USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) HEADER MUSCLE PROTEIN 23-JUN-96 1WIT TITLE TWITCHIN IMMUNOGLOBULIN SUPERFAMILY DOMAIN (IGSF MODULE) TITLE 2 (IG 18'), NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TWITCHIN 18TH IGSF MODULE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; SOURCE 3 ORGANISM_TAXID: 6239; SOURCE 4 ORGAN: BODY WALL MUSCLE; SOURCE 5 TISSUE: MUSCLE A-BAND; SOURCE 6 CELL: MUSCLE CELL; SOURCE 7 GENE: UNC-22; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: JM 109; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PRSETC (INVITROGEN); SOURCE 2 EXPRESSION_SYSTEM_GENE: UNC-22 KEYWDS IMMUNOGLOBULIN SUPERFAMILY, I SET, MUSCLE PROTEIN EXPDTA SOLUTION NMR AUTHOR S.FONG,M.BYCROFT REVDAT 2 24-FEB-09 1WIT 1 VERSN REVDAT 1 23-DEC-96 1WIT 0 JRNL AUTH S.FONG,S.J.HAMILL,M.PROCTOR,S.M.FREUND,G.M.BENIAN, JRNL AUTH 2 C.CHOTHIA,M.BYCROFT,J.CLARKE JRNL TITL STRUCTURE AND STABILITY OF AN IMMUNOGLOBULIN JRNL TITL 2 SUPERFAMILY DOMAIN FROM TWITCHIN, A MUSCLE PROTEIN JRNL TITL 3 OF THE NEMATODE CAENORHABDITIS ELEGANS. JRNL REF J.MOL.BIOL. V. 264 624 1996 JRNL REFN ISSN 0022-2836 JRNL PMID 8969309 JRNL DOI 10.1006/JMBI.1996.0665 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH G.M.BENIAN,S.W.L'HERNAULT,M.E.MORRIS REMARK 1 TITL ADDITIONAL SEQUENCE COMPLEXITY IN THE MUSCLE GENE, REMARK 1 TITL 2 UNC-22, AND ITS ENCODED PROTEIN, TWITCHIN, OF REMARK 1 TITL 3 CAENORHABDITIS ELEGANS REMARK 1 REF GENETICS V. 134 1097 1993 REMARK 1 REFN ISSN 0016-6731 REMARK 1 REFERENCE 2 REMARK 1 AUTH G.M.BENIAN,J.E.KIFF,N.NECKELMANN,D.G.MOERMAN, REMARK 1 AUTH 2 R.H.WATERSTON REMARK 1 TITL SEQUENCE OF AN UNUSUALLY LARGE PROTEIN IMPLICATED REMARK 1 TITL 2 IN REGULATION OF MYOSIN ACTIVITY IN C. ELEGANS REMARK 1 REF NATURE V. 342 45 1989 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WIT 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 : MINIMIZED AVERAGE 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 LYS A 4 79.08 -100.05 REMARK 500 THR A 7 120.30 -38.92 REMARK 500 SER A 9 121.55 59.50 REMARK 500 ARG A 10 -82.65 -167.58 REMARK 500 ALA A 29 167.93 176.09 REMARK 500 ASP A 31 84.72 34.85 REMARK 500 PRO A 32 -167.86 -78.62 REMARK 500 ALA A 46 -52.83 165.21 REMARK 500 LEU A 49 -164.08 176.61 REMARK 500 THR A 57 -168.07 -178.64 REMARK 500 THR A 58 154.33 178.31 REMARK 500 PHE A 62 46.16 -141.59 REMARK 500 SER A 70 92.79 -46.41 REMARK 500 ASN A 79 89.12 -176.48 REMARK 500 GLU A 80 -83.13 64.91 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 10 0.29 SIDE_CHAIN REMARK 500 ARG A 67 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1WIU RELATED DB: PDB DBREF 1WIT A 1 93 UNP Q23551 Q23551_CAEEL 5001 5093 SEQRES 1 A 93 LEU LYS PRO LYS ILE LEU THR ALA SER ARG LYS ILE LYS SEQRES 2 A 93 ILE LYS ALA GLY PHE THR HIS ASN LEU GLU VAL ASP PHE SEQRES 3 A 93 ILE GLY ALA PRO ASP PRO THR ALA THR TRP THR VAL GLY SEQRES 4 A 93 ASP SER GLY ALA ALA LEU ALA PRO GLU LEU LEU VAL ASP SEQRES 5 A 93 ALA LYS SER SER THR THR SER ILE PHE PHE PRO SER ALA SEQRES 6 A 93 LYS ARG ALA ASP SER GLY ASN TYR LYS LEU LYS VAL LYS SEQRES 7 A 93 ASN GLU LEU GLY GLU ASP GLU ALA ILE PHE GLU VAL ILE SEQRES 8 A 93 VAL GLN HELIX 1 1 ARG A 67 ASP A 69 5 3 SHEET 1 S1 4 LYS A 4 LEU A 6 0 SHEET 2 S1 4 HIS A 20 ILE A 27 -1 N ILE A 27 O LYS A 4 SHEET 3 S1 4 THR A 57 PHE A 62 -1 N ILE A 60 O LEU A 22 SHEET 4 S1 4 LEU A 50 LYS A 54 -1 N ASP A 52 O SER A 59 SHEET 1 S2 5 ARG A 10 ILE A 14 0 SHEET 2 S2 5 GLY A 82 GLN A 93 1 N ILE A 91 O ILE A 12 SHEET 3 S2 5 GLY A 71 ASN A 79 -1 N LEU A 75 O ALA A 86 SHEET 4 S2 5 THR A 33 THR A 37 -1 N THR A 35 O LYS A 76 SHEET 5 S2 5 ALA A 44 LEU A 45 -1 N LEU A 45 O TRP A 36 CISPEP 1 ALA A 29 PRO A 30 0 0.91 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+ 177:sc= 0.641 (180deg=0.635) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -139:sc= -1.19! USER MOD Single : A 9 SER OG : rot -33:sc= 2.12 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 25:sc= 0.584 USER MOD Single : A 20 HIS : no HE2:sc= -15.7! C(o=-16!,f=-19!) USER MOD Single : A 21 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.0036) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 75:sc= 0.763 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -159:sc= -6.82! USER MOD Single : A 58 THR OG1 : rot 179:sc= -4.79! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 69:sc= 0.933 USER MOD Single : A 72 ASN : amide:sc= -1.83 K(o=-1.8,f=-5.5!) USER MOD Single : A 73 TYR OH : rot 90:sc= -3.53! USER MOD Single : A 74 LYS NZ :NH3+ -134:sc= 0.35 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -11.4! C(o=-11!,f=-21!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.381 1.711 0.782 1.00 1.45 N ATOM 2 CA LEU A 1 20.534 1.847 2.000 1.00 0.80 C ATOM 3 C LEU A 1 19.289 0.970 1.858 1.00 0.60 C ATOM 4 O LEU A 1 18.352 1.313 1.162 1.00 0.75 O ATOM 5 CB LEU A 1 20.113 3.308 2.165 1.00 1.49 C ATOM 6 CG LEU A 1 19.775 3.580 3.631 1.00 1.92 C ATOM 7 CD1 LEU A 1 18.742 2.561 4.115 1.00 2.49 C ATOM 8 CD2 LEU A 1 21.044 3.459 4.477 1.00 2.34 C ATOM 0 H1 LEU A 1 22.201 2.346 0.857 1.00 1.45 H new ATOM 0 H2 LEU A 1 21.710 0.728 0.696 1.00 1.45 H new ATOM 0 H3 LEU A 1 20.823 1.964 -0.059 1.00 1.45 H new ATOM 0 HA LEU A 1 21.102 1.530 2.875 1.00 0.80 H new ATOM 0 HB2 LEU A 1 20.916 3.968 1.838 1.00 1.49 H new ATOM 0 HB3 LEU A 1 19.249 3.522 1.536 1.00 1.49 H new ATOM 0 HG LEU A 1 19.366 4.586 3.729 1.00 1.92 H new ATOM 0 HD11 LEU A 1 18.501 2.755 5.160 1.00 2.49 H new ATOM 0 HD12 LEU A 1 17.838 2.646 3.513 1.00 2.49 H new ATOM 0 HD13 LEU A 1 19.150 1.555 4.018 1.00 2.49 H new ATOM 0 HD21 LEU A 1 20.804 3.653 5.522 1.00 2.34 H new ATOM 0 HD22 LEU A 1 21.452 2.453 4.379 1.00 2.34 H new ATOM 0 HD23 LEU A 1 21.781 4.185 4.133 1.00 2.34 H new ATOM 22 N LYS A 2 19.270 -0.159 2.513 1.00 0.64 N ATOM 23 CA LYS A 2 18.085 -1.057 2.418 1.00 0.63 C ATOM 24 C LYS A 2 16.837 -0.310 2.899 1.00 0.60 C ATOM 25 O LYS A 2 16.932 0.597 3.702 1.00 1.01 O ATOM 26 CB LYS A 2 18.309 -2.290 3.297 1.00 1.09 C ATOM 27 CG LYS A 2 19.649 -2.936 2.941 1.00 1.58 C ATOM 28 CD LYS A 2 20.510 -3.054 4.201 1.00 1.86 C ATOM 29 CE LYS A 2 20.203 -4.376 4.907 1.00 2.38 C ATOM 30 NZ LYS A 2 21.102 -4.531 6.086 1.00 2.90 N ATOM 0 H LYS A 2 20.024 -0.498 3.110 1.00 0.64 H new ATOM 0 HA LYS A 2 17.947 -1.367 1.382 1.00 0.63 H new ATOM 0 HB2 LYS A 2 18.299 -2.006 4.349 1.00 1.09 H new ATOM 0 HB3 LYS A 2 17.499 -3.005 3.152 1.00 1.09 H new ATOM 0 HG2 LYS A 2 19.485 -3.922 2.506 1.00 1.58 H new ATOM 0 HG3 LYS A 2 20.165 -2.338 2.190 1.00 1.58 H new ATOM 0 HD2 LYS A 2 21.567 -3.007 3.938 1.00 1.86 H new ATOM 0 HD3 LYS A 2 20.310 -2.217 4.870 1.00 1.86 H new ATOM 0 HE2 LYS A 2 19.161 -4.397 5.226 1.00 2.38 H new ATOM 0 HE3 LYS A 2 20.342 -5.209 4.218 1.00 2.38 H new ATOM 0 HZ1 LYS A 2 20.893 -5.430 6.566 1.00 2.90 H new ATOM 0 HZ2 LYS A 2 22.093 -4.529 5.770 1.00 2.90 H new ATOM 0 HZ3 LYS A 2 20.948 -3.742 6.746 1.00 2.90 H new ATOM 44 N PRO A 3 15.701 -0.730 2.406 1.00 0.47 N ATOM 45 CA PRO A 3 14.416 -0.074 2.699 1.00 0.37 C ATOM 46 C PRO A 3 13.913 -0.469 4.089 1.00 0.39 C ATOM 47 O PRO A 3 13.638 -1.621 4.356 1.00 0.71 O ATOM 48 CB PRO A 3 13.483 -0.605 1.609 1.00 0.36 C ATOM 49 CG PRO A 3 14.102 -1.933 1.114 1.00 0.45 C ATOM 50 CD PRO A 3 15.591 -1.900 1.510 1.00 0.50 C ATOM 0 HA PRO A 3 14.484 1.014 2.702 1.00 0.37 H new ATOM 0 HB2 PRO A 3 12.479 -0.767 2.002 1.00 0.36 H new ATOM 0 HB3 PRO A 3 13.394 0.111 0.792 1.00 0.36 H new ATOM 0 HG2 PRO A 3 13.599 -2.787 1.567 1.00 0.45 H new ATOM 0 HG3 PRO A 3 13.990 -2.034 0.034 1.00 0.45 H new ATOM 0 HD2 PRO A 3 15.889 -2.818 2.016 1.00 0.50 H new ATOM 0 HD3 PRO A 3 16.234 -1.794 0.636 1.00 0.50 H new ATOM 58 N LYS A 4 13.783 0.482 4.973 1.00 0.37 N ATOM 59 CA LYS A 4 13.290 0.165 6.339 1.00 0.39 C ATOM 60 C LYS A 4 11.807 0.523 6.421 1.00 0.34 C ATOM 61 O LYS A 4 11.439 1.556 6.942 1.00 0.36 O ATOM 62 CB LYS A 4 14.073 0.980 7.371 1.00 0.49 C ATOM 63 CG LYS A 4 14.710 0.034 8.391 1.00 1.09 C ATOM 64 CD LYS A 4 15.763 0.792 9.203 1.00 1.50 C ATOM 65 CE LYS A 4 16.495 -0.184 10.127 1.00 2.21 C ATOM 66 NZ LYS A 4 17.388 0.577 11.046 1.00 2.92 N ATOM 0 H LYS A 4 13.998 1.465 4.806 1.00 0.37 H new ATOM 0 HA LYS A 4 13.428 -0.896 6.546 1.00 0.39 H new ATOM 0 HB2 LYS A 4 14.844 1.570 6.875 1.00 0.49 H new ATOM 0 HB3 LYS A 4 13.409 1.682 7.875 1.00 0.49 H new ATOM 0 HG2 LYS A 4 13.946 -0.370 9.055 1.00 1.09 H new ATOM 0 HG3 LYS A 4 15.169 -0.812 7.880 1.00 1.09 H new ATOM 0 HD2 LYS A 4 16.473 1.278 8.534 1.00 1.50 H new ATOM 0 HD3 LYS A 4 15.288 1.578 9.790 1.00 1.50 H new ATOM 0 HE2 LYS A 4 15.775 -0.767 10.702 1.00 2.21 H new ATOM 0 HE3 LYS A 4 17.079 -0.891 9.538 1.00 2.21 H new ATOM 0 HZ1 LYS A 4 17.886 -0.086 11.674 1.00 2.92 H new ATOM 0 HZ2 LYS A 4 18.083 1.114 10.489 1.00 2.92 H new ATOM 0 HZ3 LYS A 4 16.819 1.234 11.617 1.00 2.92 H new ATOM 80 N ILE A 5 10.961 -0.326 5.899 1.00 0.32 N ATOM 81 CA ILE A 5 9.495 -0.056 5.927 1.00 0.29 C ATOM 82 C ILE A 5 8.963 -0.284 7.345 1.00 0.30 C ATOM 83 O ILE A 5 9.009 -1.379 7.870 1.00 0.36 O ATOM 84 CB ILE A 5 8.800 -0.990 4.927 1.00 0.31 C ATOM 85 CG1 ILE A 5 7.420 -0.434 4.576 1.00 0.45 C ATOM 86 CG2 ILE A 5 8.650 -2.387 5.529 1.00 0.35 C ATOM 87 CD1 ILE A 5 7.264 -0.377 3.055 1.00 0.35 C ATOM 0 H ILE A 5 11.227 -1.203 5.451 1.00 0.32 H new ATOM 0 HA ILE A 5 9.293 0.978 5.646 1.00 0.29 H new ATOM 0 HB ILE A 5 9.407 -1.055 4.024 1.00 0.31 H new ATOM 0 HG12 ILE A 5 6.642 -1.063 5.009 1.00 0.45 H new ATOM 0 HG13 ILE A 5 7.298 0.562 5.002 1.00 0.45 H new ATOM 0 HG21 ILE A 5 8.156 -3.041 4.811 1.00 0.35 H new ATOM 0 HG22 ILE A 5 9.635 -2.788 5.767 1.00 0.35 H new ATOM 0 HG23 ILE A 5 8.052 -2.329 6.439 1.00 0.35 H new ATOM 0 HD11 ILE A 5 6.280 0.019 2.805 1.00 0.35 H new ATOM 0 HD12 ILE A 5 8.034 0.270 2.634 1.00 0.35 H new ATOM 0 HD13 ILE A 5 7.367 -1.380 2.641 1.00 0.35 H new ATOM 99 N LEU A 6 8.475 0.752 7.978 1.00 0.29 N ATOM 100 CA LEU A 6 7.960 0.602 9.369 1.00 0.33 C ATOM 101 C LEU A 6 6.433 0.712 9.387 1.00 0.37 C ATOM 102 O LEU A 6 5.810 0.483 10.405 1.00 0.70 O ATOM 103 CB LEU A 6 8.557 1.700 10.252 1.00 0.47 C ATOM 104 CG LEU A 6 9.689 1.113 11.097 1.00 1.17 C ATOM 105 CD1 LEU A 6 10.960 1.020 10.252 1.00 1.40 C ATOM 106 CD2 LEU A 6 9.946 2.018 12.304 1.00 1.99 C ATOM 0 H LEU A 6 8.412 1.694 7.591 1.00 0.29 H new ATOM 0 HA LEU A 6 8.248 -0.378 9.748 1.00 0.33 H new ATOM 0 HB2 LEU A 6 8.935 2.514 9.633 1.00 0.47 