN A 39 0.044 -4.412 -8.639 1.00 0.93 H new ATOM 0 HA GLN A 39 -1.443 -6.451 -10.325 1.00 1.29 H new ATOM 0 HB2 GLN A 39 1.182 -6.294 -8.885 1.00 1.74 H new ATOM 0 HB3 GLN A 39 0.252 -7.727 -8.494 1.00 1.74 H new ATOM 0 HG2 GLN A 39 0.383 -7.004 -11.408 1.00 2.31 H new ATOM 0 HG3 GLN A 39 1.883 -7.555 -10.688 1.00 2.31 H new ATOM 0 HE21 GLN A 39 2.149 -9.787 -10.891 1.00 3.33 H new ATOM 0 HE22 GLN A 39 0.829 -10.960 -10.846 1.00 3.33 H new ATOM 621 N PRO A 40 -3.076 -6.713 -8.550 1.00 1.23 N ATOM 622 CA PRO A 40 -4.086 -6.976 -7.496 1.00 1.15 C ATOM 623 C PRO A 40 -3.826 -8.331 -6.835 1.00 1.25 C ATOM 624 O PRO A 40 -4.361 -9.344 -7.241 1.00 1.63 O ATOM 625 CB PRO A 40 -5.407 -6.990 -8.258 1.00 1.53 C ATOM 626 CG PRO A 40 -5.040 -7.349 -9.663 1.00 1.83 C ATOM 627 CD PRO A 40 -3.636 -6.850 -9.899 1.00 1.59 C ATOM 0 HA PRO A 40 -4.070 -6.237 -6.695 1.00 1.15 H new ATOM 0 HB2 PRO A 40 -6.100 -7.716 -7.833 1.00 1.53 H new ATOM 0 HB3 PRO A 40 -5.898 -6.018 -8.214 1.00 1.53 H new ATOM 0 HG2 PRO A 40 -5.095 -8.427 -9.811 1.00 1.83 H new ATOM 0 HG3 PRO A 40 -5.734 -6.894 -10.370 1.00 1.83 H new ATOM 0 HD2 PRO A 40 -3.059 -7.552 -10.501 1.00 1.59 H new ATOM 0 HD3 PRO A 40 -3.635 -5.898 -10.430 1.00 1.59 H new ATOM 635 N LEU A 41 -3.010 -8.359 -5.820 1.00 1.11 N ATOM 636 CA LEU A 41 -2.718 -9.649 -5.136 1.00 1.44 C ATOM 637 C LEU A 41 -3.953 -10.124 -4.365 1.00 1.58 C ATOM 638 O LEU A 41 -5.042 -10.189 -4.900 1.00 1.96 O ATOM 639 CB LEU A 41 -1.570 -9.339 -4.176 1.00 1.74 C ATOM 640 CG LEU A 41 -1.938 -8.136 -3.307 1.00 2.11 C ATOM 641 CD1 LEU A 41 -1.174 -8.210 -1.983 1.00 2.57 C ATOM 642 CD2 LEU A 41 -1.565 -6.845 -4.039 1.00 2.90 C ATOM 0 H LEU A 41 -2.532 -7.545 -5.434 1.00 1.11 H new ATOM 0 HA LEU A 41 -2.456 -10.441 -5.837 1.00 1.44 H new ATOM 0 HB2 LEU A 41 -1.365 -10.205 -3.547 1.00 1.74 H new ATOM 0 HB3 LEU A 41 -0.660 -9.130 -4.738 1.00 1.74 H new ATOM 0 HG LEU A 41 -3.010 -8.145 -3.109 1.00 2.11 H new ATOM 0 HD11 LEU A 41 -1.436 -7.352 -1.363 1.00 2.57 H new ATOM 0 HD12 LEU A 41 -1.439 -9.129 -1.461 1.00 2.57 H new ATOM 0 HD13 LEU A 41 -0.102 -8.201 -2.180 1.00 2.57 H new ATOM 0 HD21 LEU A 41 -1.827 -5.987 -3.420 1.00 2.90 H new ATOM 0 HD22 LEU A 41 -0.493 -6.836 -4.237 1.00 2.90 H new ATOM 0 HD23 LEU A 41 -2.109 -6.791 -4.982 1.00 2.90 H new ATOM 654 N THR A 42 -3.794 -10.453 -3.113 1.00 1.78 N ATOM 655 CA THR A 42 -4.959 -10.919 -2.309 1.00 2.19 C ATOM 656 C THR A 42 -4.591 -10.956 -0.823 1.00 1.94 C ATOM 657 O THR A 42 -3.784 -11.755 -0.392 1.00 2.00 O ATOM 658 CB THR A 42 -5.263 -12.324 -2.830 1.00 2.91 C ATOM 659 OG1 THR A 42 -4.150 -12.804 -3.571 1.00 3.28 O ATOM 660 CG2 THR A 42 -6.496 -12.278 -3.733 1.00 3.51 C ATOM 0 H THR A 42 -2.907 -10.419 -2.611 1.00 1.78 H new ATOM 0 HA THR A 42 -5.821 -10.259 -2.403 1.00 2.19 H new ATOM 0 HB THR A 42 -5.455 -12.990 -1.989 1.00 2.91 H new ATOM 0 HG1 THR A 42 -4.343 -13.705 -3.904 1.00 3.28 H new ATOM 0 HG21 THR A 42 -6.713 -13.280 -4.104 1.00 3.51 H new ATOM 0 HG22 THR A 42 -7.350 -11.909 -3.164 1.00 3.51 H new ATOM 0 HG23 THR A 42 -6.306 -11.612 -4.575 1.00 3.51 H new ATOM 668 N ALA A 43 -5.178 -10.095 -0.037 1.00 2.15 N ATOM 669 CA ALA A 43 -4.863 -10.075 1.420 1.00 2.22 C ATOM 670 C ALA A 43 -4.656 -11.500 1.937 1.00 1.78 C ATOM 671 O ALA A 43 -5.584 -12.277 2.035 1.00 2.10 O ATOM 672 CB ALA A 43 -6.084 -9.440 2.081 1.00 3.09 C ATOM 0 H ALA A 43 -5.863 -9.403 -0.341 1.00 2.15 H new ATOM 0 HA ALA A 43 -3.948 -9.523 1.636 1.00 2.22 H new ATOM 0 HB1 ALA A 43 -5.929 -9.389 3.159 1.00 3.09 H new ATOM 0 HB2 ALA A 43 -6.229 -8.434 1.688 1.00 3.09 H new ATOM 0 HB3 ALA A 43 -6.967 -10.043 1.869 1.00 3.09 H new ATOM 678 N SER A 44 -3.444 -11.846 2.271 1.00 1.44 N ATOM 679 CA SER A 44 -3.177 -13.218 2.786 1.00 1.63 C ATOM 680 C SER A 44 -2.379 -13.143 4.089 1.00 1.53 C ATOM 681 O SER A 44 -2.589 -12.260 4.896 1.00 1.90 O ATOM 682 CB SER A 44 -2.351 -13.897 1.692 1.00 2.28 C ATOM 683 OG SER A 44 -3.078 -13.876 0.470 1.00 2.92 O ATOM 0 H SER A 44 -2.627 -11.238 2.210 1.00 1.44 H new ATOM 0 HA SER A 44 -4.094 -13.765 3.003 1.00 1.63 H new ATOM 0 HB2 SER A 44 -1.397 -13.384 1.569 1.00 2.28 H new ATOM 0 HB3 SER A 44 -2.125 -14.925 1.976 1.00 2.28 H new ATOM 0 HG SER A 44 -3.015 -12.985 0.067 1.00 2.92 H new ATOM 689 N PRO A 45 -1.484 -14.079 4.246 1.00 1.69 N ATOM 690 CA PRO A 45 -0.636 -14.124 5.460 1.00 2.18 C ATOM 691 C PRO A 45 0.411 -13.009 5.413 1.00 1.86 C ATOM 692 O PRO A 45 0.923 -12.580 6.427 1.00 2.05 O ATOM 693 CB PRO A 45 0.023 -15.499 5.383 1.00 2.85 C ATOM 694 CG PRO A 45 0.013 -15.853 3.930 1.00 2.74 C ATOM 695 CD PRO A 45 -1.180 -15.169 3.314 1.00 2.08 C ATOM 0 HA PRO A 45 -1.194 -13.979 6.385 1.00 2.18 H new ATOM 0 HB2 PRO A 45 1.040 -15.472 5.775 1.00 2.85 H new ATOM 0 HB3 PRO A 45 -0.527 -16.233 5.972 1.00 2.85 H new ATOM 0 HG2 PRO A 45 0.935 -15.527 3.448 1.00 2.74 H new ATOM 0 HG3 PRO A 45 -0.052 -16.933 3.797 1.00 2.74 H new ATOM 0 HD2 PRO A 45 -0.953 -14.790 2.318 1.00 2.08 H new ATOM 0 HD3 PRO A 45 -2.023 -15.853 3.211 1.00 2.08 H new ATOM 703 N ASP A 46 0.729 -12.534 4.240 1.00 1.57 N ATOM 704 CA ASP A 46 1.740 -11.445 4.125 1.00 1.48 C ATOM 705 C ASP A 46 1.050 -10.120 3.786 1.00 1.31 C ATOM 706 O ASP A 46 1.692 -9.121 3.533 1.00 1.68 O ATOM 707 CB ASP A 46 2.663 -11.877 2.985 