H new ATOM 0 HB3 LEU A 6 7.787 2.121 10.898 1.00 0.47 H new ATOM 0 HG LEU A 6 9.407 0.118 11.441 1.00 1.17 H new ATOM 0 HD11 LEU A 6 11.767 0.602 10.854 1.00 1.40 H new ATOM 0 HD12 LEU A 6 10.778 0.377 9.391 1.00 1.40 H new ATOM 0 HD13 LEU A 6 11.242 2.015 9.908 1.00 1.40 H new ATOM 0 HD21 LEU A 6 10.753 1.600 12.907 1.00 1.99 H new ATOM 0 HD22 LEU A 6 10.228 3.013 11.959 1.00 1.99 H new ATOM 0 HD23 LEU A 6 9.040 2.086 12.907 1.00 1.99 H new ATOM 118 N THR A 7 5.826 1.062 8.280 1.00 0.31 N ATOM 119 CA THR A 7 4.336 1.182 8.249 1.00 0.42 C ATOM 120 C THR A 7 3.712 0.057 9.081 1.00 0.59 C ATOM 121 O THR A 7 3.914 -1.111 8.815 1.00 1.19 O ATOM 122 CB THR A 7 3.848 1.073 6.805 1.00 0.40 C ATOM 123 OG1 THR A 7 2.461 0.761 6.797 1.00 0.59 O ATOM 124 CG2 THR A 7 4.625 -0.031 6.092 1.00 0.40 C ATOM 0 H THR A 7 6.296 1.269 7.399 1.00 0.31 H new ATOM 0 HA THR A 7 4.042 2.146 8.664 1.00 0.42 H new ATOM 0 HB THR A 7 4.008 2.021 6.291 1.00 0.40 H new ATOM 0 HG1 THR A 7 2.279 0.099 6.097 1.00 0.59 H new ATOM 0 HG21 THR A 7 4.279 -0.112 5.061 1.00 0.40 H new ATOM 0 HG22 THR A 7 5.688 0.209 6.101 1.00 0.40 H new ATOM 0 HG23 THR A 7 4.463 -0.979 6.604 1.00 0.40 H new ATOM 132 N ALA A 8 2.964 0.404 10.093 1.00 0.90 N ATOM 133 CA ALA A 8 2.332 -0.638 10.954 1.00 1.04 C ATOM 134 C ALA A 8 1.782 -1.765 10.088 1.00 0.73 C ATOM 135 O ALA A 8 2.005 -2.932 10.343 1.00 0.90 O ATOM 136 CB ALA A 8 1.194 -0.012 11.763 1.00 1.51 C ATOM 0 H ALA A 8 2.762 1.367 10.362 1.00 0.90 H new ATOM 0 HA ALA A 8 3.082 -1.043 11.633 1.00 1.04 H new ATOM 0 HB1 ALA A 8 0.733 -0.774 12.392 1.00 1.51 H new ATOM 0 HB2 ALA A 8 1.590 0.786 12.391 1.00 1.51 H new ATOM 0 HB3 ALA A 8 0.447 0.398 11.083 1.00 1.51 H new ATOM 142 N SER A 9 1.067 -1.418 9.068 1.00 0.69 N ATOM 143 CA SER A 9 0.490 -2.454 8.165 1.00 0.97 C ATOM 144 C SER A 9 -0.430 -3.380 8.967 1.00 0.60 C ATOM 145 O SER A 9 -0.017 -4.013 9.918 1.00 0.89 O ATOM 146 CB SER A 9 1.622 -3.271 7.543 1.00 1.60 C ATOM 147 OG SER A 9 1.800 -4.470 8.285 1.00 2.39 O ATOM 0 H SER A 9 0.851 -0.454 8.812 1.00 0.69 H new ATOM 0 HA SER A 9 -0.086 -1.969 7.376 1.00 0.97 H new ATOM 0 HB2 SER A 9 1.389 -3.504 6.504 1.00 1.60 H new ATOM 0 HB3 SER A 9 2.545 -2.691 7.540 1.00 1.60 H new ATOM 0 HG SER A 9 1.607 -4.301 9.231 1.00 2.39 H new ATOM 153 N ARG A 10 -1.675 -3.465 8.585 1.00 0.60 N ATOM 154 CA ARG A 10 -2.628 -4.348 9.317 1.00 0.60 C ATOM 155 C ARG A 10 -3.902 -4.498 8.494 1.00 0.54 C ATOM 156 O ARG A 10 -4.081 -5.454 7.767 1.00 0.75 O ATOM 157 CB ARG A 10 -2.962 -3.729 10.676 1.00 0.93 C ATOM 158 CG ARG A 10 -2.469 -4.654 11.791 1.00 1.57 C ATOM 159 CD ARG A 10 -2.605 -3.947 13.141 1.00 1.90 C ATOM 160 NE ARG A 10 -3.384 -4.807 14.075 1.00 2.54 N ATOM 161 CZ ARG A 10 -3.371 -4.557 15.356 1.00 3.14 C ATOM 162 NH1 ARG A 10 -3.946 -3.480 15.817 1.00 3.65 N ATOM 163 NH2 ARG A 10 -2.783 -5.385 16.176 1.00 3.73 N ATOM 0 H ARG A 10 -2.075 -2.959 7.795 1.00 0.60 H new ATOM 0 HA ARG A 10 -2.175 -5.327 9.473 1.00 0.60 H new ATOM 0 HB2 ARG A 10 -2.493 -2.749 10.767 1.00 0.93 H new ATOM 0 HB3 ARG A 10 -4.038 -3.576 10.764 1.00 0.93 H new ATOM 0 HG2 ARG A 10 -3.047 -5.578 11.793 1.00 1.57 H new ATOM 0 HG3 ARG A 10 -1.429 -4.929 11.616 1.00 1.57 H new ATOM 0 HD2 ARG A 10 -1.619 -3.741 13.557 1.00 1.90 H new ATOM 0 HD3 ARG A 10 -3.104 -2.987 13.012 1.00 1.90 H new ATOM 0 HE ARG A 10 -3.927 -5.591 13.714 1.00 2.54 H new ATOM 0 HH11 ARG A 10 -4.406 -2.833 15.176 1.00 3.65 H new ATOM 0 HH12 ARG A 10 -3.936 -3.285 16.818 1.00 3.65 H new ATOM 0 HH21 ARG A 10 -2.334 -6.227 15.816 1.00 3.73 H new ATOM 0 HH22 ARG A 10 -2.773 -5.190 17.177 1.00 3.73 H new ATOM 177 N LYS A 11 -4.779 -3.551 8.599 1.00 0.39 N ATOM 178 CA LYS A 11 -6.048 -3.607 7.819 1.00 0.35 C ATOM 179 C LYS A 11 -6.501 -2.184 7.499 1.00 0.38 C ATOM 180 O LYS A 11 -5.826 -1.223 7.809 1.00 0.51 O ATOM 181 CB LYS A 11 -7.135 -4.317 8.629 1.00 0.45 C ATOM 182 CG LYS A 11 -7.050 -3.884 10.094 1.00 1.13 C ATOM 183 CD LYS A 11 -8.325 -4.308 10.827 1.00 1.55 C ATOM 184 CE LYS A 11 -7.982 -5.356 11.887 1.00 2.01 C ATOM 185 NZ LYS A 11 -8.946 -6.489 11.796 1.00 2.46 N ATOM 0 H LYS A 11 -4.676 -2.730 9.196 1.00 0.39 H new ATOM 0 HA LYS A 11 -5.878 -4.160 6.896 1.00 0.35 H new ATOM 0 HB2 LYS A 11 -8.119 -4.077 8.225 1.00 0.45 H new ATOM 0 HB3 LYS A 11 -7.013 -5.397 8.551 1.00 0.45 H new ATOM 0 HG2 LYS A 11 -6.178 -4.336 10.568 1.00 1.13 H new ATOM 0 HG3 LYS A 11 -6.923 -2.803 10.158 1.00 1.13 H new ATOM 0 HD2 LYS A 11 -8.793 -3.442 11.295 1.00 1.55 H new ATOM 0 HD3 LYS A 11 -9.046 -4.715 10.118 1.00 1.55 H new ATOM 0 HE2 LYS A 11 -6.964 -5.718 11.740 1.00 2.01 H new ATOM 0 HE3 LYS A 11 -8.021 -4.910 12.881 1.00 2.01 H new ATOM 0 HZ1 LYS A 11 -8.713 -7.202 12.517 1.00 2.46 H new ATOM 0 HZ2 LYS A 11 -9.911 -6.137 11.956 1.00 2.46 H new ATOM 0 HZ3 LYS A 11 -8.887 -6.920 10.851 1.00 2.46 H new ATOM 199 N ILE A 12 -7.639 -2.041 6.881 1.00 0.35 N ATOM 200 CA ILE A 12 -8.135 -0.682 6.538 1.00 0.46 C ATOM 201 C ILE A 12 -9.661 -0.714 6.443 1.00 0.47 C ATOM 202 O ILE A 12 -10.222 -1.140 5.453 1.00 0.75 O ATOM 203 CB ILE A 12 -7.543 -0.254 5.196 1.00 0.51 C ATOM 204 CG1 ILE A 12 -6.046 0.009 5.360 1.00 0.51 C ATOM 205 CG2 ILE A 12 -8.226 1.025 4.721 1.00 0.71 C ATOM 206 CD1 ILE A 12 -5.841 1.188 6.312 1.00 0.53 C ATOM 0 H ILE A 12 -8.248 -2.809 6.598 1.00 0.35 H new ATOM 0 HA ILE A 12 -7.835 0.029 7.308 1.00 0.46 H new ATOM 0 HB ILE A 12 -7.699 -1.047 4.464 1.00 0.51 H new ATOM 0 HG12 ILE A 12 -5.550 -0.879 5.751 1.00 0.51 H new ATOM 0 HG13 ILE A 12 -5.595 0.226 4.392 1.00 0.51 H new ATOM 0 HG21 ILE A 12 -7.803 1.329 3.764 1.00 0.71 H new ATOM 0 HG22 ILE A 12 -9.295 0.845 4.605 1.00 0.71 H new ATOM 0 HG23 ILE A 12 -8.069 1.815 5.455 1.00 0.71 H new ATOM 0 HD11 ILE A 12 -4.774 1.378 6.431 1.00 0.53 H new ATOM 0 HD12 ILE A 12 -6.324 2.075 5.902 1.00 0.53 H new ATOM 0 HD13 ILE A 12 -6.278 0.952 7.282 1.00 0.53 H new ATOM 218 N LYS A 13 -10.337 -0.277 7.468 1.00 0.37 N ATOM 219 CA LYS A 13 -11.827 -0.294 7.441 1.00 0.38 C ATOM 220 C LYS A 13 -12.352 0.901 6.643 1.00 0.34 C ATOM 221 O LYS A 13 -12.590 1.963 7.184 1.00 0.46 O ATOM 222 CB LYS A 13 -12.361 -0.223 8.873 1.00 0.49 C ATOM 223 CG LYS A 13 -12.986 -1.567 9.253 1.00 1.40 C ATOM 224 CD LYS A 13 -14.026 -1.354 10.354 1.00 1.86 C ATOM 225 CE LYS A 13 -13.610 -2.128 11.606 1.00 2.52 C ATOM 226 NZ LYS A 13 -14.197 -1.475 12.811 1.00 3.18 N ATOM 0 H LYS A 13 -9.923 0.092 8.324 1.00 0.37 H new ATOM 0 HA LYS A 13 -12.165 -1.215 6.966 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -11.553 0.022 9.562 1.00 0.49 H new ATOM 0 HB3 LYS A 13 -13.103 0.571 8.957 1.00 0.49 H new ATOM 0 HG2 LYS A 13 -13.453 -2.022 8.380 1.00 1.40 H new ATOM 0 HG3 LYS A 13 -12.213 -2.255 9.596 1.00 1.40 H new ATOM 0 HD2 LYS A 13 -14.116 -0.292 10.583 1.00 1.86 H new ATOM 0 HD3 LYS A 13 -15.005 -1.691 10.014 1.00 1.86 H new ATOM 0 HE2 LYS A 13 -13.950 -3.161 11.537 1.00 2.52 H new ATOM 0 HE3 LYS A 13 -12.523 -2.154 11.686 1.00 2.52 H new ATOM 0 HZ1 LYS A 13 -13.915 -2.001 13.663 1.00 3.18 H new ATOM 0 HZ2 LYS A 13 -13.852 -0.496 12.878 1.00 3.18 H new ATOM 0 HZ3 LYS A 13 -15.234 -1.472 12.734 1.00 3.18 H new ATOM 240 N ILE A 14 -12.552 0.733 5.364 1.00 0.27 N ATOM 241 CA ILE A 14 -13.080 1.855 4.539 1.00 0.26 C ATOM 242 C ILE A 14 -14.575 1.617 4.292 1.00 0.28 C ATOM 243 O ILE A 14 -15.070 0.521 4.457 1.00 0.50 O ATOM 244 CB ILE A 14 -12.337 1.907 3.197 1.00 0.24 C ATOM 245 CG1 ILE A 14 -10.862 1.553 3.404 1.00 0.28 C ATOM 246 CG2 ILE A 14 -12.439 3.312 2.598 1.00 0.30 C ATOM 247 CD1 ILE A 14 -10.089 1.829 2.110 1.00 0.31 C ATOM 0 H ILE A 14 -12.372 -0.133 4.856 1.00 0.27 H new ATOM 0 HA ILE A 14 -12.933 2.801 5.060 1.00 0.26 H new ATOM 0 HB ILE A 14 -12.792 1.188 2.516 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -10.446 2.141 4.222 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -10.764 0.504 3.683 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -11.909 3.341 1.646 1.00 0.30 H new ATOM 0 HG22 ILE A 14 -13.487 3.564 2.438 1.00 0.30 H new ATOM 0 HG23 ILE A 14 -11.993 4.033 3.283 1.00 0.30 H new ATOM 0 HD11 ILE A 14 -9.038 1.578 2.253 1.00 0.31 H new ATOM 0 HD12 ILE A 14 -10.500 1.222 1.304 1.00 0.31 H new ATOM 0 HD13 ILE A 14 -10.178 2.884 1.851 1.00 0.31 H new ATOM 259 N LYS A 15 -15.301 2.625 3.897 1.00 0.43 N ATOM 260 CA LYS A 15 -16.756 2.429 3.639 1.00 0.47 C ATOM 261 C LYS A 15 -16.980 2.359 2.127 1.00 0.40 C ATOM 262 O LYS A 15 -16.059 2.517 1.351 1.00 0.45 O ATOM 263 CB LYS A 15 -17.549 3.599 4.227 1.00 0.58 C ATOM 264 CG LYS A 15 -17.548 3.504 5.754 1.00 1.21 C ATOM 265 CD LYS A 15 -18.970 3.243 6.253 1.00 1.55 C ATOM 266 CE LYS A 15 -19.632 4.571 6.625 1.00 1.95 C ATOM 267 NZ LYS A 15 -20.128 4.503 8.029 1.00 2.50 N ATOM 0 H LYS A 15 -14.953 3.571 3.742 1.00 0.43 H new ATOM 0 HA LYS A 15 -17.095 1.505 4.108 1.00 0.47 H new ATOM 0 HB2 LYS A 15 -17.109 4.545 3.911 1.00 0.58 H new ATOM 0 HB3 LYS A 15 -18.572 3.583 3.852 1.00 0.58 H new ATOM 0 HG2 LYS A 15 -16.885 2.702 6.078 1.00 1.21 H new ATOM 0 HG3 LYS A 15 -17.164 4.428 6.186 1.00 1.21 H new ATOM 0 HD2 LYS A 15 -19.551 2.739 5.481 1.00 1.55 H new ATOM 0 HD3 LYS A 15 -18.947 2.581 7.118 1.00 1.55 H new ATOM 0 HE2 LYS A 15 -18.918 5.388 6.519 1.00 1.95 H new ATOM 0 HE3 LYS A 15 -20.458 4.780 5.946 1.00 1.95 H new ATOM 0 HZ1 LYS A 15 -20.578 5.406 8.282 1.00 2.50 H new ATOM 0 HZ2 LYS A 15 -20.822 3.734 8.115 1.00 2.50 H new ATOM 0 HZ3 LYS A 15 -19.330 4.322 8.671 1.00 2.50 H new ATOM 281 N ALA A 16 -18.188 2.122 1.696 1.00 0.42 N ATOM 282 CA ALA A 16 -18.439 2.046 0.230 1.00 0.40 C ATOM 283 C ALA A 16 -18.633 3.458 -0.325 1.00 0.38 C ATOM 284 O ALA A 16 -19.153 4.325 0.343 1.00 0.48 O ATOM 285 CB ALA A 16 -19.692 1.216 -0.039 1.00 0.50 C ATOM 0 H ALA A 16 -19.005 1.979 2.289 1.00 0.42 H new ATOM 0 HA ALA A 16 -17.586 1.574 -0.258 1.00 0.40 H new ATOM 0 HB1 ALA A 16 -19.870 1.164 -1.113 1.00 0.50 H new ATOM 0 HB2 ALA A 16 -19.553 0.209 0.355 1.00 0.50 H new ATOM 0 HB3 ALA A 16 -20.548 1.681 0.449 1.00 0.50 H new ATOM 291 N GLY A 17 -18.221 3.693 -1.541 1.00 0.38 N ATOM 292 CA GLY A 17 -18.377 5.052 -2.138 1.00 0.42 C ATOM 293 C GLY A 17 -17.725 6.090 -1.220 1.00 0.37 C ATOM 294 O GLY A 17 -18.187 7.208 -1.107 1.00 0.53 O ATOM 0 H GLY A 17 -17.782 3.001 -2.149 1.00 0.38 H new ATOM 0 HA2 GLY A 17 -17.915 5.083 -3.125 1.00 0.42 H new ATOM 0 HA3 GLY A 17 -19.434 5.283 -2.273 1.00 0.42 H new ATOM 298 N PHE A 18 -16.662 5.727 -0.550 1.00 0.33 N ATOM 299 CA PHE A 18 -15.995 6.697 0.376 1.00 0.37 C ATOM 300 C PHE A 18 -14.591 7.044 -0.116 1.00 0.30 C ATOM 301 O PHE A 18 -14.152 6.611 -1.165 1.00 0.33 O ATOM 302 CB PHE A 18 -15.869 6.079 1.768 1.00 0.45 C ATOM 303 CG PHE A 18 -17.077 6.436 2.590 1.00 0.71 C ATOM 304 CD1 PHE A 18 -18.342 6.394 2.008 1.00 1.74 C ATOM 305 CD2 PHE A 18 -16.932 6.796 3.934 1.00 1.35 C ATOM 306 CE1 PHE A 18 -19.473 6.710 2.768 1.00 2.26 C ATOM 307 CE2 PHE A 18 -18.061 7.113 4.696 1.00 1.81 C ATOM 308 CZ PHE A 18 -19.333 7.070 4.114 1.00 2.01 C ATOM 0 H PHE A 18 -16.227 4.806 -0.602 1.00 0.33 H new ATOM 0 HA PHE A 18 -16.604 7.600 0.408 1.00 0.37 H new ATOM 0 HB2 PHE A 18 -15.778 4.996 1.689 1.00 0.45 H new ATOM 0 HB3 PHE A 18 -14.964 6.440 2.257 1.00 0.45 H new ATOM 0 HD1 PHE A 18 -18.449 6.117 0.970 1.00 1.74 H new ATOM 0 HD2 PHE A 18 -15.950 6.829 4.382 1.00 1.35 H new ATOM 0 HE1 PHE A 18 -20.454 6.676 2.317 1.00 2.26 H new ATOM 0 HE2 PHE A 18 -17.951 7.391 5.734 1.00 1.81 H new ATOM 0 HZ PHE A 18 -20.205 7.314 4.702 1.00 2.01 H new ATOM 318 N THR A 19 -13.881 7.819 0.662 1.00 0.31 N ATOM 319 CA THR A 19 -12.495 8.207 0.289 1.00 0.28 C ATOM 320 C THR A 19 -11.549 7.821 1.428 1.00 0.29 C ATOM 321 O THR A 19 -11.771 8.159 2.574 1.00 0.53 O ATOM 322 CB THR A 19 -12.430 9.718 0.058 1.00 0.31 C ATOM 323 OG1 THR A 19 -12.757 10.395 1.264 1.00 0.35 O ATOM 324 CG2 THR A 19 -13.423 10.110 -1.036 1.00 0.36 C ATOM 0 H THR A 19 -14.209 8.202 1.549 1.00 0.31 H new ATOM 0 HA THR A 19 -12.201 7.693 -0.626 1.00 0.28 H new ATOM 0 HB THR A 19 -11.423 9.996 -0.252 1.00 0.31 H new ATOM 0 HG1 THR A 19 -12.563 9.813 2.029 1.00 0.35 H new ATOM 0 HG21 THR A 19 -13.377 11.187 -1.201 1.00 0.36 H new ATOM 0 HG22 THR A 19 -13.170 9.590 -1.960 1.00 0.36 H new ATOM 0 HG23 THR A 19 -14.431 9.833 -0.728 1.00 0.36 H new ATOM 332 N HIS A 20 -10.504 7.104 1.125 1.00 0.23 N ATOM 333 CA HIS A 20 -9.550 6.681 2.193 1.00 0.22 C ATOM 334 C HIS A 20 -8.174 7.296 1.931 1.00 0.22 C ATOM 335 O HIS A 20 -7.869 7.718 0.832 1.00 0.26 O ATOM 336 CB HIS A 20 -9.427 5.161 2.158 1.00 0.23 C ATOM 337 CG HIS A 20 -9.336 4.597 3.543 1.00 0.26 C ATOM 338 ND1 HIS A 20 -10.398 4.626 4.430 1.00 0.27 N ATOM 339 CD2 HIS A 20 -8.328 3.927 4.179 1.00 0.32 C ATOM 340 CE1 HIS A 20 -10.008 3.982 5.544 1.00 0.32 C ATOM 341 NE2 HIS A 20 -8.751 3.539 5.446 1.00 0.36 N ATOM 0 H HIS A 20 -10.267 6.791 0.184 1.00 0.23 H new ATOM 0 HA HIS A 20 -9.915 7.014 3.165 1.00 0.22 H new ATOM 0 HB2 HIS A 20 -10.288 4.735 1.644 1.00 0.23 H new ATOM 0 HB3 HIS A 20 -8.543 4.877 1.587 1.00 0.23 H new ATOM 0 HD1 HIS A 20 -11.308 5.056 4.268 1.00 0.27 H new ATOM 0 HD2 HIS A 20 -7.352 3.729 3.761 1.00 0.32 H new ATOM 0 HE1 HIS A 20 -10.634 3.840 6.412 1.00 0.32 H new ATOM 349 N ASN A 21 -7.334 7.333 2.930 1.00 0.29 N ATOM 350 CA ASN A 21 -5.971 7.902 2.740 1.00 0.31 C ATOM 351 C ASN A 21 -4.939 6.920 3.296 1.00 0.28 C ATOM 352 O ASN A 21 -4.497 7.031 4.423 1.00 0.36 O ATOM 353 CB ASN A 21 -5.859 9.241 3.472 1.00 0.36 C ATOM 354 CG ASN A 21 -6.740 9.217 4.723 1.00 1.14 C ATOM 355 OD1 ASN A 21 -6.660 8.302 5.518 1.00 1.77 O ATOM 356 ND2 ASN A 21 -7.584 10.190 4.931 1.00 1.98 N ATOM 0 H ASN A 21 -7.534 6.993 3.871 1.00 0.29 H new ATOM 0 HA ASN A 21 -5.788 8.065 1.678 1.00 0.31 H new ATOM 0 HB2 ASN A 21 -4.822 9.430 3.749 1.00 0.36 H new ATOM 0 HB3 ASN A 21 -6.166 10.054 2.814 1.00 0.36 H new ATOM 0 HD21 ASN A 21 -8.177 10.182 5.761 1.00 1.98 H new ATOM 0 HD22 ASN A 21 -7.651 10.958 4.263 1.00 1.98 H new ATOM 363 N LEU A 22 -4.565 5.952 2.510 1.00 0.25 N ATOM 364 CA LEU A 22 -3.576 4.937 2.966 1.00 0.24 C ATOM 365 C LEU A 22 -2.187 5.566 3.093 1.00 0.21 C ATOM 366 O LEU A 22 -1.727 6.263 2.209 1.00 0.21 O ATOM 367 CB LEU A 22 -3.535 3.819 1.930 1.00 0.26 C ATOM 368 CG LEU A 22 -2.556 2.733 2.364 1.00 0.27 C ATOM 369 CD1 LEU A 22 -3.035 1.396 1.809 1.00 0.33 C ATOM 370 CD2 LEU A 22 -1.161 3.038 1.810 1.00 0.25 C ATOM 0 H LEU A 22 -4.907 5.819 1.558 1.00 0.25 H new ATOM 0 HA LEU A 22 -3.868 4.548 3.942 1.00 0.24 H new ATOM 0 HB2 LEU A 22 -4.530 3.393 1.805 1.00 0.26 H new ATOM 0 HB3 LEU A 22 -3.237 4.221 0.962 1.00 0.26 H new ATOM 0 HG LEU A 22 -2.507 2.696 3.452 1.00 0.27 H new ATOM 0 HD11 LEU A 22 -2.345 0.608 2.111 1.00 0.33 H new ATOM 0 HD12 LEU A 22 -4.029 1.176 2.198 1.00 0.33 H new ATOM 0 HD13 LEU A 22 -3.074 1.447 0.721 1.00 0.33 H new ATOM 0 HD21 LEU A 22 -0.467 2.259 2.124 1.00 0.25 H new ATOM 0 HD22 LEU A 22 -1.201 3.072 0.721 1.00 0.25 H new ATOM 0 HD23 LEU A 22 -0.821 4.001 2.190 1.00 0.25 H new ATOM 382 N GLU A 23 -1.509 5.310 4.182 1.00 0.22 N ATOM 383 CA GLU A 23 -0.143 5.881 4.367 1.00 0.22 C ATOM 384 C GLU A 23 0.850 4.757 4.690 1.00 0.20 C ATOM 385 O GLU A 23 0.490 3.728 5.227 1.00 0.23 O ATOM 386 CB GLU A 23 -0.166 6.888 5.519 1.00 0.27 C ATOM 387 CG GLU A 23 1.102 7.743 5.475 1.00 1.51 C ATOM 388 CD GLU A 23 1.238 8.526 6.783 1.00 2.04 C ATOM 389 OE1 GLU A 23 0.294 8.516 7.557 1.00 2.57 O ATOM 390 OE2 GLU A 23 2.282 9.122 6.988 1.00 2.58 O ATOM 0 H GLU A 23 -1.843 4.730 4.951 1.00 0.22 H new ATOM 0 HA GLU A 23 0.167 6.381 3.449 1.00 0.22 H new ATOM 0 HB2 GLU A 23 -1.048 7.523 5.443 1.00 0.27 H new ATOM 0 HB3 GLU A 23 -0.231 6.364 6.473 1.00 0.27 H new ATOM 0 HG2 GLU A 23 1.976 7.108 5.327 1.00 1.51 H new ATOM 0 HG3 GLU A 23 1.060 8.431 4.630 1.00 1.51 H new ATOM 397 N VAL A 24 2.100 4.953 4.363 1.00 0.19 N ATOM 398 CA VAL A 24 3.135 3.912 4.640 1.00 0.20 C ATOM 399 C VAL A 24 4.515 4.578 4.627 1.00 0.21 C ATOM 400 O VAL A 24 4.675 5.668 4.116 1.00 0.30 O ATOM 401 CB VAL A 24 3.071 2.828 3.555 1.00 0.22 C ATOM 402 CG1 VAL A 24 4.377 2.028 3.532 1.00 0.27 C ATOM 403 CG2 VAL A 24 1.909 1.880 3.854 1.00 0.25 C ATOM 0 H VAL A 24 2.452 5.797 3.912 1.00 0.19 H new ATOM 0 HA VAL A 24 2.956 3.453 5.612 1.00 0.20 H new ATOM 0 HB VAL A 24 2.924 3.304 2.586 1.00 0.22 H new ATOM 0 HG11 VAL A 24 4.321 1.262 2.759 1.00 0.27 H new ATOM 0 HG12 VAL A 24 5.210 2.698 3.319 1.00 0.27 H new ATOM 0 HG13 VAL A 24 4.531 1.554 4.502 1.00 0.27 H new ATOM 0 HG21 VAL A 24 1.861 1.109 3.085 1.00 0.25 H new ATOM 0 HG22 VAL A 24 2.062 1.413 4.827 1.00 0.25 H new ATOM 0 HG23 VAL A 24 0.975 2.441 3.864 1.00 0.25 H new ATOM 413 N ASP A 25 5.516 3.944 5.185 1.00 0.33 N ATOM 414 CA ASP A 25 6.866 4.576 5.190 1.00 0.36 C ATOM 415 C ASP A 25 7.966 3.515 5.178 1.00 0.28 C ATOM 416 O ASP A 25 7.835 2.459 5.763 1.00 0.33 O ATOM 417 CB ASP A 25 7.016 5.448 6.439 1.00 0.46 C ATOM 418 CG ASP A 25 7.725 6.752 6.072 1.00 1.37 C ATOM 419 OD1 ASP A 25 8.893 6.691 5.725 1.00 2.09 O ATOM 420 OD2 ASP A 25 7.089 7.791 6.145 1.00 2.16 O ATOM 0 H ASP A 25 5.457 3.029 5.631 1.00 0.33 H new ATOM 0 HA ASP A 25 6.964 5.187 4.293 1.00 0.36 H new ATOM 0 HB2 ASP A 25 6.036 5.663 6.865 1.00 0.46 H new ATOM 0 HB3 ASP A 25 7.585 4.915 7.201 1.00 0.46 H new ATOM 425 N PHE A 26 9.061 3.804 4.521 1.00 0.26 N ATOM 426 CA PHE A 26 10.185 2.828 4.479 1.00 0.27 C ATOM 427 C PHE A 26 11.467 3.538 4.045 1.00 0.37 C ATOM 428 O PHE A 26 11.512 4.200 3.028 1.00 0.57 O ATOM 429 CB PHE A 26 9.860 1.686 3.510 1.00 0.37 C ATOM 430 CG PHE A 26 9.744 2.210 2.100 1.00 0.29 C ATOM 431 CD1 PHE A 26 10.885 2.314 1.296 1.00 1.17 C ATOM 432 CD2 PHE A 26 8.492 2.581 1.592 1.00 1.26 C ATOM 433 CE1 PHE A 26 10.776 2.791 -0.015 1.00 1.17 C ATOM 434 CE2 PHE A 26 8.383 3.056 0.281 1.00 1.25 C ATOM 435 CZ PHE A 26 9.525 3.161 -0.523 1.00 0.25 C ATOM 0 H PHE A 26 9.222 4.674 4.013 1.00 0.26 H new ATOM 0 HA PHE A 26 10.329 2.408 5.474 1.00 0.27 H new ATOM 0 HB2 PHE A 26 10.640 0.926 3.559 1.00 0.37 H new ATOM 0 HB3 PHE A 26 8.927 1.205 3.804 1.00 0.37 H new ATOM 0 HD1 PHE A 26 11.850 2.026 1.687 1.00 1.17 H new ATOM 0 HD2 PHE A 26 7.612 2.500 2.212 1.00 1.26 H new ATOM 0 HE1 PHE A 26 11.657 2.874 -0.635 1.00 1.17 H new ATOM 0 HE2 PHE A 26 7.418 3.342 -0.111 1.00 1.25 H new ATOM 0 HZ PHE A 26 9.441 3.528 -1.535 1.00 0.25 H new ATOM 445 N ILE A 27 12.509 3.414 4.824 1.00 0.40 N ATOM 446 CA ILE A 27 13.792 4.094 4.473 1.00 0.51 C ATOM 447 C ILE A 27 14.555 3.273 3.431 1.00 0.53 C ATOM 448 O ILE A 27 15.425 2.489 3.756 1.00 1.13 O ATOM 449 CB ILE A 27 14.643 4.250 5.736 1.00 0.68 C ATOM 450 CG1 ILE A 27 14.088 5.405 6.567 1.00 0.66 C ATOM 451 CG2 ILE A 27 16.095 4.554 5.355 1.00 1.06 C ATOM 452 CD1 ILE A 27 12.612 5.149 6.875 1.00 0.63 C ATOM 0 H ILE A 27 12.528 2.872 5.688 1.00 0.40 H new ATOM 0 HA ILE A 27 13.576 5.077 4.054 1.00 0.51 H new ATOM 0 HB ILE A 27 14.612 3.324 6.311 1.00 0.68 H new ATOM 0 HG12 ILE A 27 14.652 5.504 7.494 1.00 0.66 H new ATOM 0 HG13 ILE A 27 14.200 6.344 6.025 1.00 0.66 H new ATOM 0 HG21 ILE A 27 16.693 4.663 6.260 1.00 1.06 H new ATOM 0 HG22 ILE A 27 16.492 3.736 4.754 1.00 1.06 H new ATOM 0 HG23 ILE A 27 16.134 5.479 4.780 1.00 1.06 H new ATOM 0 HD11 ILE A 27 12.216 5.973 7.468 1.00 0.63 H new ATOM 0 HD12 ILE A 27 12.054 5.072 5.942 1.00 0.63 H new ATOM 0 HD13 ILE A 27 12.513 4.219 7.435 1.00 0.63 H new ATOM 464 N GLY A 28 14.245 3.459 2.180 1.00 0.44 N ATOM 465 CA GLY A 28 14.956 2.697 1.114 1.00 0.48 C ATOM 466 C GLY A 28 15.682 3.665 0.180 1.00 0.49 C ATOM 467 O GLY A 28 15.233 4.768 -0.058 1.00 0.58 O ATOM 0 H GLY A 28 13.530 4.106 1.848 1.00 0.44 H new ATOM 0 HA2 GLY A 28 15.670 2.006 1.563 1.00 0.48 H new ATOM 0 HA3 GLY A 28 14.244 2.096 0.548 1.00 0.48 H new ATOM 471 N ALA A 29 16.802 3.260 -0.354 1.00 0.51 N ATOM 472 CA ALA A 29 17.552 4.158 -1.276 1.00 0.57 C ATOM 473 C ALA A 29 18.871 3.492 -1.687 1.00 0.58 C ATOM 474 O ALA A 29 19.263 2.493 -1.118 1.00 0.59 O ATOM 475 CB ALA A 29 17.837 5.487 -0.575 1.00 0.70 C ATOM 0 H ALA A 29 17.229 2.348 -0.192 1.00 0.51 H new ATOM 0 HA ALA A 29 16.954 4.343 -2.168 1.00 0.57 H new ATOM 0 HB1 ALA A 29 18.386 6.144 -1.250 1.00 0.70 H new ATOM 0 HB2 ALA A 29 16.896 5.960 -0.294 1.00 0.70 H new ATOM 0 HB3 ALA A 29 18.433 5.306 0.320 1.00 0.70 H new ATOM 481 N PRO A 30 19.504 4.064 -2.681 1.00 0.66 N ATOM 482 CA PRO A 30 19.010 5.276 -3.357 1.00 0.76 C ATOM 483 C PRO A 30 17.825 4.936 -4.258 1.00 0.81 C ATOM 484 O PRO A 30 17.777 3.891 -4.875 1.00 1.71 O ATOM 485 CB PRO A 30 20.204 5.749 -4.182 1.00 0.85 C ATOM 486 CG PRO A 30 21.096 4.510 -4.385 1.00 0.82 C ATOM 487 CD PRO A 30 20.767 3.540 -3.234 1.00 0.73 C ATOM 0 HA PRO A 30 18.656 6.037 -2.662 1.00 0.76 H new ATOM 0 HB2 PRO A 30 19.880 6.158 -5.139 1.00 0.85 H new ATOM 0 HB3 PRO A 30 20.747 6.540 -3.665 1.00 0.85 H new ATOM 0 HG2 PRO A 30 20.900 4.045 -5.351 1.00 0.82 H new ATOM 0 HG3 PRO A 30 22.151 4.785 -4.371 1.00 0.82 H new ATOM 0 HD2 PRO A 30 20.652 2.517 -3.593 1.00 0.73 H new ATOM 0 HD3 PRO A 30 21.557 3.527 -2.483 1.00 0.73 H new ATOM 495 N ASP A 31 16.881 5.826 -4.329 1.00 0.77 N ATOM 496 CA ASP A 31 15.673 5.607 -5.179 1.00 0.68 C ATOM 497 C ASP A 31 15.281 4.124 -5.181 1.00 0.54 C ATOM 498 O ASP A 31 15.658 3.389 -6.072 1.00 0.59 O ATOM 499 CB ASP A 31 15.971 6.056 -6.610 1.00 0.76 C ATOM 500 CG ASP A 31 14.739 6.751 -7.194 1.00 1.37 C ATOM 501 OD1 ASP A 31 14.386 7.806 -6.695 1.00 2.16 O ATOM 502 OD2 ASP A 31 14.170 6.215 -8.131 1.00 1.91 O ATOM 0 H ASP A 31 16.892 6.714 -3.826 1.00 0.77 H new ATOM 0 HA ASP A 31 14.846 6.189 -4.772 1.00 0.68 H new ATOM 0 HB2 ASP A 31 16.823 6.735 -6.619 1.00 0.76 H new ATOM 0 HB3 ASP A 31 16.242 5.196 -7.223 1.00 0.76 H new ATOM 507 N PRO A 32 14.530 3.731 -4.184 1.00 0.44 N ATOM 508 CA PRO A 32 14.062 2.341 -4.042 1.00 0.40 C ATOM 509 C PRO A 32 12.877 2.084 -4.975 1.00 0.41 C ATOM 510 O PRO A 32 12.575 2.876 -5.846 1.00 0.59 O ATOM 511 CB PRO A 32 13.622 2.258 -2.579 1.00 0.41 C ATOM 512 CG PRO A 32 13.321 3.708 -2.135 1.00 0.45 C ATOM 513 CD PRO A 32 14.079 4.634 -3.105 1.00 0.49 C ATOM 0 HA PRO A 32 14.823 1.604 -4.298 1.00 0.40 H new ATOM 0 HB2 PRO A 32 12.739 1.628 -2.473 1.00 0.41 H new ATOM 0 HB3 PRO A 32 14.405 1.817 -1.962 1.00 0.41 H new ATOM 0 HG2 PRO A 32 12.250 3.908 -2.166 1.00 0.45 H new ATOM 0 HG3 PRO A 32 13.646 3.874 -1.108 1.00 0.45 H new ATOM 0 HD2 PRO A 32 13.433 5.424 -3.489 1.00 0.49 H new ATOM 0 HD3 PRO A 32 14.922 5.122 -2.615 1.00 0.49 H new ATOM 521 N THR A 33 12.201 0.986 -4.793 1.00 0.35 N ATOM 522 CA THR A 33 11.032 0.677 -5.660 1.00 0.39 C ATOM 523 C THR A 33 9.901 0.111 -4.799 1.00 0.34 C ATOM 524 O THR A 33 10.020 -0.953 -4.223 1.00 0.57 O ATOM 525 CB THR A 33 11.434 -0.354 -6.717 1.00 0.49 C ATOM 526 OG1 THR A 33 12.303 0.254 -7.663 1.00 0.67 O ATOM 527 CG2 THR A 33 10.183 -0.870 -7.428 1.00 0.58 C ATOM 0 H THR A 33 12.408 0.287 -4.079 1.00 0.35 H new ATOM 0 HA THR A 33 10.695 1.588 -6.155 1.00 0.39 H new ATOM 0 HB THR A 33 11.946 -1.188 -6.237 1.00 0.49 H new ATOM 0 HG1 THR A 33 12.563 -0.406 -8.340 1.00 0.67 H new ATOM 0 HG21 THR A 33 10.469 -1.604 -8.181 1.00 0.58 H new ATOM 0 HG22 THR A 33 9.518 -1.336 -6.701 1.00 0.58 H new ATOM 0 HG23 THR A 33 9.669 -0.038 -7.910 1.00 0.58 H new ATOM 535 N ALA A 34 8.805 0.813 -4.706 1.00 0.41 N ATOM 536 CA ALA A 34 7.668 0.313 -3.884 1.00 0.35 C ATOM 537 C ALA A 34 6.493 -0.025 -4.801 1.00 0.35 C ATOM 538 O ALA A 34 6.056 0.786 -5.593 1.00 0.47 O ATOM 539 CB ALA A 34 7.244 1.390 -2.882 1.00 0.36 C ATOM 0 H ALA A 34 8.648 1.711 -5.164 1.00 0.41 H new ATOM 0 HA ALA A 34 7.976 -0.580 -3.341 1.00 0.35 H new ATOM 0 HB1 ALA A 34 6.412 1.021 -2.282 1.00 0.36 H new ATOM 0 HB2 ALA A 34 8.083 1.631 -2.230 1.00 0.36 H new ATOM 0 HB3 ALA A 34 6.934 2.286 -3.420 1.00 0.36 H new ATOM 545 N THR A 35 5.979 -1.220 -4.702 1.00 0.38 N ATOM 546 CA THR A 35 4.836 -1.613 -5.570 1.00 0.38 C ATOM 547 C THR A 35 3.585 -1.808 -4.712 1.00 0.34 C ATOM 548 O THR A 35 3.591 -2.546 -3.743 1.00 0.41 O ATOM 549 CB THR A 35 5.169 -2.921 -6.292 1.00 0.48 C ATOM 550 OG1 THR A 35 6.330 -2.737 -7.090 1.00 0.94 O ATOM 551 CG2 THR A 35 3.995 -3.327 -7.183 1.00 0.85 C ATOM 0 H THR A 35 6.302 -1.941 -4.057 1.00 0.38 H new ATOM 0 HA THR A 35 4.653 -0.829 -6.305 1.00 0.38 H new ATOM 0 HB THR A 35 5.353 -3.705 -5.558 1.00 0.48 H new ATOM 0 HG1 THR A 35 6.546 -3.574 -7.552 1.00 0.94 H new ATOM 0 HG21 THR A 35 4.233 -4.258 -7.697 1.00 0.85 H new ATOM 0 HG22 THR A 35 3.105 -3.468 -6.570 1.00 0.85 H new ATOM 0 HG23 THR A 35 3.809 -2.544 -7.919 1.00 0.85 H new ATOM 559 N TRP A 36 2.511 -1.154 -5.065 1.00 0.28 N ATOM 560 CA TRP A 36 1.253 -1.297 -4.281 1.00 0.24 C ATOM 561 C TRP A 36 0.418 -2.442 -4.878 1.00 0.25 C ATOM 562 O TRP A 36 -0.256 -2.299 -5.893 1.00 0.31 O ATOM 563 CB TRP A 36 0.481 0.024 -4.325 1.00 0.24 C ATOM 564 CG TRP A 36 0.934 0.892 -3.187 1.00 0.24 C ATOM 565 CD1 TRP A 36 1.696 2.009 -3.303 1.00 0.25 C ATOM 566 CD2 TRP A 36 0.680 0.726 -1.762 1.00 0.24 C ATOM 567 NE1 TRP A 36 1.908 2.540 -2.044 1.00 0.25 N ATOM 568 CE2 TRP A 36 1.304 1.785 -1.062 1.00 0.25 C ATOM 569 CE3 TRP A 36 -0.028 -0.230 -1.018 1.00 0.24 C ATOM 570 CZ2 TRP A 36 1.227 1.890 0.326 1.00 0.26 C ATOM 571 CZ3 TRP A 36 -0.105 -0.127 0.380 1.00 0.26 C ATOM 572 CH2 TRP A 36 0.519 0.929 1.049 1.00 0.26 C ATOM 0 H TRP A 36 2.452 -0.525 -5.866 1.00 0.28 H new ATOM 0 HA TRP A 36 1.476 -1.533 -3.241 1.00 0.24 H new ATOM 0 HB2 TRP A 36 0.653 0.529 -5.275 1.00 0.24 H new ATOM 0 HB3 TRP A 36 -0.590 -0.163 -4.253 1.00 0.24 H new ATOM 0 HD1 TRP A 36 2.075 2.417 -4.228 1.00 0.25 H new ATOM 0 HE1 TRP A 36 2.446 3.388 -1.864 1.00 0.25 H new ATOM 0 HE3 TRP A 36 -0.517 -1.050 -1.524 1.00 0.24 H new ATOM 0 HZ2 TRP A 36 1.711 2.709 0.838 1.00 0.26 H new ATOM 0 HZ3 TRP A 36 -0.651 -0.870 0.943 1.00 0.26 H new ATOM 0 HH2 TRP A 36 0.453 1.001 2.125 1.00 0.26 H new ATOM 583 N THR A 37 0.476 -3.594 -4.268 1.00 0.24 N ATOM 584 CA THR A 37 -0.291 -4.743 -4.810 1.00 0.28 C ATOM 585 C THR A 37 -1.533 -5.004 -3.967 1.00 0.27 C ATOM 586 O THR A 37 -1.758 -4.385 -2.945 1.00 0.33 O ATOM 587 CB THR A 37 0.585 -6.000 -4.839 1.00 0.35 C ATOM 588 OG1 THR A 37 1.753 -5.780 -4.061 1.00 0.39 O ATOM 589 CG2 THR A 37 0.982 -6.317 -6.281 1.00 0.41 C ATOM 0 H THR A 37 1.017 -3.785 -3.425 1.00 0.24 H new ATOM 0 HA THR A 37 -0.600 -4.498 -5.826 1.00 0.28 H new ATOM 0 HB THR A 37 0.027 -6.840 -4.427 1.00 0.35 H new ATOM 0 HG1 THR A 37 1.524 -5.819 -3.109 1.00 0.39 H new ATOM 0 HG21 THR A 37 1.605 -7.211 -6.299 1.00 0.41 H new ATOM 0 HG22 THR A 37 0.085 -6.488 -6.876 1.00 0.41 H new ATOM 0 HG23 THR A 37 1.540 -5.478 -6.698 1.00 0.41 H new ATOM 597 N VAL A 38 -2.356 -5.906 -4.413 1.00 0.40 N ATOM 598 CA VAL A 38 -3.608 -6.196 -3.681 1.00 0.41 C ATOM 599 C VAL A 38 -3.711 -7.696 -3.360 1.00 0.48 C ATOM 600 O VAL A 38 -4.613 -8.383 -3.795 1.00 1.27 O ATOM 601 CB VAL A 38 -4.764 -5.743 -4.569 1.00 0.40 C ATOM 602 CG1 VAL A 38 -5.007 -6.758 -5.679 1.00 0.39 C ATOM 603 CG2 VAL A 38 -6.021 -5.581 -3.733 1.00 0.49 C ATOM 0 H VAL A 38 -2.211 -6.457 -5.259 1.00 0.40 H new ATOM 0 HA VAL A 38 -3.632 -5.666 -2.729 1.00 0.41 H new ATOM 0 HB VAL A 38 -4.507 -4.785 -5.021 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -5.834 -6.422 -6.304 1.00 0.39 H new ATOM 0 HG12 VAL A 38 -4.108 -6.854 -6.287 1.00 0.39 H new ATOM 0 HG13 VAL A 38 -5.253 -7.725 -5.240 1.00 0.39 H new ATOM 0 HG21 VAL A 38 -6.843 -5.258 -4.371 1.00 0.49 H new ATOM 0 HG22 VAL A 38 -6.275 -6.534 -3.269 1.00 0.49 H new ATOM 0 HG23 VAL A 38 -5.849 -4.835 -2.957 1.00 0.49 H new ATOM 613 N GLY A 39 -2.798 -8.201 -2.579 1.00 0.96 N ATOM 614 CA GLY A 39 -2.841 -9.644 -2.209 1.00 1.03 C ATOM 615 C GLY A 39 -3.089 -10.497 -3.454 1.00 1.32 C ATOM 616 O GLY A 39 -2.743 -10.121 -4.556 1.00 2.16 O ATOM 0 H GLY A 39 -2.021 -7.675 -2.179 1.00 0.96 H new ATOM 0 HA2 GLY A 39 -1.901 -9.936 -1.740 1.00 1.03 H new ATOM 0 HA3 GLY A 39 -3.630 -9.817 -1.477 1.00 1.03 H new ATOM 620 N ASP A 40 -3.686 -11.646 -3.282 1.00 1.65 N ATOM 621 CA ASP A 40 -3.961 -12.534 -4.445 1.00 2.54 C ATOM 622 C ASP A 40 -2.653 -13.145 -4.958 1.00 2.24 C ATOM 623 O ASP A 40 -2.642 -13.899 -5.910 1.00 3.00 O ATOM 624 CB ASP A 40 -4.611 -11.713 -5.551 1.00 3.44 C ATOM 625 CG ASP A 40 -5.823 -12.465 -6.103 1.00 4.28 C ATOM 626 OD1 ASP A 40 -5.623 -13.491 -6.732 1.00 4.79 O ATOM 627 OD2 ASP A 40 -6.931 -12.002 -5.888 1.00 4.78 O ATOM 0 H ASP A 40 -3.996 -12.008 -2.380 1.00 1.65 H new ATOM 0 HA ASP A 40 -4.629 -13.339 -4.139 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -4.918 -10.742 -5.164 1.00 3.44 H new ATOM 0 HB3 ASP A 40 -3.892 -11.525 -6.349 1.00 3.44 H new ATOM 632 N SER A 41 -1.551 -12.829 -4.332 1.00 1.52 N ATOM 633 CA SER A 41 -0.249 -13.396 -4.782 1.00 1.74 C ATOM 634 C SER A 41 0.013 -12.990 -6.233 1.00 1.37 C ATOM 635 O SER A 41 0.375 -13.804 -7.059 1.00 1.81 O ATOM 636 CB SER A 41 -0.295 -14.920 -4.678 1.00 2.40 C ATOM 637 OG SER A 41 1.005 -15.410 -4.377 1.00 2.77 O ATOM 0 H SER A 41 -1.497 -12.203 -3.529 1.00 1.52 H new ATOM 0 HA SER A 41 0.552 -13.012 -4.150 1.00 1.74 H new ATOM 0 HB2 SER A 41 -0.999 -15.222 -3.902 1.00 2.40 H new ATOM 0 HB3 SER A 41 -0.650 -15.349 -5.615 1.00 2.40 H new ATOM 0 HG SER A 41 0.978 -16.387 -4.308 1.00 2.77 H new ATOM 643 N GLY A 42 -0.164 -11.738 -6.549 1.00 0.86 N ATOM 644 CA GLY A 42 0.077 -11.283 -7.947 1.00 0.98 C ATOM 645 C GLY A 42 -0.904 -10.163 -8.297 1.00 0.88 C ATOM 646 O GLY A 42 -0.684 -9.396 -9.213 1.00 1.26 O ATOM 0 H GLY A 42 -0.465 -11.010 -5.901 1.00 0.86 H new ATOM 0 HA2 GLY A 42 1.102 -10.929 -8.053 1.00 0.98 H new ATOM 0 HA3 GLY A 42 -0.046 -12.117 -8.638 1.00 0.98 H new ATOM 650 N ALA A 43 -1.985 -10.063 -7.574 1.00 0.56 N ATOM 651 CA ALA A 43 -2.975 -8.998 -7.860 1.00 0.52 C ATOM 652 C ALA A 43 -2.373 -7.645 -7.482 1.00 0.49 C ATOM 653 O ALA A 43 -1.403 -7.574 -6.754 1.00 0.50 O ATOM 654 CB ALA A 43 -4.248 -9.247 -7.045 1.00 0.56 C ATOM 0 H ALA A 43 -2.222 -10.678 -6.795 1.00 0.56 H new ATOM 0 HA ALA A 43 -3.227 -9.002 -8.920 1.00 0.52 H new ATOM 0 HB1 ALA A 43 -4.975 -8.463 -7.257 1.00 0.56 H new ATOM 0 HB2 ALA A 43 -4.670 -10.215 -7.315 1.00 0.56 H new ATOM 0 HB3 ALA A 43 -4.007 -9.241 -5.982 1.00 0.56 H new ATOM 660 N ALA A 44 -2.931 -6.571 -7.968 1.00 0.56 N ATOM 661 CA ALA A 44 -2.373 -5.234 -7.623 1.00 0.57 C ATOM 662 C ALA A 44 -3.515 -4.240 -7.414 1.00 0.44 C ATOM 663 O ALA A 44 -4.660 -4.539 -7.686 1.00 0.52 O ATOM 664 CB ALA A 44 -1.469 -4.747 -8.757 1.00 0.70 C ATOM 0 H ALA A 44 -3.743 -6.561 -8.585 1.00 0.56 H new ATOM 0 HA ALA A 44 -1.790 -5.312 -6.705 1.00 0.57 H new ATOM 0 HB1 ALA A 44 -1.062 -3.768 -8.503 1.00 0.70 H new ATOM 0 HB2 ALA A 44 -0.652 -5.454 -8.900 1.00 0.70 H new ATOM 0 HB3 ALA A 44 -2.048 -4.671 -9.677 1.00 0.70 H new ATOM 670 N LEU A 45 -3.222 -3.052 -6.946 1.00 0.39 N ATOM 671 CA LEU A 45 -4.331 -2.064 -6.752 1.00 0.51 C ATOM 672 C LEU A 45 -3.867 -0.670 -7.172 1.00 0.79 C ATOM 673 O LEU A 45 -2.713 -0.316 -7.034 1.00 1.39 O ATOM 674 CB LEU A 45 -4.833 -2.072 -5.296 1.00 0.94 C ATOM 675 CG LEU A 45 -3.813 -1.464 -4.336 1.00 0.37 C ATOM 676 CD1 LEU A 45 -2.442 -2.028 -4.623 1.00 0.80 C ATOM 677 CD2 LEU A 45 -3.795 0.059 -4.483 1.00 0.68 C ATOM 0 H LEU A 45 -2.288 -2.728 -6.695 1.00 0.39 H new ATOM 0 HA LEU A 45 -5.170 -2.353 -7.384 1.00 0.51 H new ATOM 