1.00 1.62 C ATOM 708 CG ASP A 46 4.074 -12.111 3.529 1.00 2.00 C ATOM 709 OD1 ASP A 46 4.732 -11.137 3.853 1.00 2.60 O ATOM 710 OD2 ASP A 46 4.475 -13.262 3.608 1.00 2.53 O ATOM 0 H ASP A 46 0.332 -12.853 3.356 1.00 1.57 H new ATOM 0 HA ASP A 46 2.288 -11.290 5.054 1.00 1.48 H new ATOM 0 HB2 ASP A 46 2.285 -12.789 2.523 1.00 1.62 H new ATOM 0 HB3 ASP A 46 2.683 -11.111 2.210 1.00 1.62 H new ATOM 715 N CYS A 47 -0.256 -10.106 3.782 1.00 0.97 N ATOM 716 CA CYS A 47 -0.989 -8.847 3.461 1.00 0.84 C ATOM 717 C CYS A 47 -1.999 -8.532 4.567 1.00 0.82 C ATOM 718 O CYS A 47 -2.847 -9.338 4.893 1.00 1.03 O ATOM 719 CB CYS A 47 -1.708 -9.132 2.143 1.00 0.94 C ATOM 720 SG CYS A 47 -1.955 -7.580 1.245 1.00 1.34 S ATOM 0 H CYS A 47 -0.847 -10.912 3.987 1.00 0.97 H new ATOM 0 HA CYS A 47 -0.323 -7.988 3.382 1.00 0.84 H new ATOM 0 HB2 CYS A 47 -1.122 -9.825 1.539 1.00 0.94 H new ATOM 0 HB3 CYS A 47 -2.668 -9.610 2.336 1.00 0.94 H new ATOM 0 HG CYS A 47 -2.761 -7.781 0.245 1.00 1.34 H new ATOM 726 N GLU A 48 -1.913 -7.367 5.147 1.00 0.68 N ATOM 727 CA GLU A 48 -2.868 -7.005 6.233 1.00 0.75 C ATOM 728 C GLU A 48 -3.669 -5.758 5.844 1.00 0.70 C ATOM 729 O GLU A 48 -3.296 -4.646 6.156 1.00 0.95 O ATOM 730 CB GLU A 48 -1.986 -6.723 7.449 1.00 0.80 C ATOM 731 CG GLU A 48 -2.106 -7.877 8.445 1.00 1.64 C ATOM 732 CD GLU A 48 -2.174 -7.320 9.868 1.00 1.67 C ATOM 733 OE1 GLU A 48 -3.236 -6.860 10.252 1.00 2.19 O ATOM 734 OE2 GLU A 48 -1.162 -7.363 10.549 1.00 1.98 O ATOM 0 H GLU A 48 -1.224 -6.651 4.917 1.00 0.68 H new ATOM 0 HA GLU A 48 -3.594 -7.794 6.428 1.00 0.75 H new ATOM 0 HB2 GLU A 48 -0.948 -6.603 7.139 1.00 0.80 H new ATOM 0 HB3 GLU A 48 -2.288 -5.788 7.921 1.00 0.80 H new ATOM 0 HG2 GLU A 48 -2.998 -8.465 8.230 1.00 1.64 H new ATOM 0 HG3 GLU A 48 -1.252 -8.547 8.346 1.00 1.64 H new ATOM 741 N ILE A 49 -4.770 -5.939 5.164 1.00 0.74 N ATOM 742 CA ILE A 49 -5.597 -4.766 4.752 1.00 0.73 C ATOM 743 C ILE A 49 -6.771 -4.579 5.716 1.00 0.76 C ATOM 744 O ILE A 49 -7.654 -5.409 5.802 1.00 0.99 O ATOM 745 CB ILE A 49 -6.107 -5.113 3.354 1.00 0.89 C ATOM 746 CG1 ILE A 49 -5.047 -4.736 2.319 1.00 1.20 C ATOM 747 CG2 ILE A 49 -7.394 -4.336 3.069 1.00 1.55 C ATOM 748 CD1 ILE A 49 -5.492 -5.213 0.934 1.00 1.92 C ATOM 0 H ILE A 49 -5.133 -6.848 4.876 1.00 0.74 H new ATOM 0 HA ILE A 49 -5.027 -3.837 4.762 1.00 0.73 H new ATOM 0 HB ILE A 49 -6.310 -6.183 3.298 1.00 0.89 H new ATOM 0 HG12 ILE A 49 -4.898 -3.656 2.313 1.00 1.20 H new ATOM 0 HG13 ILE A 49 -4.091 -5.189 2.581 1.00 1.20 H new ATOM 0 HG21 ILE A 49 -7.756 -4.585 2.071 1.00 1.55 H new ATOM 0 HG22 ILE A 49 -8.151 -4.603 3.807 1.00 1.55 H new ATOM 0 HG23 ILE A 49 -7.193 -3.266 3.126 1.00 1.55 H new ATOM 0 HD11 ILE A 49 -4.736 -4.944 0.196 1.00 1.92 H new ATOM 0 HD12 ILE A 49 -5.619 -6.296 0.945 1.00 1.92 H new ATOM 0 HD13 ILE A 49 -6.438 -4.740 0.673 1.00 1.92 H new ATOM 760 N ILE A 50 -6.790 -3.492 6.437 1.00 0.72 N ATOM 761 CA ILE A 50 -7.910 -3.250 7.391 1.00 0.82 C ATOM 762 C ILE A 50 -8.593 -1.919 7.069 1.00 0.80 C ATOM 763 O ILE A 50 -8.079 -0.859 7.368 1.00 0.88 O ATOM 764 CB ILE A 50 -7.253 -3.196 8.770 1.00 0.92 C ATOM 765 CG1 ILE A 50 -7.756 -4.365 9.621 1.00 1.65 C ATOM 766 CG2 ILE A 50 -7.613 -1.878 9.458 1.00 1.61 C ATOM 767 CD1 ILE A 50 -6.937 -4.446 10.912 1.00 2.18 C ATOM 0 H ILE A 50 -6.079 -2.761 6.407 1.00 0.72 H new ATOM 0 HA ILE A 50 -8.676 -4.024 7.337 1.00 0.82 H new ATOM 0 HB ILE A 50 -6.171 -3.264 8.657 1.00 0.92 H new ATOM 0 HG12 ILE A 50 -8.812 -4.230 9.855 1.00 1.65 H new ATOM 0 HG13 ILE A 50 -7.670 -5.298 9.064 1.00 1.65 H new ATOM 0 HG21 ILE A 50 -7.144 -1.841 10.441 1.00 1.61 H new ATOM 0 HG22 ILE A 50 -7.257 -1.043 8.854 1.00 1.61 H new ATOM 0 HG23 ILE A 50 -8.695 -1.809 9.569 1.00 1.61 H new ATOM 0 HD11 ILE A 50 -7.295 -5.278 11.518 1.00 2.18 H new ATOM 0 HD12 ILE A 50 -5.886 -4.601 10.667 1.00 2.18 H new ATOM 0 HD13 ILE A 50 -7.046 -3.517 11.471 1.00 2.18 H new ATOM 779 N GLU A 51 -9.745 -1.964 6.458 1.00 0.81 N ATOM 780 CA GLU A 51 -10.456 -0.697 6.115 1.00 0.87 C ATOM 781 C GLU A 51 -11.889 -0.730 6.653 1.00 1.12 C ATOM 782 O GLU A 51 -12.593 -1.709 6.509 1.00 1.35 O ATOM 783 CB GLU A 51 -10.460 -0.649 4.587 1.00 0.88 C ATOM 784 CG GLU A 51 -11.219 -1.860 4.040 1.00 1.15 C ATOM 785 CD GLU A 51 -11.193 -1.832 2.510 1.00 1.52 C ATOM 786 OE1 GLU A 51 -12.019 -1.144 1.935 1.00 2.21 O ATOM 787 OE2 GLU A 51 -10.347 -2.501 1.941 1.00 1.95 O ATOM 0 H GLU A 51 -10.225 -2.821 6.181 1.00 0.81 H new ATOM 0 HA GLU A 51 -9.974 0.178 6.551 1.00 0.87 H new ATOM 0 HB2 GLU A 51 -10.929 0.273 4.243 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -9.437 -0.647 4.210 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -10.766 -2.782 4.405 1.00 1.15 H new ATOM 0 HG3 GLU A 51 -12.249 -1.848 4.397 1.00 1.15 H new ATOM 794 N ASP A 52 -12.326 0.336 7.269 1.00 1.17 N ATOM 795 CA ASP A 52 -13.715 0.366 7.811 1.00 1.48 C ATOM 796 C ASP A 52 -14.602 1.261 6.939 1.00 1.34 C ATOM 797 O ASP A 52 -15.587 1.809 7.394 1.00 1.62 O ATOM 798 CB ASP A 52 -13.578 0.944 9.222 1.00 1.75 C ATOM 799 CG ASP A 52 -14.301 0.036 10.218 1.00 2.27 C ATOM 800 OD1 ASP A 52 -13.916 -1.116 10.327 1.00 2.84 O ATOM 801 OD2 ASP A 52 -15.227 0.509 10.858 1.00 2.58 O ATOM 0 H ASP A 52 -11.782 1.186 7.420 1.00 1.17 H new ATOM 0 HA ASP A 52 -14.178 -0.621 7.822 1.00 1.48 H new ATOM 0 HB2 ASP A 52 -12.525 1.030 9.490 1.00 1.75 H new ATOM 0 HB3 ASP A 52 -13.999 1.949 9.257 1.00 1.75 H new ATOM 806 N GLY A 53 -14.262 1.409 5.686 1.00 1.14 N ATOM 807 CA GLY A 53 -15.084 2.261 4.781 1.00 1.16 C ATOM 808 C GLY A 53 -14.645 3.719 4.898 1.00 1.04 C ATOM 809 O GLY A 53 -13.558 4.091 4.500 1.00 1.27 O ATOM 0 H GLY A 53 -13.448 0.975 5.250 1.00 1.14 H new ATOM 0 HA2 GLY A 53 -14.977 1.921 3.751 1.00 1.16 H new ATOM 0 HA3 GLY A 53 -16.139 2.168 5.039 1.00 1.16 H new ATOM 813 N LYS A 54 -15.489 4.545 5.441 1.00 1.12 N ATOM 814 CA LYS A 54 -15.141 5.986 5.592 1.00 1.30 C ATOM 815 C LYS A 54 -13.622 6.156 5.676 1.00 1.07 C ATOM 816 O LYS A 54 -13.104 7.254 5.600 1.00 1.37 O ATOM 817 CB LYS A 54 -15.803 6.409 6.904 1.00 1.71 C ATOM 818 CG LYS A 54 -15.377 5.453 8.020 1.00 1.65 C ATOM 819 CD LYS A 54 -15.437 6.177 9.366 1.00 2.01 C ATOM 820 CE LYS A 54 -16.257 5.346 10.357 1.00 2.52 C ATOM 821 NZ LYS A 54 -16.273 6.150 11.611 1.00 3.02 N ATOM 0 H LYS A 54 -16.412 4.285 5.790 1.00 1.12 H new ATOM 0 HA LYS A 54 -15.480 6.588 4.749 1.00 1.30 H new ATOM 0 HB2 LYS A 54 -15.517 7.430 7.156 1.00 1.71 H new ATOM 0 HB3 LYS A 54 -16.888 6.400 6.796 1.00 1.71 H new ATOM 0 HG2 LYS A 54 -16.031 4.581 8.035 1.00 1.65 H new ATOM 0 HG3 LYS A 54 -14.366 5.090 7.836 1.00 1.65 H new ATOM 0 HD2 LYS A 54 -14.430 6.333 9.752 1.00 2.01 H new ATOM 0 HD3 LYS A 54 -15.887 7.162 9.241 1.00 2.01 H new ATOM 0 HE2 LYS A 54 -17.267 5.173 9.986 1.00 2.52 H new ATOM 0 HE3 LYS A 54 -15.805 4.368 10.521 1.00 2.52 H new ATOM 0 HZ1 LYS A 54 -16.817 5.646 12.340 1.00 3.02 H new ATOM 0 HZ2 LYS A 54 -15.298 6.293 11.944 1.00 3.02 H new ATOM 0 HZ3 LYS A 54 -16.715 7.073 11.426 1.00 3.02 H new ATOM 835 N LYS A 55 -12.904 5.078 5.836 1.00 0.75 N ATOM 836 CA LYS A 55 -11.420 5.178 5.929 1.00 0.63 C ATOM 837 C LYS A 55 -10.759 3.927 5.343 1.00 0.58 C ATOM 838 O LYS A 55 -11.342 2.862 5.310 1.00 0.81 O ATOM 839 CB LYS A 55 -11.132 5.287 7.427 1.00 0.85 C ATOM 840 CG LYS A 55 -10.828 6.740 7.783 1.00 1.23 C ATOM 841 CD LYS A 55 -9.413 6.837 8.351 1.00 1.57 C ATOM 842 CE LYS A 55 -9.214 8.211 8.989 1.00 2.04 C ATOM 843 NZ LYS A 55 -7.794 8.223 9.437 1.00 2.57 N ATOM 0 H LYS A 55 -13.281 4.133 5.906 1.00 0.75 H new ATOM 0 HA LYS A 55 -11.027 6.027 5.370 1.00 0.63 H new ATOM 0 HB2 LYS A 55 -11.989 4.933 8.000 1.00 0.85 H new ATOM 0 HB3 LYS A 55 -10.287 4.652 7.693 1.00 0.85 H new ATOM 0 HG2 LYS A 55 -10.921 7.370 6.898 1.00 1.23 H new ATOM 0 HG3 LYS A 55 -11.551 7.106 8.512 1.00 1.23 H new ATOM 0 HD2 LYS A 55 -9.252 6.054 9.092 1.00 1.57 H new ATOM 0 HD3 LYS A 55 -8.680 6.682 7.559 1.00 1.57 H new ATOM 0 HE2 LYS A 55 -9.410 9.011 8.274 1.00 2.04 H new ATOM 0 HE3 LYS A 55 -9.894 8.360 9.828 1.00 2.04 H new ATOM 0 HZ1 LYS A 55 -7.580 9.136 9.887 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 -7.639 7.455 10.121 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 -7.170 8.086 8.616 1.00 2.57 H new ATOM 857 N HIS A 56 -9.541 4.050 4.889 1.00 0.46 N ATOM 858 CA HIS A 56 -8.832 2.871 4.311 1.00 0.44 C ATOM 859 C HIS A 56 -7.384 2.842 4.807 1.00 0.44 C ATOM 860 O HIS A 56 -6.634 3.778 4.615 1.00 0.55 O ATOM 861 CB HIS A 56 -8.875 3.080 2.797 1.00 0.43 C ATOM 862 CG HIS A 56 -10.279 2.871 2.299 1.00 0.44 C ATOM 863 ND1 HIS A 56 -10.919 1.644 2.384 1.00 0.51 N ATOM 864 CD2 HIS A 56 -11.179 3.721 1.706 1.00 0.54 C ATOM 865 CE1 HIS A 56 -12.148 1.790 1.856 1.00 0.58 C ATOM 866 NE2 HIS A 56 -12.358 3.038 1.427 1.00 0.58 N ATOM 0 H HIS A 56 -9.005 4.918 4.893 1.00 0.46 H new ATOM 0 HA HIS A 56 -9.292 1.927 4.601 1.00 0.44 H new ATOM 0 HB2 HIS A 56 -8.536 4.086 2.549 1.00 0.43 H new ATOM 0 HB3 HIS A 56 -8.196 2.384 2.304 1.00 0.43 H new ATOM 0 HD2 HIS A 56 -10.999 4.763 1.489 1.00 0.54 H new ATOM 0 HE1 HIS A 56 -12.876 0.995 1.787 1.00 0.58 H new ATOM 0 HE2 HIS A 56 -13.201 3.410 0.989 1.00 0.58 H new ATOM 874 N ILE A 57 -6.983 1.777 5.450 1.00 0.42 N ATOM 875 CA ILE A 57 -5.585 1.701 5.962 1.00 0.43 C ATOM 876 C ILE A 57 -4.922 0.392 5.522 1.00 0.43 C ATOM 877 O ILE A 57 -5.490 -0.675 5.643 1.00 0.53 O ATOM 878 CB ILE A 57 -5.719 1.747 7.483 1.00 0.51 C ATOM 879 CG1 ILE A 57 -6.338 3.082 7.900 1.00 0.56 C ATOM 880 CG2 ILE A 57 -4.336 1.606 8.125 1.00 0.56 C ATOM 881 CD1 ILE A 57 -7.053 2.918 9.243 1.00 1.45 C ATOM 0 H ILE A 57 -7.562 0.959 5.642 1.00 0.42 H new ATOM 0 HA ILE A 57 -4.964 2.511 5.580 1.00 0.43 H new ATOM 0 HB ILE A 57 -6.358 0.929 7.814 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -5.563 3.845 7.980 1.00 0.56 H new ATOM 0 HG13 ILE A 57 -7.042 3.421 7.140 1.00 0.56 H new ATOM 0 HG21 ILE A 57 -4.434 1.639 9.210 1.00 0.56 H new ATOM 0 HG22 ILE A 57 -3.893 0.655 7.829 1.00 0.56 H new ATOM 0 HG23 ILE A 57 -3.696 2.423 7.793 1.00 0.56 H new ATOM 0 HD11 ILE A 57 -7.494 3.870 9.539 1.00 1.45 H new ATOM 0 HD12 ILE A 57 -7.839 2.168 9.148 1.00 1.45 H new ATOM 0 HD13 ILE A 57 -6.337 2.599 10.000 1.00 1.45 H new ATOM 893 N LEU A 58 -3.720 0.467 5.019 1.00 0.37 N ATOM 894 CA LEU A 58 -3.014 -0.771 4.578 1.00 0.38 C ATOM 895 C LEU A 58 -1.848 -1.070 5.522 1.00 0.40 C ATOM 896 O LEU A 58 -1.296 -0.183 6.143 1.00 0.48 O ATOM 897 CB LEU A 58 -2.502 -0.456 3.172 1.00 0.38 C ATOM 898 CG LEU A 58 -1.756 -1.670 2.614 1.00 0.41 