0 HB2 LEU A 45 -5.768 -1.515 -5.232 1.00 0.94 H new ATOM 0 HB3 LEU A 45 -5.050 -3.096 -4.993 1.00 0.94 H new ATOM 0 HG LEU A 45 -4.094 -1.714 -3.313 1.00 0.37 H new ATOM 0 HD11 LEU A 45 -1.718 -1.591 -3.936 1.00 0.80 H new ATOM 0 HD12 LEU A 45 -2.459 -3.110 -4.493 1.00 0.80 H new ATOM 0 HD13 LEU A 45 -2.158 -1.790 -5.648 1.00 0.80 H new ATOM 0 HD21 LEU A 45 -3.064 0.482 -3.794 1.00 0.68 H new ATOM 0 HD22 LEU A 45 -3.525 0.323 -5.506 1.00 0.68 H new ATOM 0 HD23 LEU A 45 -4.783 0.458 -4.254 1.00 0.68 H new ATOM 689 N ALA A 46 -4.761 0.118 -7.709 1.00 1.01 N ATOM 690 CA ALA A 46 -4.378 1.481 -8.166 1.00 1.54 C ATOM 691 C ALA A 46 -5.472 2.063 -9.076 1.00 1.14 C ATOM 692 O ALA A 46 -5.944 3.157 -8.840 1.00 1.12 O ATOM 693 CB ALA A 46 -3.062 1.405 -8.942 1.00 2.34 C ATOM 0 H ALA A 46 -5.741 -0.126 -7.850 1.00 1.01 H new ATOM 0 HA ALA A 46 -4.259 2.126 -7.296 1.00 1.54 H new ATOM 0 HB1 ALA A 46 -2.780 2.403 -9.278 1.00 2.34 H new ATOM 0 HB2 ALA A 46 -2.281 1.005 -8.295 1.00 2.34 H new ATOM 0 HB3 ALA A 46 -3.187 0.753 -9.807 1.00 2.34 H new ATOM 699 N PRO A 47 -5.847 1.323 -10.094 1.00 1.15 N ATOM 700 CA PRO A 47 -6.879 1.773 -11.047 1.00 1.23 C ATOM 701 C PRO A 47 -8.257 1.783 -10.382 1.00 1.09 C ATOM 702 O PRO A 47 -9.219 2.285 -10.928 1.00 1.63 O ATOM 703 CB PRO A 47 -6.789 0.761 -12.193 1.00 1.59 C ATOM 704 CG PRO A 47 -6.107 -0.496 -11.610 1.00 1.66 C ATOM 705 CD PRO A 47 -5.305 -0.025 -10.382 1.00 1.46 C ATOM 0 HA PRO A 47 -6.728 2.793 -11.400 1.00 1.23 H new ATOM 0 HB2 PRO A 47 -7.780 0.522 -12.579 1.00 1.59 H new ATOM 0 HB3 PRO A 47 -6.212 1.166 -13.025 1.00 1.59 H new ATOM 0 HG2 PRO A 47 -6.848 -1.244 -11.327 1.00 1.66 H new ATOM 0 HG3 PRO A 47 -5.452 -0.960 -12.347 1.00 1.66 H new ATOM 0 HD2 PRO A 47 -5.440 -0.698 -9.535 1.00 1.46 H new ATOM 0 HD3 PRO A 47 -4.236 0.012 -10.593 1.00 1.46 H new ATOM 713 N GLU A 48 -8.347 1.264 -9.191 1.00 0.85 N ATOM 714 CA GLU A 48 -9.647 1.278 -8.466 1.00 0.94 C ATOM 715 C GLU A 48 -9.546 2.314 -7.348 1.00 0.83 C ATOM 716 O GLU A 48 -10.271 2.276 -6.374 1.00 1.19 O ATOM 717 CB GLU A 48 -9.923 -0.104 -7.868 1.00 1.25 C ATOM 718 CG GLU A 48 -10.866 -0.881 -8.789 1.00 1.82 C ATOM 719 CD GLU A 48 -12.261 -0.936 -8.165 1.00 2.20 C ATOM 720 OE1 GLU A 48 -12.519 -1.865 -7.417 1.00 2.72 O ATOM 721 OE2 GLU A 48 -13.049 -0.047 -8.445 1.00 2.68 O ATOM 0 H GLU A 48 -7.574 0.829 -8.687 1.00 0.85 H new ATOM 0 HA GLU A 48 -10.460 1.529 -9.147 1.00 0.94 H new ATOM 0 HB2 GLU A 48 -8.988 -0.651 -7.742 1.00 1.25 H new ATOM 0 HB3 GLU A 48 -10.368 -0.001 -6.878 1.00 1.25 H new ATOM 0 HG2 GLU A 48 -10.912 -0.402 -9.767 1.00 1.82 H new ATOM 0 HG3 GLU A 48 -10.487 -1.891 -8.947 1.00 1.82 H new ATOM 728 N LEU A 49 -8.629 3.234 -7.487 1.00 0.51 N ATOM 729 CA LEU A 49 -8.438 4.277 -6.451 1.00 0.42 C ATOM 730 C LEU A 49 -7.248 5.147 -6.854 1.00 0.45 C ATOM 731 O LEU A 49 -6.806 5.122 -7.985 1.00 0.54 O ATOM 732 CB LEU A 49 -8.168 3.604 -5.105 1.00 0.49 C ATOM 733 CG LEU A 49 -7.137 2.488 -5.283 1.00 0.47 C ATOM 734 CD1 LEU A 49 -5.768 2.963 -4.793 1.00 0.64 C ATOM 735 CD2 LEU A 49 -7.569 1.272 -4.467 1.00 0.83 C ATOM 0 H LEU A 49 -7.999 3.304 -8.286 1.00 0.51 H new ATOM 0 HA LEU A 49 -9.330 4.897 -6.362 1.00 0.42 H new ATOM 0 HB2 LEU A 49 -7.803 4.338 -4.387 1.00 0.49 H new ATOM 0 HB3 LEU A 49 -9.094 3.196 -4.700 1.00 0.49 H new ATOM 0 HG LEU A 49 -7.070 2.223 -6.338 1.00 0.47 H new ATOM 0 HD11 LEU A 49 -5.038 2.164 -4.922 1.00 0.64 H new ATOM 0 HD12 LEU A 49 -5.458 3.835 -5.369 1.00 0.64 H new ATOM 0 HD13 LEU A 49 -5.831 3.229 -3.738 1.00 0.64 H new ATOM 0 HD21 LEU A 49 -6.838 0.473 -4.590 1.00 0.83 H new ATOM 0 HD22 LEU A 49 -7.634 1.545 -3.414 1.00 0.83 H new ATOM 0 HD23 LEU A 49 -8.544 0.929 -4.814 1.00 0.83 H new ATOM 747 N LEU A 50 -6.719 5.909 -5.947 1.00 0.41 N ATOM 748 CA LEU A 50 -5.548 6.765 -6.293 1.00 0.49 C ATOM 749 C LEU A 50 -4.318 6.201 -5.581 1.00 0.51 C ATOM 750 O LEU A 50 -4.440 5.424 -4.656 1.00 1.04 O ATOM 751 CB LEU A 50 -5.807 8.200 -5.829 1.00 0.49 C ATOM 752 CG LEU A 50 -6.353 9.040 -6.980 1.00 1.21 C ATOM 753 CD1 LEU A 50 -6.704 10.438 -6.458 1.00 1.70 C ATOM 754 CD2 LEU A 50 -5.291 9.155 -8.075 1.00 2.10 C ATOM 0 H LEU A 50 -7.042 5.980 -4.982 1.00 0.41 H new ATOM 0 HA LEU A 50 -5.386 6.771 -7.371 1.00 0.49 H new ATOM 0 HB2 LEU A 50 -6.517 8.199 -5.002 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -4.883 8.641 -5.455 1.00 0.49 H new ATOM 0 HG LEU A 50 -7.245 8.567 -7.391 1.00 1.21 H new ATOM 0 HD11 LEU A 50 -7.095 11.044 -7.275 1.00 1.70 H new ATOM 0 HD12 LEU A 50 -7.458 10.355 -5.675 1.00 1.70 H new ATOM 0 HD13 LEU A 50 -5.809 10.910 -6.052 1.00 1.70 H new ATOM 0 HD21 LEU A 50 -5.680 9.755 -8.898 1.00 2.10 H new ATOM 0 HD22 LEU A 50 -4.399 9.632 -7.668 1.00 2.10 H new ATOM 0 HD23 LEU A 50 -5.036 8.160 -8.440 1.00 2.10 H new ATOM 766 N VAL A 51 -3.134 6.561 -5.997 1.00 0.34 N ATOM 767 CA VAL A 51 -1.930 6.004 -5.317 1.00 0.31 C ATOM 768 C VAL A 51 -0.752 6.976 -5.407 1.00 0.34 C ATOM 769 O VAL A 51 -0.531 7.618 -6.415 1.00 0.51 O ATOM 770 CB VAL A 51 -1.543 4.680 -5.976 1.00 0.34 C ATOM 771 CG1 VAL A 51 -0.324 4.092 -5.262 1.00 0.34 C ATOM 772 CG2 VAL A 51 -2.713 3.703 -5.869 1.00 0.33 C ATOM 0 H VAL A 51 -2.949 7.206 -6.765 1.00 0.34 H new ATOM 0 HA VAL A 51 -2.169 5.845 -4.266 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.302 4.851 -7.025 1.00 0.34 H new ATOM 0 HG11 VAL A 51 -0.048 3.148 -5.732 1.00 0.34 H new ATOM 0 HG12 VAL A 51 0.510 4.790 -5.332 1.00 0.34 H new ATOM 0 HG13 VAL A 51 -0.565 3.919 -4.213 1.00 0.34 H new ATOM 0 HG21 VAL A 51 -2.441 2.757 -6.338 1.00 0.33 H new ATOM 0 HG22 VAL A 51 -2.950 3.533 -4.819 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -3.584 4.121 -6.374 1.00 0.33 H new ATOM 782 N ASP A 52 0.015 7.066 -4.355 1.00 0.28 N ATOM 783 CA ASP A 52 1.201 7.966 -4.349 1.00 0.30 C ATOM 784 C ASP A 52 2.346 7.240 -3.640 1.00 0.28 C ATOM 785 O ASP A 52 2.124 6.343 -2.850 1.00 0.29 O ATOM 786 CB ASP A 52 0.866 9.257 -3.597 1.00 0.34 C ATOM 787 CG ASP A 52 -0.337 9.935 -4.254 1.00 1.15 C ATOM 788 OD1 ASP A 52 -1.435 9.426 -4.102 1.00 1.89 O ATOM 789 OD2 ASP A 52 -0.140 10.952 -4.899 1.00 1.91 O ATOM 0 H ASP A 52 -0.132 6.547 -3.489 1.00 0.28 H new ATOM 0 HA ASP A 52 1.488 8.219 -5.370 1.00 0.30 H new ATOM 0 HB2 ASP A 52 0.646 9.035 -2.553 1.00 0.34 H new ATOM 0 HB3 ASP A 52 1.725 9.928 -3.606 1.00 0.34 H new ATOM 794 N ALA A 53 3.569 7.592 -3.908 1.00 0.29 N ATOM 795 CA ALA A 53 4.677 6.874 -3.226 1.00 0.28 C ATOM 796 C ALA A 53 5.963 7.704 -3.249 1.00 0.32 C ATOM 797 O ALA A 53 6.238 8.431 -4.184 1.00 0.43 O ATOM 798 CB ALA A 53 4.901 5.534 -3.924 1.00 0.29 C ATOM 0 H ALA A 53 3.847 8.330 -4.555 1.00 0.29 H new ATOM 0 HA ALA A 53 4.407 6.708 -2.183 1.00 0.28 H new ATOM 0 HB1 ALA A 53 5.712 4.998 -3.431 1.00 0.29 H new ATOM 0 HB2 ALA A 53 3.989 4.939 -3.871 1.00 0.29 H new ATOM 0 HB3 ALA A 53 5.162 5.707 -4.968 1.00 0.29 H new ATOM 804 N LYS A 54 6.748 7.597 -2.209 1.00 0.35 N ATOM 805 CA LYS A 54 8.023 8.372 -2.132 1.00 0.41 C ATOM 806 C LYS A 54 9.212 7.417 -1.936 1.00 0.40 C ATOM 807 O LYS A 54 9.064 6.294 -1.499 1.00 0.42 O ATOM 808 CB LYS A 54 7.952 9.348 -0.956 1.00 0.56 C ATOM 809 CG LYS A 54 7.577 10.740 -1.470 1.00 1.26 C ATOM 810 CD LYS A 54 7.565 11.730 -0.304 1.00 1.72 C ATOM 811 CE LYS A 54 7.033 13.081 -0.787 1.00 2.32 C ATOM 812 NZ LYS A 54 6.810 13.974 0.385 1.00 2.79 N ATOM 0 H LYS A 54 6.559 7.001 -1.403 1.00 0.35 H new ATOM 0 HA LYS A 54 8.162 8.924 -3.061 1.00 0.41 H new ATOM 0 HB2 LYS A 54 7.215 9.006 -0.230 1.00 0.56 H new ATOM 0 HB3 LYS A 54 8.912 9.385 -0.442 1.00 0.56 H new ATOM 0 HG2 LYS A 54 8.290 11.064 -2.228 1.00 1.26 H new ATOM 0 HG3 LYS A 54 6.597 10.711 -1.946 1.00 1.26 H new ATOM 0 HD2 LYS A 54 6.940 11.349 0.504 1.00 1.72 H new ATOM 0 HD3 LYS A 54 8.571 11.846 0.099 1.00 1.72 H new ATOM 0 HE2 LYS A 54 7.743 13.538 -1.476 1.00 2.32 H new ATOM 0 HE3 LYS A 54 6.101 12.942 -1.335 1.00 2.32 H new ATOM 0 HZ1 LYS A 54 6.448 14.893 0.058 1.00 2.79 H new ATOM 0 HZ2 LYS A 54 6.117 13.538 1.027 1.00 2.79 H new ATOM 0 HZ3 LYS A 54 7.708 14.116 0.890 1.00 2.79 H new ATOM 826 N SER A 55 10.390 7.859 -2.273 1.00 0.45 N ATOM 827 CA SER A 55 11.598 6.991 -2.137 1.00 0.54 C ATOM 828 C SER A 55 11.700 6.372 -0.734 1.00 0.42 C ATOM 829 O SER A 55 11.889 5.182 -0.591 1.00 0.63 O ATOM 830 CB SER A 55 12.848 7.829 -2.405 1.00 0.71 C ATOM 831 OG SER A 55 12.540 8.841 -3.355 1.00 1.48 O ATOM 0 H SER A 55 10.572 8.793 -2.641 1.00 0.45 H new ATOM 0 HA SER A 55 11.514 6.179 -2.859 1.00 0.54 H new ATOM 0 HB2 SER A 55 13.203 8.280 -1.478 1.00 0.71 H new ATOM 0 HB3 SER A 55 13.652 7.195 -2.779 1.00 0.71 H new ATOM 0 HG SER A 55 13.339 9.381 -3.528 1.00 1.48 H new ATOM 837 N SER A 56 11.612 7.161 0.301 1.00 0.32 N ATOM 838 CA SER A 56 11.747 6.589 1.676 1.00 0.50 C ATOM 839 C SER A 56 10.373 6.389 2.316 1.00 0.45 C ATOM 840 O SER A 56 10.244 6.350 3.524 1.00 0.67 O ATOM 841 CB SER A 56 12.569 7.544 2.540 1.00 0.70 C ATOM 842 OG SER A 56 13.545 8.187 1.731 1.00 1.21 O ATOM 0 H SER A 56 11.454 8.168 0.259 1.00 0.32 H new ATOM 0 HA SER A 56 12.244 5.622 1.605 1.00 0.50 H new ATOM 0 HB2 SER A 56 11.918 8.286 3.003 1.00 0.70 H new ATOM 0 HB3 SER A 56 13.053 6.996 3.348 1.00 0.70 H new ATOM 0 HG SER A 56 14.073 8.802 2.282 1.00 1.21 H new ATOM 848 N THR A 57 9.345 6.262 1.531 1.00 0.29 N ATOM 849 CA THR A 57 7.992 6.072 2.127 1.00 0.25 C ATOM 850 C THR A 57 6.976 5.917 1.007 1.00 0.24 C ATOM 851 O THR A 57 7.332 5.760 -0.137 1.00 0.27 O ATOM 852 CB THR A 57 7.643 7.314 2.958 1.00 0.28 C ATOM 853 OG1 THR A 57 6.494 7.066 3.753 1.00 0.27 O ATOM 854 CG2 THR A 57 7.360 8.482 2.017 1.00 0.32 C ATOM 0 H THR A 57 9.378 6.281 0.512 1.00 0.29 H new ATOM 0 HA THR A 57 7.979 5.184 2.760 1.00 0.25 H new ATOM 0 HB THR A 57 8.482 7.553 3.611 1.00 0.28 H new ATOM 0 HG1 THR A 57 6.085 7.918 4.012 1.00 0.27 H new ATOM 0 HG21 THR A 57 7.111 9.368 2.601 1.00 0.32 H new ATOM 0 HG22 THR A 57 8.243 8.683 1.411 1.00 0.32 H new ATOM 0 HG23 THR A 57 6.523 8.230 1.366 1.00 0.32 H new ATOM 862 N THR A 58 5.716 5.978 1.318 1.00 0.22 N ATOM 863 CA THR A 58 4.696 5.867 0.252 1.00 0.23 C ATOM 864 C THR A 58 3.304 5.925 0.870 1.00 0.22 C ATOM 865 O THR A 58 3.104 5.578 2.014 1.00 0.28 O ATOM 866 CB THR A 58 4.862 4.548 -0.507 1.00 0.26 C ATOM 867 OG1 THR A 58 4.097 4.596 -1.700 1.00 0.29 O ATOM 868 CG2 THR A 58 4.371 3.394 0.361 1.00 0.26 C ATOM 0 H THR A 58 5.351 6.100 2.263 1.00 0.22 H new ATOM 0 HA THR A 58 4.824 6.695 -0.445 1.00 0.23 H new ATOM 0 HB THR A 58 5.914 4.397 -0.750 1.00 0.26 H new ATOM 0 HG1 THR A 58 4.214 3.760 -2.198 1.00 0.29 H new ATOM 0 HG21 THR A 58 4.490 2.455 -0.180 1.00 0.26 H new ATOM 0 HG22 THR A 58 4.953 3.358 1.282 1.00 0.26 H new ATOM 0 HG23 THR A 58 3.319 3.543 0.603 1.00 0.26 H new ATOM 876 N SER A 59 2.339 6.349 0.111 1.00 0.23 N ATOM 877 CA SER A 59 0.950 6.420 0.632 1.00 0.21 C ATOM 878 C SER A 59 0.014 6.397 -0.556 1.00 0.21 C ATOM 879 O SER A 59 0.313 6.937 -1.600 1.00 0.24 O ATOM 880 CB SER A 59 0.752 7.704 1.438 1.00 0.24 C ATOM 881 OG SER A 59 1.326 8.795 0.730 1.00 1.02 O ATOM 0 H SER A 59 2.453 6.652 -0.856 1.00 0.23 H new ATOM 0 HA SER A 59 0.747 5.577 1.293 1.00 0.21 H new ATOM 0 HB2 SER A 59 -0.310 7.882 1.605 1.00 0.24 H new ATOM 0 HB3 SER A 59 1.217 7.607 2.419 1.00 0.24 H new ATOM 0 HG SER A 59 1.200 9.621 1.243 1.00 1.02 H new ATOM 887 N ILE A 60 -1.100 5.754 -0.438 1.00 0.19 N ATOM 888 CA ILE A 60 -1.989 5.688 -1.611 1.00 0.20 C ATOM 889 C ILE A 60 -3.409 6.104 -1.240 1.00 0.24 C ATOM 890 O ILE A 60 -3.799 6.115 -0.089 1.00 0.48 O ATOM 891 CB ILE A 60 -1.899 4.276 -2.204 1.00 0.20 C ATOM 892 CG1 ILE A 60 -2.748 3.289 -1.401 1.00 0.23 C ATOM 893 CG2 ILE A 60 -0.434 3.816 -2.142 1.00 0.22 C ATOM 894 CD1 ILE A 60 -2.579 1.885 -1.988 1.00 0.27 C ATOM 0 H ILE A 60 -1.429 5.280 0.403 1.00 0.19 H new ATOM 0 HA ILE A 60 -1.673 6.396 -2.377 1.00 0.20 H new ATOM 0 HB ILE A 60 -2.265 4.302 -3.230 1.00 0.20 H new ATOM 0 HG12 ILE A 60 -2.444 3.297 -0.354 1.00 0.23 H new ATOM 0 HG13 ILE A 60 -3.797 3.585 -1.431 1.00 0.23 H new ATOM 0 HG21 ILE A 60 -0.350 2.813 -2.560 1.00 0.22 H new ATOM 0 HG22 ILE A 60 0.187 4.502 -2.717 1.00 0.22 H new ATOM 0 HG23 ILE A 60 -0.099 3.806 -1.105 1.00 0.22 H new ATOM 0 HD11 ILE A 60 -3.182 1.178 -1.419 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -2.904 1.884 -3.028 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -1.530 1.592 -1.935 1.00 0.27 H new ATOM 906 N PHE A 61 -4.140 6.545 -2.221 1.00 0.29 N ATOM 907 CA PHE A 61 -5.503 7.089 -1.984 1.00 0.36 C ATOM 908 C PHE A 61 -6.629 6.120 -2.344 1.00 0.21 C ATOM 909 O PHE A 61 -6.475 5.230 -3.152 1.00 0.27 O ATOM 910 CB PHE A 61 -5.633 8.299 -2.885 1.00 0.65 C ATOM 911 CG PHE A 61 -5.335 9.537 -2.115 1.00 0.34 C ATOM 912 CD1 PHE A 61 -4.158 9.624 -1.377 1.00 0.53 C ATOM 913 CD2 PHE A 61 -6.230 10.599 -2.152 1.00 0.71 C ATOM 914 CE1 PHE A 61 -3.869 10.782 -0.668 1.00 0.79 C ATOM 915 CE2 PHE A 61 -5.955 11.762 -1.446 1.00 1.03 C ATOM 916 CZ PHE A 61 -4.769 11.862 -0.697 1.00 1.00 C ATOM 0 H PHE A 61 -3.844 6.552 -3.197 1.00 0.29 H new ATOM 0 HA PHE A 61 -5.604 7.305 -0.920 1.00 0.36 H new ATOM 0 HB2 PHE A 61 -4.948 8.211 -3.728 1.00 0.65 H new ATOM 0 HB3 PHE A 61 -6.641 8.350 -3.297 1.00 0.65 H new ATOM 0 HD1 PHE A 61 -3.470 8.791 -1.356 1.00 0.53 H new ATOM 0 HD2 PHE A 61 -7.139 10.520 -2.730 1.00 0.71 H new ATOM 0 HE1 PHE A 61 -2.956 10.853 -0.096 1.00 0.79 H new ATOM 0 HE2 PHE A 61 -6.650 12.588 -1.472 1.00 1.03 H new ATOM 0 HZ PHE A 61 -4.550 12.765 -0.146 1.00 1.00 H new ATOM 926 N PHE A 62 -7.787 6.353 -1.766 1.00 0.25 N ATOM 927 CA PHE A 62 -8.991 5.521 -2.065 1.00 0.18 C ATOM 928 C PHE A 62 -10.231 6.431 -2.109 1.00 0.22 C ATOM 929 O PHE A 62 -11.242 6.091 -1.530 1.00 0.25 O ATOM 930 CB PHE A 62 -9.260 4.512 -0.949 1.00 0.27 C ATOM 931 CG PHE A 62 -8.139 3.519 -0.773 1.00 0.28 C ATOM 932 CD1 PHE A 62 -6.849 3.947 -0.443 1.00 0.55 C ATOM 933 CD2 PHE A 62 -8.411 2.153 -0.910 1.00 0.63 C ATOM 934 CE1 PHE A 62 -5.830 3.006 -0.253 1.00 0.59 C ATOM 935 CE2 PHE A 62 -7.394 1.214 -0.724 1.00 0.71 C ATOM 936 CZ PHE A 62 -6.103 1.639 -0.396 1.00 0.48 C ATOM 0 H PHE A 62 -7.947 7.099 -1.089 1.00 0.25 H new ATOM 0 HA PHE A 62 -8.807 5.010 -3.010 1.00 0.18 H new ATOM 0 HB2 PHE A 62 -9.415 5.047 -0.012 1.00 0.27 H new ATOM 0 HB3 PHE A 62 -10.183 3.975 -1.166 1.00 0.27 H new ATOM 0 HD1 PHE A 62 -6.639 5.001 -0.335 1.00 0.55 H new ATOM 0 HD2 PHE A 62 -9.409 1.824 -1.160 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -4.833 3.334 0.004 1.00 0.59 H new ATOM 0 HE2 PHE A 62 -7.605 0.160 -0.833 1.00 0.71 H new ATOM 0 HZ PHE A 62 -5.316 0.913 -0.253 1.00 0.48 H new ATOM 946 N PRO A 63 -10.137 7.549 -2.784 1.00 0.32 N ATOM 947 CA PRO A 63 -11.267 8.491 -2.895 1.00 0.39 C ATOM 948 C PRO A 63 -12.428 7.823 -3.626 1.00 0.32 C ATOM 949 O PRO A 63 -13.546 8.299 -3.622 1.00 0.38 O ATOM 950 CB PRO A 63 -10.679 9.673 -3.674 1.00 0.54 C ATOM 951 CG PRO A 63 -9.442 9.113 -4.402 1.00 0.55 C ATOM 952 CD PRO A 63 -8.932 7.971 -3.510 1.00 0.44 C ATOM 0 HA PRO A 63 -11.675 8.812 -1.937 1.00 0.39 H new ATOM 0 HB2 PRO A 63 -11.403 10.075 -4.383 1.00 0.54 H new ATOM 0 HB3 PRO A 63 -10.404 10.487 -3.003 1.00 0.54 H new ATOM 0 HG2 PRO A 63 -9.701 8.750 -5.397 1.00 0.55 H new ATOM 0 HG3 PRO A 63 -8.680 9.882 -4.532 1.00 0.55 H new ATOM 0 HD2 PRO A 63 -8.511 7.157 -4.100 1.00 0.44 H new ATOM 0 HD3 PRO A 63 -8.150 8.309 -2.830 1.00 0.44 H new ATOM 960 N SER A 64 -12.165 6.703 -4.228 1.00 0.25 N ATOM 961 CA SER A 64 -13.236 5.959 -4.940 1.00 0.27 C ATOM 962 C SER A 64 -13.328 4.549 -4.349 1.00 0.25 C ATOM 963 O SER A 64 -13.361 3.570 -5.068 1.00 0.31 O ATOM 964 CB SER A 64 -12.895 5.866 -6.429 1.00 0.37 C ATOM 965 OG SER A 64 -13.919 6.498 -7.185 1.00 1.09 O ATOM 0 H SER A 64 -11.244 6.265 -4.258 1.00 0.25 H new ATOM 0 HA SER A 64 -14.188 6.477 -4.824 1.00 0.27 H new ATOM 0 HB2 SER A 64 -11.935 6.344 -6.625 1.00 0.37 H new ATOM 0 HB3 SER A 64 -12.798 4.822 -6.727 1.00 0.37 H new ATOM 0 HG SER A 64 -13.703 6.442 -8.139 1.00 1.09 H new ATOM 971 N ALA A 65 -13.359 4.429 -3.043 1.00 0.22 N ATOM 972 CA ALA A 65 -13.437 3.074 -2.432 1.00 0.25 C ATOM 973 C ALA A 65 -14.883 2.600 -2.406 1.00 0.28 C ATOM 974 O ALA A 65 -15.797 3.363 -2.147 1.00 0.30 O ATOM 975 CB ALA A 65 -12.902 3.106 -1.004 1.00 0.30 C ATOM 0 H ALA A 65 -13.334 5.206 -2.383 1.00 0.22 H new ATOM 0 HA ALA A 65 -12.834 2.391 -3.030 1.00 0.25 H new ATOM 0 HB1 ALA A 65 -12.965 2.108 -0.569 1.00 0.30 H new ATOM 0 HB2 ALA A 65 -11.862 3.433 -1.012 1.00 0.30 H new ATOM 0 HB3 ALA A 65 -13.496 3.799 -0.408 1.00 0.30 H new ATOM 981 N LYS A 66 -15.083 1.337 -2.663 1.00 0.32 N ATOM 982 CA LYS A 66 -16.459 0.766 -2.661 1.00 0.37 C ATOM 983 C LYS A 66 -16.400 -0.694 -2.209 1.00 0.31 C ATOM 984 O LYS A 66 -15.340 -1.251 -2.015 1.00 0.30 O ATOM 985 CB LYS A 66 -17.043 0.837 -4.073 1.00 0.47 C ATOM 986 CG LYS A 66 -17.762 2.174 -4.264 1.00 1.21 C ATOM 987 CD LYS A 66 -18.010 2.411 -5.755 1.00 1.54 C ATOM 988 CE LYS A 66 -18.625 1.155 -6.376 1.00 2.01 C ATOM 989 NZ LYS A 66 -19.473 1.540 -7.539 1.00 2.49 N ATOM 0 H LYS A 66 -14.343 0.669 -2.877 1.00 0.32 H new ATOM 0 HA LYS A 66 -17.089 1.336 -1.978 1.00 0.37 H new ATOM 0 HB2 LYS A 66 -16.249 0.731 -4.812 1.00 0.47 H new ATOM 0 HB3 LYS A 66 -17.738 0.013 -4.232 1.00 0.47 H new ATOM 0 HG2 LYS A 66 -18.708 2.171 -3.723 1.00 1.21 H new ATOM 0 HG3 LYS A 66 -17.161 2.984 -3.851 1.00 1.21 H new ATOM 0 HD2 LYS A 66 -18.677 3.262 -5.893 1.00 1.54 H new ATOM 0 HD3 LYS A 66 -17.073 2.656 -6.256 1.00 1.54 H new ATOM 0 HE2 LYS A 66 -17.838 0.472 -6.696 1.00 2.01 H new ATOM 0 HE3 LYS A 66 -19.224 0.626 -5.635 1.00 2.01 H new ATOM 0 HZ1 LYS A 66 -19.891 0.687 -7.961 1.00 2.49 H new ATOM 0 HZ2 LYS A 66 -20.232 2.176 -7.220 1.00 2.49 H new ATOM 0 HZ3 LYS A 66 -18.889 2.027 -8.249 1.00 2.49 H new ATOM 1003 N ARG A 67 -17.533 -1.318 -2.039 1.00 0.36 N ATOM 1004 CA ARG A 67 -17.540 -2.741 -1.596 1.00 0.38 C ATOM 1005 C ARG A 67 -16.490 -3.533 -2.380 1.00 0.39 C ATOM 1006 O ARG A 67 -15.787 -4.359 -1.834 1.00 0.44 O ATOM 1007 CB ARG A 67 -18.924 -3.344 -1.845 1.00 0.43 C ATOM 1008 CG ARG A 67 -18.914 -4.823 -1.452 1.00 1.54 C ATOM 1009 CD ARG A 67 -19.994 -5.568 -2.237 1.00 2.04 C ATOM 1010 NE ARG A 67 -20.861 -6.325 -1.290 1.00 2.73 N ATOM 1011 CZ ARG A 67 -22.073 -6.660 -1.639 1.00 3.38 C ATOM 1012 NH1 ARG A 67 -22.429 -6.610 -2.893 1.00 4.08 N ATOM 1013 NH2 ARG A 67 -22.929 -7.047 -0.732 1.00 3.80 N ATOM 0 H ARG A 67 -18.454 -0.905 -2.188 1.00 0.36 H new ATOM 0 HA ARG A 67 -17.306 -2.789 -0.533 1.00 0.38 H new ATOM 0 HB2 ARG A 67 -19.676 -2.808 -1.266 1.00 0.43 H new ATOM 0 HB3 ARG A 67 -19.195 -3.238 -2.895 1.00 0.43 H new ATOM 0 HG2 ARG A 67 -17.936 -5.258 -1.657 1.00 1.54 H new ATOM 0 HG3 ARG A 67 -19.091 -4.927 -0.381 1.00 1.54 H new ATOM 0 HD2 ARG A 67 -20.594 -4.862 -2.811 1.00 2.04 H new ATOM 0 HD3 ARG A 67 -19.534 -6.251 -2.951 1.00 2.04 H new ATOM 0 HE ARG A 67 -20.507 -6.581 -0.368 1.00 2.73 H new ATOM 0 HH11 ARG A 67 -21.760 -6.309 -3.602 1.00 4.08 H new ATOM 0 HH12 ARG A 67 -23.377 -6.872 -3.165 1.00 4.08 H new ATOM 0 HH21 ARG A 67 -22.650 -7.087 0.248 1.00 3.80 H new ATOM 0 HH22 ARG A 67 -23.877 -7.309 -1.004 1.00 3.80 H new ATOM 1027 N ALA A 68 -16.384 -3.294 -3.659 1.00 0.41 N ATOM 1028 CA ALA A 68 -15.390 -4.036 -4.478 1.00 0.50 C ATOM 1029 C ALA A 68 -13.982 -3.827 -3.915 1.00 0.45 C ATOM 1030 O ALA A 68 -13.206 -4.755 -3.800 1.00 0.50 O ATOM 1031 CB ALA A 68 -15.439 -3.528 -5.920 1.00 0.61 C ATOM 0 H ALA A 68 -16.946 -2.614 -4.171 1.00 0.41 H new ATOM 0 HA ALA A 68 -15.631 -5.099 -4.452 1.00 0.50 H new ATOM 0 HB1 ALA A 68 -14.711 -4.071 -6.522 1.00 0.61 H new ATOM 0 HB2 ALA A 68 -16.437 -3.687 -6.328 1.00 0.61 H new ATOM 0 HB3 ALA A 68 -15.204 -2.464 -5.939 1.00 0.61 H new ATOM 1037 N ASP A 69 -13.642 -2.615 -3.570 1.00 0.40 N ATOM 1038 CA ASP A 69 -12.280 -2.348 -3.023 1.00 0.39 C ATOM 1039 C ASP A 69 -11.922 -3.412 -1.983 1.00 0.34 C ATOM 1040 O ASP A 69 -10.765 -3.688 -1.738 1.00 0.37 O ATOM 1041 CB ASP A 69 -12.257 -0.966 -2.367 1.00 0.45 C ATOM 1042 CG ASP A 69 -11.642 0.047 -3.333 1.00 0.95 C ATOM 1043 OD1 ASP A 69 -11.977 -0.002 -4.505 1.00 1.65 O ATOM 1044 OD2 ASP A 69 -10.845 0.856 -2.886 1.00 1.67 O ATOM 0 H ASP A 69 -14.248 -1.798 -3.643 1.00 0.40 H new ATOM 0 HA ASP A 69 -11.553 -2.380 -3.835 1.00 0.39 H new ATOM 0 HB2 ASP A 69 -13.269 -0.662 -2.100 1.00 0.45 H new ATOM 0 HB3 ASP A 69 -11.680 -1.000 -1.443 1.00 0.45 H new ATOM 1049 N SER A 70 -12.905 -4.010 -1.367 1.00 0.33 N ATOM 1050 CA SER A 70 -12.619 -5.053 -0.340 1.00 0.33 C ATOM 1051 C SER A 70 -11.562 -6.028 -0.868 1.00 0.30 C ATOM 1052 O SER A 70 -11.874 -7.002 -1.523 1.00 0.33 O ATOM 1053 CB SER A 70 -13.903 -5.821 -0.023 1.00 0.40 C ATOM 1054 OG SER A 70 -14.171 -6.741 -1.074 1.00 1.39 O ATOM 0 H SER A 70 -13.894 -3.822 -1.530 1.00 0.33 H new ATOM 0 