C ATOM 899 CD1 LEU A 58 -2.751 -2.611 1.930 1.00 1.04 C ATOM 900 CD2 LEU A 58 -0.719 -1.202 1.591 1.00 1.09 C ATOM 0 H LEU A 58 -3.195 1.333 4.894 1.00 0.37 H new ATOM 0 HA LEU A 58 -3.664 -1.646 4.585 1.00 0.38 H new ATOM 0 HB2 LEU A 58 -3.336 -0.198 2.520 1.00 0.38 H new ATOM 0 HB3 LEU A 58 -1.840 0.409 3.200 1.00 0.38 H new ATOM 0 HG LEU A 58 -1.257 -2.196 3.428 1.00 0.41 H new ATOM 0 HD11 LEU A 58 -2.220 -3.476 1.532 1.00 1.04 H new ATOM 0 HD12 LEU A 58 -3.494 -2.943 2.654 1.00 1.04 H new ATOM 0 HD13 LEU A 58 -3.248 -2.085 1.115 1.00 1.04 H new ATOM 0 HD21 LEU A 58 -0.186 -2.065 1.192 1.00 1.09 H new ATOM 0 HD22 LEU A 58 -1.221 -0.678 0.778 1.00 1.09 H new ATOM 0 HD23 LEU A 58 -0.010 -0.529 2.073 1.00 1.09 H new ATOM 912 N ILE A 59 -1.468 -2.312 5.639 1.00 0.40 N ATOM 913 CA ILE A 59 -0.337 -2.660 6.548 1.00 0.44 C ATOM 914 C ILE A 59 0.444 -3.854 5.992 1.00 0.47 C ATOM 915 O ILE A 59 0.191 -4.990 6.338 1.00 0.65 O ATOM 916 CB ILE A 59 -0.999 -3.022 7.877 1.00 0.51 C ATOM 917 CG1 ILE A 59 -1.596 -1.760 8.506 1.00 0.52 C ATOM 918 CG2 ILE A 59 0.044 -3.617 8.826 1.00 0.61 C ATOM 919 CD1 ILE A 59 -2.443 -2.144 9.720 1.00 1.13 C ATOM 0 H ILE A 59 -1.889 -3.100 5.147 1.00 0.40 H new ATOM 0 HA ILE A 59 0.375 -1.841 6.655 1.00 0.44 H new ATOM 0 HB ILE A 59 -1.788 -3.754 7.702 1.00 0.51 H new ATOM 0 HG12 ILE A 59 -0.799 -1.079 8.806 1.00 0.52 H new ATOM 0 HG13 ILE A 59 -2.208 -1.232 7.775 1.00 0.52 H new ATOM 0 HG21 ILE A 59 -0.430 -3.874 9.773 1.00 0.61 H new ATOM 0 HG22 ILE A 59 0.473 -4.514 8.379 1.00 0.61 H new ATOM 0 HG23 ILE A 59 0.834 -2.887 9.003 1.00 0.61 H new ATOM 0 HD11 ILE A 59 -2.867 -1.245 10.167 1.00 1.13 H new ATOM 0 HD12 ILE A 59 -3.248 -2.808 9.406 1.00 1.13 H new ATOM 0 HD13 ILE A 59 -1.818 -2.653 10.453 1.00 1.13 H new ATOM 931 N LEU A 60 1.393 -3.605 5.132 1.00 0.44 N ATOM 932 CA LEU A 60 2.189 -4.726 4.555 1.00 0.49 C ATOM 933 C LEU A 60 3.351 -5.082 5.487 1.00 0.53 C ATOM 934 O LEU A 60 4.039 -4.219 5.996 1.00 0.86 O ATOM 935 CB LEU A 60 2.713 -4.195 3.221 1.00 0.53 C ATOM 936 CG LEU A 60 1.787 -4.652 2.093 1.00 0.71 C ATOM 937 CD1 LEU A 60 1.884 -3.674 0.922 1.00 0.95 C ATOM 938 CD2 LEU A 60 2.205 -6.048 1.626 1.00 0.93 C ATOM 0 H LEU A 60 1.652 -2.675 4.804 1.00 0.44 H new ATOM 0 HA LEU A 60 1.596 -5.632 4.427 1.00 0.49 H new ATOM 0 HB2 LEU A 60 2.765 -3.106 3.245 1.00 0.53 H new ATOM 0 HB3 LEU A 60 3.725 -4.558 3.045 1.00 0.53 H new ATOM 0 HG LEU A 60 0.760 -4.681 2.457 1.00 0.71 H new ATOM 0 HD11 LEU A 60 1.223 -4.001 0.119 1.00 0.95 H new ATOM 0 HD12 LEU A 60 1.587 -2.679 1.253 1.00 0.95 H new ATOM 0 HD13 LEU A 60 2.911 -3.644 0.557 1.00 0.95 H new ATOM 0 HD21 LEU A 60 1.546 -6.375 0.822 1.00 0.93 H new ATOM 0 HD22 LEU A 60 3.232 -6.018 1.263 1.00 0.93 H new ATOM 0 HD23 LEU A 60 2.135 -6.747 2.460 1.00 0.93 H new ATOM 950 N HIS A 61 3.572 -6.347 5.716 1.00 0.55 N ATOM 951 CA HIS A 61 4.685 -6.759 6.617 1.00 0.60 C ATOM 952 C HIS A 61 5.921 -7.150 5.798 1.00 0.58 C ATOM 953 O HIS A 61 6.016 -6.859 4.622 1.00 0.67 O ATOM 954 CB HIS A 61 4.139 -7.962 7.387 1.00 0.76 C ATOM 955 CG HIS A 61 3.180 -7.484 8.447 1.00 0.82 C ATOM 956 ND1 HIS A 61 3.583 -7.245 9.752 1.00 0.94 N ATOM 957 CD2 HIS A 61 1.838 -7.193 8.411 1.00 0.86 C ATOM 958 CE1 HIS A 61 2.503 -6.831 10.441 1.00 1.02 C ATOM 959 NE2 HIS A 61 1.413 -6.780 9.670 1.00 0.96 N ATOM 0 H HIS A 61 3.030 -7.114 5.318 1.00 0.55 H new ATOM 0 HA HIS A 61 4.998 -5.956 7.284 1.00 0.60 H new ATOM 0 HB2 HIS A 61 3.633 -8.645 6.705 1.00 0.76 H new ATOM 0 HB3 HIS A 61 4.958 -8.517 7.845 1.00 0.76 H new ATOM 0 HD2 HIS A 61 1.208 -7.273 7.537 1.00 0.86 H new ATOM 0 HE1 HIS A 61 2.516 -6.572 11.489 1.00 1.02 H new ATOM 0 HE2 HIS A 61 0.472 -6.499 9.945 1.00 0.96 H new ATOM 967 N ASN A 62 6.870 -7.803 6.414 1.00 0.81 N ATOM 968 CA ASN A 62 8.105 -8.209 5.680 1.00 0.91 C ATOM 969 C ASN A 62 7.897 -8.084 4.169 1.00 0.71 C ATOM 970 O ASN A 62 7.649 -9.056 3.483 1.00 0.74 O ATOM 971 CB ASN A 62 8.336 -9.669 6.068 1.00 1.26 C ATOM 972 CG ASN A 62 8.494 -10.516 4.803 1.00 1.73 C ATOM 973 OD1 ASN A 62 8.889 -10.017 3.769 1.00 2.46 O ATOM 974 ND2 ASN A 62 8.201 -11.786 4.844 1.00 2.10 N ATOM 0 H ASN A 62 6.843 -8.074 7.397 1.00 0.81 H new ATOM 0 HA ASN A 62 8.957 -7.578 5.934 1.00 0.91 H new ATOM 0 HB2 ASN A 62 9.228 -9.754 6.689 1.00 1.26 H new ATOM 0 HB3 ASN A 62 7.498 -10.035 6.661 1.00 1.26 H new ATOM 0 HD21 ASN A 62 8.304 -12.360 4.007 1.00 2.10 H new ATOM 0 HD22 ASN A 62 7.869 -12.205 5.713 1.00 2.10 H new ATOM 981 N CYS A 63 8.002 -6.893 3.646 1.00 0.60 N ATOM 982 CA CYS A 63 7.817 -6.702 2.178 1.00 0.54 C ATOM 983 C CYS A 63 9.061 -7.180 1.424 1.00 0.55 C ATOM 984 O CYS A 63 10.178 -6.886 1.800 1.00 0.73 O ATOM 985 CB CYS A 63 7.623 -5.198 1.993 1.00 0.47 C ATOM 986 SG CYS A 63 6.499 -4.575 3.267 1.00 0.51 S ATOM 0 H CYS A 63 8.208 -6.043 4.171 1.00 0.60 H new ATOM 0 HA CYS A 63 6.971 -7.271 1.791 1.00 0.54 H new ATOM 0 HB2 CYS A 63 8.583 -4.686 2.058 1.00 0.47 H new ATOM 0 HB3 CYS A 63 7.218 -4.992 1.002 1.00 0.47 H new ATOM 0 HG CYS A 63 5.975 -5.576 3.910 1.00 0.51 H new ATOM 992 N GLN A 64 8.875 -7.923 0.369 1.00 0.65 N ATOM 993 CA GLN A 64 10.032 -8.432 -0.405 1.00 0.74 C ATOM 994 C GLN A 64 10.651 -7.332 -1.264 1.00 0.62 C ATOM 995 O GLN A 64 10.286 -6.176 -1.178 1.00 0.60 O ATOM 996 CB GLN A 64 9.447 -9.533 -1.285 1.00 0.94 C ATOM 997 CG GLN A 64 10.341 -10.756 -1.178 1.00 1.45 C ATOM 998 CD GLN A 64 9.553 -11.929 -0.595 1.00 1.82 C ATOM 999 OE1 GLN A 64 8.619 -12.413 -1.201 1.00 2.48 O ATOM 1000 NE2 GLN A 64 9.900 -12.410 0.568 1.00 2.12 N ATOM 0 H GLN A 64 7.961 -8.200 0.010 1.00 0.65 H new ATOM 0 HA GLN A 64 10.830 -8.792 0.244 1.00 0.74 H new ATOM 0 HB2 GLN A 64 8.433 -9.775 -0.966 1.00 0.94 H new ATOM 0 HB3 GLN A 64 9.384 -9.198 -2.320 1.00 0.94 H new ATOM 0 HG2 GLN A 64 10.729 -11.021 -2.162 1.00 1.45 H new ATOM 0 HG3 GLN A 64 11.201 -10.534 -0.546 1.00 1.45 H new ATOM 0 HE21 GLN A 64 10.685 -12.002 1.075 1.00 2.12 H new ATOM 0 HE22 GLN A 64 9.386 -13.194 0.969 1.00 2.12 H new ATOM 1009 N LEU A 65 11.591 -7.691 -2.095 1.00 0.66 N ATOM 1010 CA LEU A 65 12.250 -6.683 -2.969 1.00 0.74 C ATOM 1011 C LEU A 65 11.328 -6.318 -4.137 1.00 0.82 C ATOM 1012 O LEU A 65 11.316 -5.197 -4.606 1.00 1.20 O ATOM 1013 CB LEU A 65 13.510 -7.383 -3.479 1.00 0.79 C ATOM 1014 CG LEU A 65 14.675 -6.393 -3.500 1.00 1.09 C ATOM 1015 CD1 LEU A 65 15.198 -6.193 -2.077 1.00 1.51 C ATOM 1016 CD2 LEU A 65 15.796 -6.951 -4.380 1.00 1.63 C ATOM 0 H LEU A 65 11.932 -8.646 -2.206 1.00 0.66 H new ATOM 0 HA LEU A 65 12.478 -5.756 -2.443 1.00 0.74 H new ATOM 0 HB2 LEU A 65 13.752 -8.231 -2.838 1.00 0.79 H new ATOM 0 HB3 LEU A 65 13.338 -7.779 -4.480 1.00 0.79 H new ATOM 0 HG LEU A 65 14.336 -5.438 -3.900 1.00 1.09 H new ATOM 0 HD11 LEU A 65 16.029 -5.487 -2.090 1.00 1.51 H new ATOM 0 HD12 LEU A 65 14.399 -5.801 -1.447 1.00 1.51 H new ATOM 0 HD13 LEU A 65 15.540 -7.148 -1.677 1.00 1.51 H new ATOM 0 HD21 LEU A 65 16.629 -6.248 -4.398 1.00 1.63 H new ATOM 0 HD22 LEU A 65 16.135 -7.905 -3.976 1.00 1.63 H new ATOM 0 HD23 LEU A 65 15.424 -7.098 -5.394 1.00 1.63 H new ATOM 1028 N GLY A 66 10.551 -7.259 -4.606 1.00 0.78 N ATOM 1029 CA GLY A 66 9.627 -6.968 -5.740 1.00 0.89 C ATOM 1030 C GLY A 66 8.779 -5.743 -5.399 1.00 0.86 C ATOM 1031 O GLY A 66 8.698 -4.800 -6.161 1.00 1.35 O ATOM 0 H GLY A 66 10.517 -8.215 -4.253 1.00 0.78 H new ATOM 0 HA2 GLY A 66 10.197 -6.788 -6.651 1.00 0.89 H new ATOM 0 HA3 GLY A 66 8.985 -7.828 -5.931 1.00 0.89 H new ATOM 1035 N MET A 67 8.150 -5.750 -4.256 1.00 0.59 N ATOM 1036 CA MET A 67 7.311 -4.589 -3.860 1.00 0.53 C ATOM 1037 C MET A 67 7.954 -3.283 -4.336 1.00 0.52 C ATOM 1038 O MET A 67 7.430 -2.207 -4.120 1.00 0.85 O ATOM 1039 CB MET A 67 7.262 -4.648 -2.334 1.00 0.59 C ATOM 1040 CG MET A 67 6.259 -5.721 -1.910 1.00 0.60 C ATOM 1041 SD MET A 67 5.573 -5.308 -0.287 1.00 0.80 S ATOM 1042 CE MET A 67 4.372 -6.658 -0.196 1.00 1.23 C ATOM 0 H MET A 67 8.182 -6.512 -3.579 1.00 0.59 H new ATOM 0 HA MET A 67 6.315 -4.623 -4.301 1.00 0.53 H new ATOM 0 HB2 MET A 67 8.250 -4.877 -1.934 1.00 0.59 H new ATOM 0 HB3 MET A 67 6.971 -3.679 -1.929 1.00 0.59 H new ATOM 0 HG2 MET A 67 5.458 -5.795 -2.646 1.00 0.60 H new ATOM 0 HG3 MET A 67 6.748 -6.695 -1.872 1.00 0.60 H new ATOM 0 HE1 MET A 67 4.284 -6.998 0.836 1.00 1.23 H new ATOM 0 HE2 MET A 67 3.402 -6.306 -0.546 1.00 1.23 H new ATOM 0 HE3 MET A 67 4.705 -7.485 -0.823 1.00 1.23 H new ATOM 1052 N THR A 68 9.085 -3.368 -4.985 1.00 0.57 N ATOM 1053 CA THR A 68 9.759 -2.131 -5.476 1.00 0.57 C ATOM 1054 C THR A 68 8.902 -1.452 -6.547 1.00 0.54 C ATOM 1055 O THR A 68 9.146 -1.589 -7.729 1.00 0.81 O ATOM 1056 CB THR A 68 11.083 -2.609 -6.075 1.00 0.71 C ATOM 1057 OG1 THR A 68 11.481 -3.814 -5.438 1.00 0.94 O ATOM 1058 CG2 THR A 68 12.156 -1.539 -5.867 1.00 1.06 C ATOM 0 H THR A 68 9.571 -4.240 -5.196 1.00 0.57 H new ATOM 0 HA THR A 68 9.912 -1.402 -4.680 1.00 0.57 H new ATOM 0 HB THR A 68 10.956 -2.788 -7.143 1.00 0.71 H new ATOM 0 HG1 THR A 68 11.135 -4.580 -5.942 1.00 0.94 H new ATOM 0 HG21 THR A 68 13.099 -1.881 -6.294 1.00 1.06 H new ATOM 0 HG22 THR A 68 11.849 -0.616 -6.358 1.00 1.06 H new ATOM 0 HG23 THR A 68 12.286 -1.357 -4.800 1.00 1.06 H new ATOM 1066 N GLY A 69 7.901 -0.718 -6.145 1.00 0.64 N ATOM 1067 CA GLY A 69 7.033 -0.035 -7.144 1.00 0.62 C ATOM 1068 C GLY A 69 6.248 1.088 -6.463 1.00 0.56 C ATOM 1069 O GLY A 69 6.764 1.800 -5.624 1.00 0.63 O ATOM 0 H GLY A 69 7.647 -0.562 -5.169 1.00 0.64 H new ATOM 0 HA2 GLY A 69 7.642 0.372 -7.951 1.00 0.62 H new ATOM 0 HA3 GLY A 69 6.346 -0.752 -7.593 1.00 0.62 H new ATOM 1073 N GLU A 70 5.002 1.249 -6.816 1.00 0.51 N ATOM 1074 CA GLU A 70 4.181 2.325 -6.189 1.00 0.47 C ATOM 1075 C GLU A 70 2.860 1.747 -5.680 1.00 0.47 C ATOM 1076 O GLU A 70 2.300 0.840 -6.265 1.00 0.62 O ATOM 1077 CB GLU A 70 3.927 3.337 -7.306 1.00 0.50 C ATOM 1078 CG GLU A 70 4.140 2.668 -8.666 1.00 1.22 C ATOM 1079 CD GLU A 70 4.117 3.730 -9.767 1.00 1.33 C ATOM 1080 OE1 GLU A 70 3.071 4.326 -9.965 1.00 2.08 O ATOM 1081 OE2 GLU A 70 5.145 3.930 -10.392 1.00 1.50 O ATOM 0 H GLU A 70 4.516 0.682 -7.511 1.00 0.51 H new ATOM 0 HA GLU A 70 4.682 2.781 -5.335 1.00 0.47 H new ATOM 0 HB2 GLU A 70 2.910 3.724 -7.235 1.00 0.50 H new ATOM 0 HB3 GLU A 70 4.600 4.188 -7.199 1.00 0.50 H new ATOM 0 HG2 GLU A 70 5.092 2.138 -8.677 1.00 1.22 H new ATOM 0 HG3 GLU A 70 3.361 1.927 -8.845 1.00 1.22 H new ATOM 1088 N VAL A 71 2.356 2.264 -4.594 1.00 0.43 N ATOM 1089 CA VAL A 71 1.072 1.745 -4.047 1.00 0.44 C ATOM 1090 C VAL A 71 -0.105 2.535 -4.627 1.00 0.45 C ATOM 1091 O VAL