HA SER A 70 -12.245 -4.572 0.564 1.00 0.33 H new ATOM 0 HB2 SER A 70 -13.799 -6.352 0.923 1.00 0.40 H new ATOM 0 HB3 SER A 70 -14.737 -5.128 0.091 1.00 0.40 H new ATOM 0 HG SER A 70 -13.494 -7.450 -1.069 1.00 1.39 H new ATOM 1060 N GLY A 71 -10.312 -5.775 -0.584 1.00 0.30 N ATOM 1061 CA GLY A 71 -9.236 -6.689 -1.066 1.00 0.32 C ATOM 1062 C GLY A 71 -8.045 -6.633 -0.105 1.00 0.31 C ATOM 1063 O GLY A 71 -8.049 -5.900 0.867 1.00 0.37 O ATOM 0 H GLY A 71 -9.990 -4.975 -0.039 1.00 0.30 H new ATOM 0 HA2 GLY A 71 -9.614 -7.709 -1.133 1.00 0.32 H new ATOM 0 HA3 GLY A 71 -8.921 -6.399 -2.069 1.00 0.32 H new ATOM 1067 N ASN A 72 -7.020 -7.398 -0.371 1.00 0.29 N ATOM 1068 CA ASN A 72 -5.831 -7.381 0.523 1.00 0.31 C ATOM 1069 C ASN A 72 -4.761 -6.489 -0.099 1.00 0.29 C ATOM 1070 O ASN A 72 -3.986 -6.918 -0.926 1.00 0.35 O ATOM 1071 CB ASN A 72 -5.289 -8.803 0.681 1.00 0.36 C ATOM 1072 CG ASN A 72 -6.154 -9.571 1.682 1.00 1.15 C ATOM 1073 OD1 ASN A 72 -7.158 -9.067 2.146 1.00 1.95 O ATOM 1074 ND2 ASN A 72 -5.806 -10.777 2.038 1.00 1.80 N ATOM 0 H ASN A 72 -6.957 -8.032 -1.168 1.00 0.29 H new ATOM 0 HA ASN A 72 -6.109 -6.995 1.504 1.00 0.31 H new ATOM 0 HB2 ASN A 72 -5.290 -9.313 -0.282 1.00 0.36 H new ATOM 0 HB3 ASN A 72 -4.255 -8.773 1.025 1.00 0.36 H new ATOM 0 HD21 ASN A 72 -6.376 -11.296 2.705 1.00 1.80 H new ATOM 0 HD22 ASN A 72 -4.964 -11.200 1.649 1.00 1.80 H new ATOM 1081 N TYR A 73 -4.716 -5.248 0.288 1.00 0.25 N ATOM 1082 CA TYR A 73 -3.701 -4.328 -0.287 1.00 0.26 C ATOM 1083 C TYR A 73 -2.322 -4.711 0.247 1.00 0.27 C ATOM 1084 O TYR A 73 -1.928 -4.319 1.325 1.00 0.37 O ATOM 1085 CB TYR A 73 -4.050 -2.886 0.095 1.00 0.27 C ATOM 1086 CG TYR A 73 -5.119 -2.383 -0.849 1.00 0.30 C ATOM 1087 CD1 TYR A 73 -6.196 -3.213 -1.185 1.00 0.77 C ATOM 1088 CD2 TYR A 73 -5.024 -1.102 -1.408 1.00 0.68 C ATOM 1089 CE1 TYR A 73 -7.177 -2.765 -2.072 1.00 0.80 C ATOM 1090 CE2 TYR A 73 -6.007 -0.657 -2.304 1.00 0.70 C ATOM 1091 CZ TYR A 73 -7.083 -1.489 -2.634 1.00 0.41 C ATOM 1092 OH TYR A 73 -8.051 -1.053 -3.516 1.00 0.48 O ATOM 0 H TYR A 73 -5.339 -4.830 0.979 1.00 0.25 H new ATOM 0 HA TYR A 73 -3.692 -4.407 -1.374 1.00 0.26 H new ATOM 0 HB2 TYR A 73 -4.404 -2.842 1.125 1.00 0.27 H new ATOM 0 HB3 TYR A 73 -3.164 -2.254 0.035 1.00 0.27 H new ATOM 0 HD1 TYR A 73 -6.268 -4.202 -0.757 1.00 0.77 H new ATOM 0 HD2 TYR A 73 -4.196 -0.459 -1.150 1.00 0.68 H new ATOM 0 HE1 TYR A 73 -8.009 -3.405 -2.324 1.00 0.80 H new ATOM 0 HE2 TYR A 73 -5.934 0.328 -2.740 1.00 0.70 H new ATOM 0 HH TYR A 73 -8.767 -0.604 -3.020 1.00 0.48 H new ATOM 1102 N LYS A 74 -1.588 -5.484 -0.507 1.00 0.25 N ATOM 1103 CA LYS A 74 -0.234 -5.908 -0.054 1.00 0.27 C ATOM 1104 C LYS A 74 0.814 -5.085 -0.791 1.00 0.25 C ATOM 1105 O LYS A 74 0.891 -5.109 -2.001 1.00 0.47 O ATOM 1106 CB LYS A 74 -0.030 -7.392 -0.369 1.00 0.31 C ATOM 1107 CG LYS A 74 0.700 -8.066 0.794 1.00 0.99 C ATOM 1108 CD LYS A 74 1.710 -9.077 0.246 1.00 1.17 C ATOM 1109 CE LYS A 74 1.199 -10.498 0.498 1.00 1.82 C ATOM 1110 NZ LYS A 74 1.917 -11.085 1.664 1.00 2.16 N ATOM 0 H LYS A 74 -1.870 -5.841 -1.420 1.00 0.25 H new ATOM 0 HA LYS A 74 -0.139 -5.752 1.021 1.00 0.27 H new ATOM 0 HB2 LYS A 74 -0.993 -7.875 -0.536 1.00 0.31 H new ATOM 0 HB3 LYS A 74 0.546 -7.504 -1.287 1.00 0.31 H new ATOM 0 HG2 LYS A 74 1.211 -7.317 1.399 1.00 0.99 H new ATOM 0 HG3 LYS A 74 -0.016 -8.568 1.445 1.00 0.99 H new ATOM 0 HD2 LYS A 74 1.858 -8.917 -0.822 1.00 1.17 H new ATOM 0 HD3 LYS A 74 2.678 -8.937 0.727 1.00 1.17 H new ATOM 0 HE2 LYS A 74 0.126 -10.481 0.689 1.00 1.82 H new ATOM 0 HE3 LYS A 74 1.356 -11.115 -0.387 1.00 1.82 H new ATOM 0 HZ1 LYS A 74 2.222 -12.052 1.433 1.00 2.16 H new ATOM 0 HZ2 LYS A 74 2.750 -10.503 1.888 1.00 2.16 H new ATOM 0 HZ3 LYS A 74 1.281 -11.110 2.487 1.00 2.16 H new ATOM 1124 N LEU A 75 1.617 -4.350 -0.078 1.00 0.24 N ATOM 1125 CA LEU A 75 2.648 -3.521 -0.755 1.00 0.24 C ATOM 1126 C LEU A 75 4.034 -4.118 -0.503 1.00 0.25 C ATOM 1127 O LEU A 75 4.322 -4.613 0.567 1.00 0.28 O ATOM 1128 CB LEU A 75 2.562 -2.091 -0.209 1.00 0.30 C ATOM 1129 CG LEU A 75 3.874 -1.343 -0.436 1.00 0.24 C ATOM 1130 CD1 LEU A 75 3.593 0.001 -1.105 1.00 0.23 C ATOM 1131 CD2 LEU A 75 4.545 -1.102 0.914 1.00 0.26 C ATOM 0 H LEU A 75 1.604 -4.287 0.940 1.00 0.24 H new ATOM 0 HA LEU A 75 2.476 -3.504 -1.831 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.746 -1.559 -0.698 1.00 0.30 H new ATOM 0 HB3 LEU A 75 2.333 -2.117 0.856 1.00 0.30 H new ATOM 0 HG LEU A 75 4.526 -1.935 -1.079 1.00 0.24 H new ATOM 0 HD11 LEU A 75 4.532 0.531 -1.265 1.00 0.23 H new ATOM 0 HD12 LEU A 75 3.102 -0.165 -2.064 1.00 0.23 H new ATOM 0 HD13 LEU A 75 2.944 0.598 -0.464 1.00 0.23 H new ATOM 0 HD21 LEU A 75 5.483 -0.568 0.764 1.00 0.26 H new ATOM 0 HD22 LEU A 75 3.886 -0.507 1.547 1.00 0.26 H new ATOM 0 HD23 LEU A 75 4.745 -2.059 1.397 1.00 0.26 H new ATOM 1143 N LYS A 76 4.891 -4.079 -1.486 1.00 0.25 N ATOM 1144 CA LYS A 76 6.258 -4.648 -1.308 1.00 0.29 C ATOM 1145 C LYS A 76 7.286 -3.674 -1.883 1.00 0.28 C ATOM 1146 O LYS A 76 7.276 -3.375 -3.059 1.00 0.33 O ATOM 1147 CB LYS A 76 6.355 -5.985 -2.045 1.00 0.35 C ATOM 1148 CG LYS A 76 5.770 -7.095 -1.169 1.00 1.42 C ATOM 1149 CD LYS A 76 6.201 -8.458 -1.713 1.00 1.78 C ATOM 1150 CE LYS A 76 5.697 -8.621 -3.149 1.00 2.17 C ATOM 1151 NZ LYS A 76 6.587 -9.565 -3.883 1.00 2.64 N ATOM 0 H LYS A 76 4.704 -3.678 -2.405 1.00 0.25 H new ATOM 0 HA LYS A 76 6.454 -4.805 -0.247 1.00 0.29 H new ATOM 0 HB2 LYS A 76 5.815 -5.931 -2.991 1.00 0.35 H new ATOM 0 HB3 LYS A 76 7.395 -6.206 -2.284 1.00 0.35 H new ATOM 0 HG2 LYS A 76 6.111 -6.978 -0.140 1.00 1.42 H new ATOM 0 HG3 LYS A 76 4.682 -7.025 -1.154 1.00 1.42 H new ATOM 0 HD2 LYS A 76 7.287 -8.544 -1.686 1.00 1.78 H new ATOM 0 HD3 LYS A 76 5.802 -9.254 -1.084 1.00 1.78 H new ATOM 0 HE2 LYS A 76 4.674 -8.997 -3.146 1.00 2.17 H new ATOM 0 HE3 LYS A 76 5.680 -7.654 -3.652 1.00 2.17 H new ATOM 0 HZ1 LYS A 76 6.245 -9.676 -4.859 1.00 2.64 H new ATOM 0 HZ2 LYS A 76 7.556 -9.189 -3.896 1.00 2.64 H new ATOM 0 HZ3 LYS A 76 6.581 -10.489 -3.406 1.00 2.64 H new ATOM 1165 N VAL A 77 8.175 -3.175 -1.068 1.00 0.26 N ATOM 1166 CA VAL A 77 9.193 -2.219 -1.588 1.00 0.27 C ATOM 1167 C VAL A 77 10.577 -2.873 -1.544 1.00 0.33 C ATOM 1168 O VAL A 77 10.772 -3.886 -0.905 1.00 0.57 O ATOM 1169 CB VAL A 77 9.166 -0.931 -0.745 1.00 0.27 C ATOM 1170 CG1 VAL A 77 7.736 -0.669 -0.266 1.00 0.30 C ATOM 1171 CG2 VAL A 77 10.081 -1.061 0.479 1.00 0.32 C ATOM 0 H VAL A 77 8.241 -3.386 -0.072 1.00 0.26 H new ATOM 0 HA VAL A 77 8.966 -1.960 -2.622 1.00 0.27 H new ATOM 0 HB VAL A 77 9.518 -0.106 -1.365 1.00 0.27 H new ATOM 0 HG11 VAL A 77 7.714 0.242 0.331 1.00 0.30 H new ATOM 0 HG12 VAL A 77 7.079 -0.554 -1.128 1.00 0.30 H new ATOM 0 HG13 VAL A 77 7.396 -1.509 0.340 1.00 0.30 H new ATOM 0 HG21 VAL A 77 10.046 -0.139 1.059 1.00 0.32 H new ATOM 0 HG22 VAL A 77 9.745 -1.893 1.098 1.00 0.32 H new ATOM 0 HG23 VAL A 77 11.104 -1.244 0.151 1.00 0.32 H new ATOM 1181 N LYS A 78 11.537 -2.310 -2.225 1.00 0.30 N ATOM 1182 CA LYS A 78 12.903 -2.912 -2.221 1.00 0.35 C ATOM 1183 C LYS A 78 13.935 -1.846 -2.591 1.00 0.36 C ATOM 1184 O LYS A 78 13.614 -0.685 -2.744 1.00 0.51 O ATOM 1185 CB LYS A 78 12.971 -4.063 -3.234 1.00 0.42 C ATOM 1186 CG LYS A 78 11.917 -3.867 -4.328 1.00 1.43 C ATOM 1187 CD LYS A 78 11.771 -5.159 -5.136 1.00 1.72 C ATOM 1188 CE LYS A 78 13.090 -5.473 -5.844 1.00 2.30 C ATOM 1189 NZ LYS A 78 12.825 -6.342 -7.026 1.00 2.69 N ATOM 0 H LYS A 78 11.437 -1.462 -2.783 1.00 0.30 H new ATOM 0 HA LYS A 78 13.119 -3.298 -1.225 1.00 0.35 H new ATOM 0 HB2 LYS A 78 13.965 -4.107 -3.680 1.00 0.42 H new ATOM 0 HB3 LYS A 78 12.807 -5.014 -2.727 1.00 0.42 H new ATOM 0 HG2 LYS A 78 10.961 -3.595 -3.881 1.00 1.43 H new ATOM 0 HG3 LYS A 78 12.207 -3.046 -4.984 1.00 1.43 H new ATOM 0 HD2 LYS A 78 11.495 -5.983 -4.477 1.00 1.72 H new ATOM 0 HD3 LYS A 78 10.970 -5.054 -5.868 1.00 1.72 H new ATOM 0 HE2 LYS A 78 13.574 -4.549 -6.160 1.00 2.30 H new ATOM 0 HE3 LYS A 78 13.773 -5.973 -5.158 1.00 2.30 H new ATOM 0 HZ1 LYS A 78 13.722 -6.556 -7.508 1.00 2.69 H new ATOM 0 HZ2 LYS A 78 12.380 -7.228 -6.713 1.00 2.69 H new ATOM 0 HZ3 LYS A 78 12.188 -5.849 -7.684 1.00 2.69 H new ATOM 1203 N ASN A 79 15.176 -2.228 -2.734 1.00 0.37 N ATOM 1204 CA ASN A 79 16.221 -1.229 -3.093 1.00 0.43 C ATOM 1205 C ASN A 79 17.569 -1.929 -3.288 1.00 0.47 C ATOM 1206 O ASN A 79 18.350 -2.057 -2.368 1.00 0.85 O ATOM 1207 CB ASN A 79 16.343 -0.195 -1.971 1.00 0.59 C ATOM 1208 CG ASN A 79 17.083 1.038 -2.493 1.00 1.08 C ATOM 1209 OD1 ASN A 79 16.522 2.114 -2.558 1.00 1.95 O ATOM 1210 ND2 ASN A 79 18.327 0.927 -2.870 1.00 1.77 N ATOM 0 H ASN A 79 15.509 -3.185 -2.618 1.00 0.37 H new ATOM 0 HA ASN A 79 15.938 -0.733 -4.021 1.00 0.43 H new ATOM 0 HB2 ASN A 79 15.353 0.087 -1.612 1.00 0.59 H new ATOM 0 HB3 ASN A 79 16.879 -0.623 -1.124 1.00 0.59 H new ATOM 0 HD21 ASN A 79 18.829 1.743 -3.219 1.00 1.77 H new ATOM 0 HD22 ASN A 79 18.798 0.024 -2.815 1.00 1.77 H new ATOM 1217 N GLU A 80 17.847 -2.370 -4.485 1.00 0.78 N ATOM 1218 CA GLU A 80 19.145 -3.051 -4.762 1.00 0.88 C ATOM 1219 C GLU A 80 19.235 -4.371 -3.979 1.00 0.95 C ATOM 1220 O GLU A 80 18.955 -5.427 -4.510 1.00 1.64 O ATOM 1221 CB GLU A 80 20.299 -2.119 -4.381 1.00 1.06 C ATOM 1222 CG GLU A 80 21.518 -2.434 -5.250 1.00 1.76 C ATOM 1223 CD GLU A 80 22.424 -1.204 -5.323 1.00 2.23 C ATOM 1224 OE1 GLU A 80 22.041 -0.248 -5.977 1.00 2.72 O ATOM 1225 OE2 GLU A 80 23.485 -1.239 -4.722 1.00 2.78 O ATOM 0 H GLU A 80 17.225 -2.287 -5.290 1.00 0.78 H new ATOM 0 HA GLU A 80 19.210 -3.284 -5.825 1.00 0.88 H new ATOM 0 HB2 GLU A 80 20.001 -1.079 -4.517 1.00 1.06 H new ATOM 0 HB3 GLU A 80 20.548 -2.244 -3.327 1.00 1.06 H new ATOM 0 HG2 GLU A 80 22.067 -3.279 -4.833 1.00 1.76 H new ATOM 0 HG3 GLU A 80 21.199 -2.724 -6.251 1.00 1.76 H new ATOM 1232 N LEU A 81 19.624 -4.333 -2.730 1.00 0.86 N ATOM 1233 CA LEU A 81 19.725 -5.599 -1.950 1.00 1.24 C ATOM 1234 C LEU A 81 18.829 -5.514 -0.715 1.00 1.07 C ATOM 1235 O LEU A 81 18.591 -6.495 -0.039 1.00 1.63 O ATOM 1236 CB LEU A 81 21.176 -5.817 -1.516 1.00 1.68 C ATOM 1237 CG LEU A 81 22.056 -6.009 -2.752 1.00 2.07 C ATOM 1238 CD1 LEU A 81 23.019 -4.828 -2.882 1.00 2.69 C ATOM 1239 CD2 LEU A 81 22.857 -7.306 -2.610 1.00 2.72 C ATOM 0 H LEU A 81 19.874 -3.485 -2.221 1.00 0.86 H new ATOM 0 HA LEU A 81 19.403 -6.434 -2.572 1.00 1.24 H new ATOM 0 HB2 LEU A 81 21.526 -4.962 -0.937 