A 71 -0.477 3.575 -4.121 1.00 0.57 O ATOM 1092 CB VAL A 71 1.174 1.958 -2.538 1.00 0.45 C ATOM 1093 CG1 VAL A 71 -0.229 2.016 -1.934 1.00 0.45 C ATOM 1094 CG2 VAL A 71 1.951 0.796 -1.914 1.00 0.49 C ATOM 0 H VAL A 71 2.779 3.024 -4.061 1.00 0.43 H new ATOM 0 HA VAL A 71 0.904 0.698 -4.299 1.00 0.44 H new ATOM 0 HB VAL A 71 1.693 2.895 -2.336 1.00 0.45 H new ATOM 0 HG11 VAL A 71 -0.156 2.168 -0.857 1.00 0.45 H new ATOM 0 HG12 VAL A 71 -0.783 2.842 -2.380 1.00 0.45 H new ATOM 0 HG13 VAL A 71 -0.750 1.080 -2.134 1.00 0.45 H new ATOM 0 HG21 VAL A 71 2.026 0.945 -0.837 1.00 0.49 H new ATOM 0 HG22 VAL A 71 1.430 -0.140 -2.116 1.00 0.49 H new ATOM 0 HG23 VAL A 71 2.951 0.754 -2.345 1.00 0.49 H new ATOM 1104 N SER A 72 -0.689 2.050 -5.687 1.00 0.46 N ATOM 1105 CA SER A 72 -1.839 2.774 -6.301 1.00 0.49 C ATOM 1106 C SER A 72 -3.160 2.188 -5.801 1.00 0.49 C ATOM 1107 O SER A 72 -3.523 1.076 -6.132 1.00 0.65 O ATOM 1108 CB SER A 72 -1.688 2.553 -7.805 1.00 0.55 C ATOM 1109 OG SER A 72 -1.816 1.165 -8.091 1.00 0.98 O ATOM 0 H SER A 72 -0.421 1.184 -6.155 1.00 0.46 H new ATOM 0 HA SER A 72 -1.845 3.833 -6.044 1.00 0.49 H new ATOM 0 HB2 SER A 72 -2.447 3.119 -8.345 1.00 0.55 H new ATOM 0 HB3 SER A 72 -0.718 2.918 -8.142 1.00 0.55 H new ATOM 0 HG SER A 72 -2.244 0.713 -7.334 1.00 0.98 H new ATOM 1115 N PHE A 73 -3.883 2.927 -5.004 1.00 0.39 N ATOM 1116 CA PHE A 73 -5.182 2.413 -4.483 1.00 0.39 C ATOM 1117 C PHE A 73 -6.302 2.704 -5.486 1.00 0.44 C ATOM 1118 O PHE A 73 -6.242 3.655 -6.239 1.00 0.52 O ATOM 1119 CB PHE A 73 -5.416 3.176 -3.179 1.00 0.40 C ATOM 1120 CG PHE A 73 -6.713 2.720 -2.556 1.00 0.38 C ATOM 1121 CD1 PHE A 73 -6.917 1.362 -2.279 1.00 1.24 C ATOM 1122 CD2 PHE A 73 -7.712 3.653 -2.256 1.00 1.23 C ATOM 1123 CE1 PHE A 73 -8.119 0.939 -1.703 1.00 1.24 C ATOM 1124 CE2 PHE A 73 -8.916 3.229 -1.679 1.00 1.26 C ATOM 1125 CZ PHE A 73 -9.119 1.872 -1.402 1.00 0.46 C ATOM 0 H PHE A 73 -3.630 3.864 -4.691 1.00 0.39 H new ATOM 0 HA PHE A 73 -5.168 1.335 -4.325 1.00 0.39 H new ATOM 0 HB2 PHE A 73 -4.589 3.003 -2.491 1.00 0.40 H new ATOM 0 HB3 PHE A 73 -5.450 4.248 -3.373 1.00 0.40 H new ATOM 0 HD1 PHE A 73 -6.146 0.642 -2.510 1.00 1.24 H new ATOM 0 HD2 PHE A 73 -7.555 4.700 -2.469 1.00 1.23 H new ATOM 0 HE1 PHE A 73 -8.276 -0.108 -1.490 1.00 1.24 H new ATOM 0 HE2 PHE A 73 -9.687 3.949 -1.448 1.00 1.26 H new ATOM 0 HZ PHE A 73 -10.047 1.545 -0.956 1.00 0.46 H new ATOM 1135 N GLN A 74 -7.323 1.892 -5.503 1.00 0.50 N ATOM 1136 CA GLN A 74 -8.444 2.124 -6.459 1.00 0.59 C ATOM 1137 C GLN A 74 -9.788 2.021 -5.734 1.00 0.55 C ATOM 1138 O GLN A 74 -10.036 1.087 -4.997 1.00 0.64 O ATOM 1139 CB GLN A 74 -8.311 1.016 -7.503 1.00 0.76 C ATOM 1140 CG GLN A 74 -8.140 1.638 -8.890 1.00 1.34 C ATOM 1141 CD GLN A 74 -8.672 0.672 -9.951 1.00 1.63 C ATOM 1142 OE1 GLN A 74 -8.833 -0.504 -9.693 1.00 1.93 O ATOM 1143 NE2 GLN A 74 -8.953 1.122 -11.143 1.00 2.39 N ATOM 0 H GLN A 74 -7.430 1.078 -4.897 1.00 0.50 H new ATOM 0 HA GLN A 74 -8.403 3.115 -6.910 1.00 0.59 H new ATOM 0 HB2 GLN A 74 -7.455 0.383 -7.269 1.00 0.76 H new ATOM 0 HB3 GLN A 74 -9.194 0.378 -7.486 1.00 0.76 H new ATOM 0 HG2 GLN A 74 -8.676 2.586 -8.944 1.00 1.34 H new ATOM 0 HG3 GLN A 74 -7.088 1.856 -9.076 1.00 1.34 H new ATOM 0 HE21 GLN A 74 -8.818 2.109 -11.360 1.00 2.39 H new ATOM 0 HE22 GLN A 74 -9.308 0.486 -11.858 1.00 2.39 H new ATOM 1152 N ALA A 75 -10.657 2.972 -5.938 1.00 0.72 N ATOM 1153 CA ALA A 75 -11.984 2.925 -5.259 1.00 0.77 C ATOM 1154 C ALA A 75 -12.982 3.834 -5.981 1.00 0.95 C ATOM 1155 O ALA A 75 -12.693 4.975 -6.282 1.00 1.75 O ATOM 1156 CB ALA A 75 -11.721 3.438 -3.842 1.00 0.80 C ATOM 0 H ALA A 75 -10.507 3.779 -6.544 1.00 0.72 H new ATOM 0 HA ALA A 75 -12.412 1.922 -5.258 1.00 0.77 H new ATOM 0 HB1 ALA A 75 -12.652 3.434 -3.275 1.00 0.80 H new ATOM 0 HB2 ALA A 75 -10.994 2.792 -3.350 1.00 0.80 H new ATOM 0 HB3 ALA A 75 -11.329 4.454 -3.890 1.00 0.80 H new ATOM 1162 N ALA A 76 -14.156 3.336 -6.260 1.00 0.89 N ATOM 1163 CA ALA A 76 -15.176 4.170 -6.961 1.00 0.97 C ATOM 1164 C ALA A 76 -14.512 5.027 -8.042 1.00 0.94 C ATOM 1165 O ALA A 76 -14.226 4.564 -9.128 1.00 1.41 O ATOM 1166 CB ALA A 76 -15.782 5.055 -5.872 1.00 1.13 C ATOM 0 H ALA A 76 -14.454 2.387 -6.033 1.00 0.89 H new ATOM 0 HA ALA A 76 -15.931 3.562 -7.460 1.00 0.97 H new ATOM 0 HB1 ALA A 76 -16.544 5.700 -6.310 1.00 1.13 H new ATOM 0 HB2 ALA A 76 -16.235 4.428 -5.104 1.00 1.13 H new ATOM 0 HB3 ALA A 76 -15.000 5.669 -5.425 1.00 1.13 H new ATOM 1172 N ASN A 77 -14.269 6.277 -7.754 1.00 1.06 N ATOM 1173 CA ASN A 77 -13.629 7.165 -8.769 1.00 1.12 C ATOM 1174 C ASN A 77 -12.334 7.765 -8.213 1.00 1.11 C ATOM 1175 O ASN A 77 -11.674 8.549 -8.865 1.00 1.39 O ATOM 1176 CB ASN A 77 -14.659 8.263 -9.037 1.00 1.29 C ATOM 1177 CG ASN A 77 -13.939 9.583 -9.315 1.00 1.11 C ATOM 1178 OD1 ASN A 77 -12.987 9.623 -10.069 1.00 1.72 O ATOM 1179 ND2 ASN A 77 -14.356 10.673 -8.733 1.00 1.48 N ATOM 0 H ASN A 77 -14.485 6.722 -6.862 1.00 1.06 H new ATOM 0 HA ASN A 77 -13.360 6.626 -9.677 1.00 1.12 H new ATOM 0 HB2 ASN A 77 -15.283 7.991 -9.888 1.00 1.29 H new ATOM 0 HB3 ASN A 77 -15.321 8.372 -8.178 1.00 1.29 H new ATOM 0 HD21 ASN A 77 -13.883 11.559 -8.911 1.00 1.48 H new ATOM 0 HD22 ASN A 77 -15.155 10.639 -8.100 1.00 1.48 H new ATOM 1186 N ALA A 78 -11.964 7.402 -7.015 1.00 1.11 N ATOM 1187 CA ALA A 78 -10.711 7.954 -6.425 1.00 1.14 C ATOM 1188 C ALA A 78 -9.506 7.125 -6.881 1.00 0.89 C ATOM 1189 O ALA A 78 -9.638 5.982 -7.269 1.00 1.02 O ATOM 1190 CB ALA A 78 -10.900 7.840 -4.912 1.00 1.34 C ATOM 0 H ALA A 78 -12.474 6.749 -6.420 1.00 1.11 H new ATOM 0 HA ALA A 78 -10.526 8.983 -6.734 1.00 1.14 H new ATOM 0 HB1 ALA A 78 -10.016 8.227 -4.405 1.00 1.34 H new ATOM 0 HB2 ALA A 78 -11.774 8.417 -4.610 1.00 1.34 H new ATOM 0 HB3 ALA A 78 -11.044 6.794 -4.641 1.00 1.34 H new ATOM 1196 N LYS A 79 -8.331 7.692 -6.837 1.00 0.76 N ATOM 1197 CA LYS A 79 -7.121 6.934 -7.271 1.00 0.67 C ATOM 1198 C LYS A 79 -5.858 7.571 -6.686 1.00 0.62 C ATOM 1199 O LYS A 79 -5.485 8.671 -7.041 1.00 0.88 O ATOM 1200 CB LYS A 79 -7.115 7.038 -8.796 1.00 0.90 C ATOM 1201 CG LYS A 79 -6.864 5.655 -9.402 1.00 1.46 C ATOM 1202 CD LYS A 79 -6.218 5.811 -10.780 1.00 1.93 C ATOM 1203 CE LYS A 79 -7.304 6.055 -11.829 1.00 2.58 C ATOM 1204 NZ LYS A 79 -6.676 5.682 -13.126 1.00 3.35 N ATOM 0 H LYS A 79 -8.156 8.646 -6.520 1.00 0.76 H new ATOM 0 HA LYS A 79 -7.140 5.898 -6.932 1.00 0.67 H new ATOM 0 HB2 LYS A 79 -8.068 7.433 -9.148 1.00 0.90 H new ATOM 0 HB3 LYS A 79 -6.342 7.735 -9.120 1.00 0.90 H new ATOM 0 HG2 LYS A 79 -6.215 5.072 -8.748 1.00 1.46 H new ATOM 0 HG3 LYS A 79 -7.803 5.108 -9.489 1.00 1.46 H new ATOM 0 HD2 LYS A 79 -5.513 6.643 -10.771 1.00 1.93 H new ATOM 0 HD3 LYS A 79 -5.650 4.915 -11.031 1.00 1.93 H new ATOM 0 HE2 LYS A 79 -8.188 5.450 -11.630 1.00 2.58 H new ATOM 0 HE3 LYS A 79 -7.625 7.097 -11.831 1.00 2.58 H new ATOM 0 HZ1 LYS A 79 -7.361 5.823 -13.896 1.00 3.35 H new ATOM 0 HZ2 LYS A 79 -5.841 6.279 -13.292 1.00 3.35 H new ATOM 0 HZ3 LYS A 79 -6.387 4.683 -13.097 1.00 3.35 H new ATOM 1218 N SER A 80 -5.197 6.887 -5.794 1.00 0.45 N ATOM 1219 CA SER A 80 -3.957 7.452 -5.189 1.00 0.42 C ATOM 1220 C SER A 80 -2.726 6.719 -5.733 1.00 0.40 C ATOM 1221 O SER A 80 -2.840 5.744 -6.449 1.00 0.45 O ATOM 1222 CB SER A 80 -4.107 7.216 -3.687 1.00 0.41 C ATOM 1223 OG SER A 80 -4.230 5.822 -3.441 1.00 1.22 O ATOM 0 H SER A 80 -5.461 5.961 -5.457 1.00 0.45 H new ATOM 0 HA SER A 80 -3.825 8.509 -5.421 1.00 0.42 H new ATOM 0 HB2 SER A 80 -3.243 7.616 -3.156 1.00 0.41 H new ATOM 0 HB3 SER A 80 -4.984 7.742 -3.310 1.00 0.41 H new ATOM 0 HG SER A 80 -4.293 5.664 -2.476 1.00 1.22 H new ATOM 1229 N ALA A 81 -1.552 7.182 -5.402 1.00 0.38 N ATOM 1230 CA ALA A 81 -0.319 6.510 -5.904 1.00 0.40 C ATOM 1231 C ALA A 81 0.905 6.983 -5.114 1.00 0.39 C ATOM 1232 O ALA A 81 1.441 8.046 -5.360 1.00 0.48 O ATOM 1233 CB ALA A 81 -0.208 6.935 -7.370 1.00 0.48 C ATOM 0 H ALA A 81 -1.393 7.995 -4.807 1.00 0.38 H new ATOM 0 HA ALA A 81 -0.366 5.427 -5.794 1.00 0.40 H new ATOM 0 HB1 ALA A 81 0.678 6.481 -7.814 1.00 0.48 H new ATOM 0 HB2 ALA A 81 -1.095 6.607 -7.912 1.00 0.48 H new ATOM 0 HB3 ALA A 81 -0.128 8.020 -7.429 1.00 0.48 H new ATOM 1239 N ALA A 82 1.350 6.202 -4.168 1.00 0.34 N ATOM 1240 CA ALA A 82 2.538 6.608 -3.362 1.00 0.38 C ATOM 1241 C ALA A 82 3.793 5.895 -3.872 1.00 0.34 C ATOM 1242 O ALA A 82 3.762 5.195 -4.865 1.00 0.37 O ATOM 1243 CB ALA A 82 2.216 6.167 -1.934 1.00 0.42 C ATOM 0 H ALA A 82 0.943 5.301 -3.918 1.00 0.34 H new ATOM 0 HA ALA A 82 2.733 7.679 -3.425 1.00 0.38 H new ATOM 0 HB1 ALA A 82 3.044 6.431 -1.276 1.00 0.42 H new ATOM 0 HB2 ALA A 82 1.309 6.668 -1.594 1.00 0.42 H new ATOM 0 HB3 ALA A 82 2.065 5.088 -1.912 1.00 0.42 H new ATOM 1249 N ASN A 83 4.896 6.066 -3.197 1.00 0.37 N ATOM 1250 CA ASN A 83 6.153 5.397 -3.639 1.00 0.36 C ATOM 1251 C ASN A 83 6.626 4.408 -2.570 1.00 0.38 C ATOM 1252 O ASN A 83 6.672 4.724 -1.398 1.00 0.58 O ATOM 1253 CB ASN A 83 7.166 6.528 -3.810 1.00 0.42 C ATOM 1254 CG ASN A 83 7.313 6.858 -5.296 1.00 1.31 C ATOM 1255 OD1 ASN A 83 6.723 6.208 -6.135 1.00 2.15 O ATOM 1256 ND2 ASN A 83 8.080 7.848 -5.660 1.00 1.90 N ATOM 0 H ASN A 83 4.982 6.640 -2.358 1.00 0.37 H new ATOM 0 HA ASN A 83 6.019 4.830 -4.560 1.00 0.36 H new ATOM 0 HB2 ASN A 83 6.838 7.411 -3.261 1.00 0.42 H new ATOM 0 HB3 ASN A 83 8.130 6.234 -3.394 1.00 0.42 H new ATOM 0 HD21 ASN A 83 8.184 8.076 -6.649 1.00 1.90 H new ATOM 0 HD22 ASN A 83 8.576 8.395 -4.956 1.00 1.90 H new ATOM 1263 N LEU A 84 6.972 3.213 -2.963 1.00 0.40 N ATOM 1264 CA LEU A 84 7.436 2.209 -1.964 1.00 0.44 C ATOM 1265 C LEU A 84 8.632 1.425 -2.511 1.00 0.43 C ATOM 1266 O LEU A 84 8.610 0.935 -3.622 1.00 0.51 O ATOM 1267 CB LEU A 84 6.240 1.281 -1.751 1.00 0.52 C ATOM 1268 CG LEU A 84 6.656 0.111 -0.858 1.00 0.64 C ATOM 1269 CD1 LEU A 84 6.948 0.625 0.553 1.00 0.87 C ATOM 1270 CD2 LEU A 84 5.522 -0.915 -0.802 1.00 1.19 C ATOM 0 H LEU A 84 6.954 2.889 -3.930 1.00 0.40 H new ATOM 0 HA LEU A 84 7.763 2.675 -1.035 1.00 0.44 H new ATOM 0 HB2 LEU A 84 5.418 1.829 -1.291 1.00 0.52 H new ATOM 0 HB3 LEU A 84 5.878 0.910 -2.710 1.00 0.52 H new ATOM 0 HG LEU A 84 7.551 -0.358 -1.266 1.00 0.64 H new ATOM 0 HD11 LEU A 84 7.244 -0.209 1.190 1.00 0.87 H new ATOM 0 HD12 LEU A 84 7.755 1.357 0.514 1.00 0.87 H new ATOM 0 HD13 LEU A 84 6.053 1.094 0.962 1.00 0.87 H new ATOM 0 HD21 LEU A 84 5.817 -1.749 -0.166 1.00 1.19 H new ATOM 0 HD22 LEU A 84 4.627 -0.446 -0.393 1.00 1.19 H new ATOM 0 HD23 LEU A 84 5.313 -1.281 -1.807 1.00 1.19 H new ATOM 1282 N LYS A 85 9.673 1.301 -1.736 1.00 0.43 N ATOM 1283 CA LYS A 85 10.868 0.544 -2.209 1.00 0.46 C ATOM 1284 C LYS A 85 11.313 -0.456 -1.139 1.00 0.44 C ATOM 1285 O LYS A 85 11.463 -0.115 0.019 1.00 0.53 O ATOM 1286 CB LYS A 85 11.949 1.602 -2.435 1.00 0.56 C ATOM 1287 CG LYS A 85 11.359 2.780 -3.212 1.00 1.39 C ATOM 1288 CD LYS A 85 12.486 3.724 -3.638 1.00 1.78 C ATOM 1289 CE LYS A 85 11.943 4.757 -4.628 1.00 2.53 C ATOM 1290 NZ LYS A 85 13.142 5.500 -5.103 1.00 2.93 N ATOM 0 H LYS A 85 9.749 1.690 -0.796 1.00 0.43 H new ATOM 0 HA LYS A 85 10.663 -0.026 -3.115 1.00 0.46 H new ATOM 0 HB2 LYS A 85 12.342 1.945 -1.478 1.00 0.56 H new ATOM 0 HB3 LYS A 85 12.784 1.171 -2.987 1.00 0.56 H new ATOM 0 HG2 LYS A 85 10.821 2.419 -4.089 1.00 1.39 H new ATOM 0 HG3 LYS A 85 10.638 3.313 -2.593 1.00 1.39 H new ATOM 0 HD2 LYS A 85 12.903 4.226 -2.765 1.00 1.78 H new ATOM 0 HD3 LYS A 85 13.296 3.156 -4.096 1.00 1.78 H new ATOM 0 HE2 LYS A 85 11.423 4.275 -5.456 1.00 2.53 H new ATOM 0 HE3 LYS A 85 11.228 5.426 -4.149 1.00 2.53 H new ATOM 0 HZ1 LYS A 85 12.851 6.228 -5.787 1.00 2.93 H new ATOM 0 HZ2 LYS A 85 13.612 5.953 -4.294 1.00 2.93 H new ATOM 0 HZ3 LYS A 85 13.801 4.839 -5.561 1.00 2.93 H new ATOM 1304 N VAL A 86 11.524 -1.685 -1.516 1.00 0.43 N ATOM 1305 CA VAL A 86 11.957 -2.707 -0.521 1.00 0.43 C ATOM 1306 C VAL A 86 13.482 -2.852 -0.548 1.00 0.51 C ATOM 1307 O VAL A 86 14.054 -3.320 -1.511 1.00 0.66 O ATOM 1308 CB VAL A 86 11.282 -4.003 -0.970 1.00 0.46 C ATOM 1309 CG1 VAL A 86 12.037 -5.202 -0.393 1.00 0.48 C ATOM 1310 CG2 VAL A 86 9.835 -4.020 -0.471 1.00 0.49 C ATOM 0 H VAL A 86 11.416 -2.027 -2.471 1.00 0.43 H new ATOM 0 HA VAL A 86 11.683 -2.439 0.499 1.00 0.43 H new ATOM 0 HB VAL A 86 11.293 -4.061 -2.058 1.00 0.46 H new ATOM 0 HG11 VAL A 86 11.554 -6.125 -0.714 1.00 0.48 H new ATOM 0 HG12 VAL A 86 13.067 -5.189 -0.749 1.00 0.48 H new ATOM 0 HG13 VAL A 86 12.028 -5.148 0.696 1.00 0.48 H new ATOM 0 HG21 VAL A 86 9.351 -4.943 -0.790 1.00 0.49 H new ATOM 0 HG22 VAL A 86 9.825 -3.962 0.617 1.00 0.49 H new ATOM 0 HG23 VAL A 86 9.297 -3.167 -0.885 1.00 0.49 H new ATOM 1320 N LYS A 87 14.143 -2.450 0.504 1.00 0.61 N ATOM 1321 CA LYS A 87 15.630 -2.561 0.537 1.00 0.73 C ATOM 1322 C LYS A 87 16.051 -3.825 1.294 1.00 0.71 C ATOM 1323 O LYS A 87 15.421 -4.225 2.253 1.00 0.79 O ATOM 1324 CB LYS A 87 16.102 -1.310 1.276 1.00 0.84 C ATOM 1325 CG LYS A 87 16.105 -0.120 0.314 1.00 1.15 C ATOM 1326 CD LYS A 87 16.594 1.129 1.050 1.00 1.41 C ATOM 1327 CE LYS A 87 17.826 1.692 0.338 1.00 1.73 C ATOM 1328 NZ LYS A 87 18.031 3.041 0.933 1.00 2.39 N ATOM 0 H LYS A 87 13.718 -2.050 1.341 1.00 0.61 H new ATOM 0 HA LYS A 87 16.062 -2.632 -0.461 1.00 0.73 H new ATOM 0 HB2 LYS A 87 15.446 -1.105 2.122 1.00 0.84 H new ATOM 0 HB3 LYS A 87 17.102 -1.468 1.679 1.00 0.84 H new ATOM 0 HG2 LYS A 87 16.751 -0.329 -0.538 1.00 1.15 H new ATOM 0 HG3 LYS A 87 15.102 0.046 -0.079 1.00 1.15 H new ATOM 0 HD2 LYS A 87 15.804 1.879 1.080 1.00 1.41 H new ATOM 0 HD3 LYS A 87 16.839 0.883 2.083 1.00 1.41 H new ATOM 0 HE2 LYS A 87 18.697 1.055 0.493 1.00 1.73 H new ATOM 0 HE3 LYS A 87 17.665 1.755 -0.738 1.00 1.73 H new ATOM 0 HZ1 LYS A 87 18.860 3.491 0.495 1.00 2.39 H new ATOM 0 HZ2 LYS A 87 17.189 3.627 0.764 1.00 2.39 H new ATOM 0 HZ3 LYS A 87 18.188 2.949 1.957 1.00 2.39 H new ATOM 1342 N GLU A 88 17.112 -4.455 0.869 1.00 0.87 N ATOM 1343 CA GLU A 88 17.573 -5.692 1.563 1.00 0.91 C ATOM 1344 C GLU A 88 18.388 -5.329 2.808 1.00 0.92 C ATOM 1345 O GLU A 88 18.597 -4.171 3.108 1.00 1.13 O ATOM 1346 CB GLU A 88 18.451 -6.415 0.541 1.00 1.17 C ATOM 1347 CG GLU A 88 17.571 -7.040 -0.542 1.00 1.84 C ATOM 1348 CD GLU A 88 18.432 -7.907 -1.463 1.00 2.21 C ATOM 1349 OE1 GLU A 88 19.030 -7.356 -2.372 1.00 2.68 O ATOM 1350 OE2 GLU A 88 18.480 -9.106 -1.242 1.00 2.54 O ATOM 0 H GLU A 88 17.680 -4.167 0.072 1.00 0.87 H new ATOM 0 HA GLU A 88 16.741 -6.311 1.898 1.00 0.91 H new ATOM 0 HB2 GLU A 88 19.155 -5.715 0.092 1.00 1.17 H new ATOM 0 HB3 GLU A 88 19.041 -7.187 1.035 1.00 1.17 H new ATOM 0 HG2 GLU A 88 16.787 -7.644 -0.085 1.00 1.84 H new ATOM 0 HG3 GLU A 88 17.076 -6.259 -1.119 1.00 1.84 H new ATOM 1357 N LEU A 89 18.850 -6.312 3.532 1.00 1.02 N ATOM 1358 CA LEU A 89 19.652 -6.026 4.758 1.00 1.22 C ATOM 1359 C LEU A 89 21.121 -5.800 4.388 1.00 1.42 C ATOM 1360 O LEU A 89 21.365 -5.214 3.346 1.00 1.81 O ATOM 1361 CB LEU A 89 19.506 -7.273 5.630 1.00 1.43 C ATOM 1362 CG LEU A 89 19.680 -6.893 7.101 1.00 1.83 C ATOM 1363 CD1 LEU A 89 18.305 -6.723 7.750 1.00 2.16 C ATOM 1364 CD2 LEU A 89 20.450 -7.999 7.826 1.00 2.29 C ATOM 1365 OXT LEU A 89 21.975 -6.218 5.152 1.00 1.96 O ATOM 0 H LEU A 89 18.707 -7.301 3.328 1.00 1.02 H new ATOM 0 HA LEU A 89 19.311 -5.128 5.273 1.00 1.22 H new ATOM 0 HB2 LEU A 89 18.527 -7.726 5.474 1.00 1.43 H new ATOM 0 HB3 LEU A 89 20.250 -8.017 5.346 1.00 1.43 H new ATOM 0 HG LEU A 89 20.234 -5.957 7.171 1.00 1.83 H new ATOM 0 HD11 LEU A 89 18.429 -6.452 8.799 1.00 2.16 H new ATOM 0 HD12 LEU A 89 17.754 -5.936 7.234 1.00 2.16 H new ATOM 0 HD13 LEU A 89 17.751 -7.659 7.680 1.00 2.16 H new ATOM 0 HD21 LEU A 89 20.574 -7.729 8.875 1.00 2.29 H new ATOM 0 HD22 LEU A 89 19.895 -8.935 7.756 1.00 2.29 H new ATOM 0 HD23 LEU A 89 21.430 -8.123 7.365 1.00 2.29 H new TER 1377 LEU A 89 END