1.00 1.68 H new ATOM 0 HB3 LEU A 81 21.245 -6.691 -0.868 1.00 1.68 H new ATOM 0 HG LEU A 81 21.427 -6.064 -3.641 1.00 2.07 H new ATOM 0 HD11 LEU A 81 23.646 -4.965 -3.763 1.00 2.69 H new ATOM 0 HD12 LEU A 81 22.450 -3.904 -2.982 1.00 2.69 H new ATOM 0 HD13 LEU A 81 23.648 -4.772 -1.994 1.00 2.69 H new ATOM 0 HD21 LEU A 81 23.485 -7.444 -3.490 1.00 2.72 H new ATOM 0 HD22 LEU A 81 23.486 -7.250 -1.721 1.00 2.72 H new ATOM 0 HD23 LEU A 81 22.172 -8.149 -2.517 1.00 2.72 H new ATOM 1251 N GLY A 82 18.324 -4.352 -0.421 1.00 0.57 N ATOM 1252 CA GLY A 82 17.436 -4.203 0.765 1.00 0.54 C ATOM 1253 C GLY A 82 15.988 -4.423 0.332 1.00 0.45 C ATOM 1254 O GLY A 82 15.556 -3.924 -0.688 1.00 0.67 O ATOM 0 H GLY A 82 18.487 -3.496 -0.951 1.00 0.57 H new ATOM 0 HA2 GLY A 82 17.712 -4.923 1.535 1.00 0.54 H new ATOM 0 HA3 GLY A 82 17.552 -3.210 1.200 1.00 0.54 H new ATOM 1258 N GLU A 83 15.231 -5.169 1.088 1.00 0.42 N ATOM 1259 CA GLU A 83 13.817 -5.412 0.694 1.00 0.46 C ATOM 1260 C GLU A 83 12.911 -5.368 1.924 1.00 0.38 C ATOM 1261 O GLU A 83 13.240 -5.877 2.977 1.00 0.49 O ATOM 1262 CB GLU A 83 13.699 -6.784 0.029 1.00 0.72 C ATOM 1263 CG GLU A 83 14.448 -7.824 0.865 1.00 1.15 C ATOM 1264 CD GLU A 83 14.239 -9.213 0.258 1.00 1.59 C ATOM 1265 OE1 GLU A 83 13.511 -9.309 -0.717 1.00 2.11 O ATOM 1266 OE2 GLU A 83 14.810 -10.157 0.778 1.00 2.24 O ATOM 0 H GLU A 83 15.528 -5.617 1.955 1.00 0.42 H new ATOM 0 HA GLU A 83 13.508 -4.635 -0.005 1.00 0.46 H new ATOM 0 HB2 GLU A 83 12.650 -7.065 -0.065 1.00 0.72 H new ATOM 0 HB3 GLU A 83 14.111 -6.748 -0.979 1.00 0.72 H new ATOM 0 HG2 GLU A 83 15.511 -7.585 0.895 1.00 1.15 H new ATOM 0 HG3 GLU A 83 14.088 -7.807 1.894 1.00 1.15 H new ATOM 1273 N ASP A 84 11.763 -4.769 1.784 1.00 0.38 N ATOM 1274 CA ASP A 84 10.807 -4.689 2.921 1.00 0.35 C ATOM 1275 C ASP A 84 9.386 -4.842 2.374 1.00 0.34 C ATOM 1276 O ASP A 84 9.156 -4.730 1.184 1.00 0.43 O ATOM 1277 CB ASP A 84 10.957 -3.339 3.625 1.00 0.38 C ATOM 1278 CG ASP A 84 11.263 -3.575 5.106 1.00 0.88 C ATOM 1279 OD1 ASP A 84 10.523 -4.316 5.732 1.00 1.56 O ATOM 1280 OD2 ASP A 84 12.233 -3.015 5.587 1.00 1.63 O ATOM 0 H ASP A 84 11.443 -4.327 0.922 1.00 0.38 H new ATOM 0 HA ASP A 84 11.011 -5.482 3.641 1.00 0.35 H new ATOM 0 HB2 ASP A 84 11.758 -2.762 3.163 1.00 0.38 H new ATOM 0 HB3 ASP A 84 10.042 -2.756 3.519 1.00 0.38 H new ATOM 1285 N GLU A 85 8.430 -5.111 3.219 1.00 0.30 N ATOM 1286 CA GLU A 85 7.039 -5.287 2.718 1.00 0.33 C ATOM 1287 C GLU A 85 6.038 -5.015 3.840 1.00 0.33 C ATOM 1288 O GLU A 85 6.294 -5.276 4.999 1.00 0.46 O ATOM 1289 CB GLU A 85 6.869 -6.727 2.216 1.00 0.40 C ATOM 1290 CG GLU A 85 5.382 -7.059 2.057 1.00 1.40 C ATOM 1291 CD GLU A 85 5.222 -8.554 1.771 1.00 1.74 C ATOM 1292 OE1 GLU A 85 6.104 -9.114 1.141 1.00 2.13 O ATOM 1293 OE2 GLU A 85 4.222 -9.113 2.190 1.00 2.36 O ATOM 0 H GLU A 85 8.550 -5.216 4.226 1.00 0.30 H new ATOM 0 HA GLU A 85 6.855 -4.585 1.905 1.00 0.33 H new ATOM 0 HB2 GLU A 85 7.381 -6.850 1.262 1.00 0.40 H new ATOM 0 HB3 GLU A 85 7.331 -7.422 2.917 1.00 0.40 H new ATOM 0 HG2 GLU A 85 4.839 -6.791 2.964 1.00 1.40 H new ATOM 0 HG3 GLU A 85 4.953 -6.474 1.244 1.00 1.40 H new ATOM 1300 N ALA A 86 4.891 -4.505 3.492 1.00 0.31 N ATOM 1301 CA ALA A 86 3.850 -4.224 4.513 1.00 0.35 C ATOM 1302 C ALA A 86 2.517 -4.796 4.026 1.00 0.31 C ATOM 1303 O ALA A 86 2.117 -4.592 2.893 1.00 0.41 O ATOM 1304 CB ALA A 86 3.722 -2.714 4.715 1.00 0.42 C ATOM 0 H ALA A 86 4.630 -4.269 2.535 1.00 0.31 H new ATOM 0 HA ALA A 86 4.126 -4.685 5.461 1.00 0.35 H new ATOM 0 HB1 ALA A 86 2.957 -2.511 5.465 1.00 0.42 H new ATOM 0 HB2 ALA A 86 4.677 -2.310 5.051 1.00 0.42 H new ATOM 0 HB3 ALA A 86 3.441 -2.243 3.773 1.00 0.42 H new ATOM 1310 N ILE A 87 1.831 -5.517 4.867 1.00 0.33 N ATOM 1311 CA ILE A 87 0.530 -6.109 4.453 1.00 0.30 C ATOM 1312 C ILE A 87 -0.608 -5.181 4.878 1.00 0.30 C ATOM 1313 O ILE A 87 -0.674 -4.736 6.007 1.00 0.47 O ATOM 1314 CB ILE A 87 0.365 -7.479 5.117 1.00 0.36 C ATOM 1315 CG1 ILE A 87 -0.893 -8.172 4.573 1.00 1.00 C ATOM 1316 CG2 ILE A 87 0.251 -7.308 6.633 1.00 1.09 C ATOM 1317 CD1 ILE A 87 -2.154 -7.492 5.118 1.00 1.72 C ATOM 0 H ILE A 87 2.116 -5.722 5.825 1.00 0.33 H new ATOM 0 HA ILE A 87 0.506 -6.230 3.370 1.00 0.30 H new ATOM 0 HB ILE A 87 1.236 -8.094 4.892 1.00 0.36 H new ATOM 0 HG12 ILE A 87 -0.894 -8.135 3.484 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.888 -9.224 4.857 1.00 1.00 H new ATOM 0 HG21 ILE A 87 0.134 -8.285 7.102 1.00 1.09 H new ATOM 0 HG22 ILE A 87 1.153 -6.829 7.014 1.00 1.09 H new ATOM 0 HG23 ILE A 87 -0.615 -6.688 6.865 1.00 1.09 H new ATOM 0 HD11 ILE A 87 -3.037 -7.994 4.724 1.00 1.72 H new ATOM 0 HD12 ILE A 87 -2.158 -7.552 6.206 1.00 1.72 H new ATOM 0 HD13 ILE A 87 -2.164 -6.446 4.812 1.00 1.72 H new ATOM 1329 N PHE A 88 -1.508 -4.887 3.980 1.00 0.24 N ATOM 1330 CA PHE A 88 -2.645 -3.989 4.328 1.00 0.26 C ATOM 1331 C PHE A 88 -3.961 -4.639 3.898 1.00 0.28 C ATOM 1332 O PHE A 88 -4.366 -4.542 2.759 1.00 0.30 O ATOM 1333 CB PHE A 88 -2.494 -2.650 3.599 1.00 0.31 C ATOM 1334 CG PHE A 88 -1.098 -2.108 3.794 1.00 0.30 C ATOM 1335 CD1 PHE A 88 -0.034 -2.626 3.046 1.00 1.13 C ATOM 1336 CD2 PHE A 88 -0.870 -1.080 4.716 1.00 1.04 C ATOM 1337 CE1 PHE A 88 1.258 -2.116 3.223 1.00 1.18 C ATOM 1338 CE2 PHE A 88 0.421 -0.570 4.892 1.00 1.04 C ATOM 1339 CZ PHE A 88 1.485 -1.088 4.145 1.00 0.42 C ATOM 0 H PHE A 88 -1.505 -5.230 3.020 1.00 0.24 H new ATOM 0 HA PHE A 88 -2.646 -3.822 5.405 1.00 0.26 H new ATOM 0 HB2 PHE A 88 -2.697 -2.781 2.536 1.00 0.31 H new ATOM 0 HB3 PHE A 88 -3.226 -1.936 3.977 1.00 0.31 H new ATOM 0 HD1 PHE A 88 -0.210 -3.418 2.333 1.00 1.13 H new ATOM 0 HD2 PHE A 88 -1.691 -0.680 5.292 1.00 1.04 H new ATOM 0 HE1 PHE A 88 2.080 -2.516 2.648 1.00 1.18 H new ATOM 0 HE2 PHE A 88 0.596 0.223 5.604 1.00 1.04 H new ATOM 0 HZ PHE A 88 2.482 -0.694 4.280 1.00 0.42 H new ATOM 1349 N GLU A 89 -4.646 -5.279 4.802 1.00 0.31 N ATOM 1350 CA GLU A 89 -5.944 -5.909 4.434 1.00 0.34 C ATOM 1351 C GLU A 89 -6.998 -4.808 4.387 1.00 0.34 C ATOM 1352 O GLU A 89 -7.394 -4.276 5.403 1.00 0.46 O ATOM 1353 CB GLU A 89 -6.332 -6.948 5.490 1.00 0.39 C ATOM 1354 CG GLU A 89 -6.651 -8.279 4.807 1.00 1.01 C ATOM 1355 CD GLU A 89 -6.943 -9.340 5.869 1.00 1.33 C ATOM 1356 OE1 GLU A 89 -6.279 -9.324 6.892 1.00 1.92 O ATOM 1357 OE2 GLU A 89 -7.826 -10.150 5.641 1.00 1.95 O ATOM 0 H GLU A 89 -4.365 -5.393 5.776 1.00 0.31 H new ATOM 0 HA GLU A 89 -5.866 -6.407 3.467 1.00 0.34 H new ATOM 0 HB2 GLU A 89 -5.517 -7.079 6.202 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -7.197 -6.601 6.055 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -7.510 -8.164 4.146 1.00 1.01 H new ATOM 0 HG3 GLU A 89 -5.811 -8.592 4.186 1.00 1.01 H new ATOM 1364 N VAL A 90 -7.432 -4.434 3.216 1.00 0.29 N ATOM 1365 CA VAL A 90 -8.429 -3.337 3.122 1.00 0.29 C ATOM 1366 C VAL A 90 -9.827 -3.899 2.886 1.00 0.29 C ATOM 1367 O VAL A 90 -10.058 -4.659 1.968 1.00 0.41 O ATOM 1368 CB VAL A 90 -8.042 -2.422 1.964 1.00 0.31 C ATOM 1369 CG1 VAL A 90 -8.844 -1.125 2.046 1.00 0.36 C ATOM 1370 CG2 VAL A 90 -6.548 -2.103 2.053 1.00 0.40 C ATOM 0 H VAL A 90 -7.141 -4.839 2.326 1.00 0.29 H new ATOM 0 HA VAL A 90 -8.438 -2.779 4.058 1.00 0.29 H new ATOM 0 HB VAL A 90 -8.256 -2.920 1.018 1.00 0.31 H new ATOM 0 HG11 VAL A 90 -8.566 -0.473 1.218 1.00 0.36 H new ATOM 0 HG12 VAL A 90 -9.909 -1.351 1.988 1.00 0.36 H new ATOM 0 HG13 VAL A 90 -8.630 -0.624 2.990 1.00 0.36 H new ATOM 0 HG21 VAL A 90 -6.266 -1.449 1.228 1.00 0.40 H new ATOM 0 HG22 VAL A 90 -6.338 -1.604 2.999 1.00 0.40 H new ATOM 0 HG23 VAL A 90 -5.974 -3.028 1.996 1.00 0.40 H new ATOM 1380 N ILE A 91 -10.768 -3.515 3.703 1.00 0.24 N ATOM 1381 CA ILE A 91 -12.157 -4.009 3.518 1.00 0.26 C ATOM 1382 C ILE A 91 -13.092 -2.813 3.342 1.00 0.24 C ATOM 1383 O ILE A 91 -12.731 -1.684 3.615 1.00 0.27 O ATOM 1384 CB ILE A 91 -12.594 -4.814 4.738 1.00 0.33 C ATOM 1385 CG1 ILE A 91 -11.827 -6.138 4.779 1.00 0.92 C ATOM 1386 CG2 ILE A 91 -14.093 -5.095 4.633 1.00 0.95 C ATOM 1387 CD1 ILE A 91 -11.144 -6.290 6.140 1.00 1.59 C ATOM 0 H ILE A 91 -10.633 -2.880 4.490 1.00 0.24 H new ATOM 0 HA ILE A 91 -12.197 -4.649 2.637 1.00 0.26 H new ATOM 0 HB ILE A 91 -12.385 -4.251 5.648 1.00 0.33 H new ATOM 0 HG12 ILE A 91 -12.509 -6.971 4.607 1.00 0.92 H new ATOM 0 HG13 ILE A 91 -11.084 -6.165 3.982 1.00 0.92 H new ATOM 0 HG21 ILE A 91 -14.417 -5.670 5.500 1.00 0.95 H new ATOM 0 HG22 ILE A 91 -14.638 -4.152 4.599 1.00 0.95 H new ATOM 0 HG23 ILE A 91 -14.294 -5.663 3.725 1.00 0.95 H new ATOM 0 HD11 ILE A 91 -10.598 -7.233 6.170 1.00 1.59 H new ATOM 0 HD12 ILE A 91 -10.450 -5.463 6.293 1.00 1.59 H new ATOM 0 HD13 ILE A 91 -11.897 -6.282 6.928 1.00 1.59 H new ATOM 1399 N VAL A 92 -14.289 -3.046 2.880 1.00 0.29 N ATOM 1400 CA VAL A 92 -15.235 -1.919 2.678 1.00 0.31 C ATOM 1401 C VAL A 92 -16.589 -2.252 3.305 1.00 0.41 C ATOM 1402 O VAL A 92 -17.039 -3.380 3.274 1.00 0.57 O ATOM 1403 CB VAL A 92 -15.400 -1.685 1.182 1.00 0.35 C ATOM 1404 CG1 VAL A 92 -15.988 -0.295 0.934 1.00 0.35 C ATOM 1405 CG2 VAL A 92 -14.027 -1.787 0.523 1.00 0.43 C ATOM 0 H VAL A 92 -14.651 -3.968 2.635 1.00 0.29 H new ATOM 0 HA VAL A 92 -14.845 -1.020 3.155 1.00 0.31 H new ATOM 0 HB VAL A 92 -16.075 -2.430 0.762 1.00 0.35 H new ATOM 0 HG11 VAL A 92 -16.103 -0.135 -0.138 1.00 0.35 H new ATOM 0 HG12 VAL A 92 -16.961 -0.220 1.419 1.00 0.35 H new ATOM 0 HG13 VAL A 92 -15.319 0.462 1.344 1.00 0.35 H new ATOM 0 HG21 VAL A 92 -14.125 -1.622 -0.550 1.00 0.43 H new ATOM 0 HG22 VAL A 92 -13.363 -1.033 0.947 1.00 0.43 H new ATOM 0 HG23 VAL A 92 -13.611 -2.779 0.701 1.00 0.43 H new ATOM 1415 N GLN A 93 -17.241 -1.277 3.876 1.00 0.40 N ATOM 1416 CA GLN A 93 -18.566 -1.534 4.507 1.00 0.53 C ATOM 1417 C GLN A 93 -19.584 -0.516 3.988 1.00 0.50 C ATOM 1418 O GLN A 93 -20.610 -0.939 3.480 1.00 1.02 O ATOM 1419 CB GLN A 93 -18.441 -1.401 6.026 1.00 0.82 C ATOM 1420 CG GLN A 93 -18.383 -2.793 6.658 1.00 1.57 C ATOM 1421 CD GLN A 93 -18.359 -2.660 8.182 1.00 1.97 C ATOM 1422 OE1 GLN A 93 -17.412 -2.148 8.744 1.00 2.62 O ATOM 1423 NE2 GLN A 93 -19.370 -3.103 8.879 1.00 2.39 N ATOM 1424 OXT GLN A 93 -19.321 0.669 4.109 1.00 0.94 O ATOM 0 H GLN A 93 -16.913 -0.313 3.933 1.00 0.40 H new ATOM 0 HA GLN A 93 -18.899 -2.541 4.256 1.00 0.53 H new ATOM 0 HB2 GLN A 93 -17.543 -0.837 6.280 1.00 0.82 H new ATOM 0 HB3 GLN A 93 -19.290 -0.845 6.424 1.00 0.82 H new ATOM 0 HG2 GLN A 93 -19.246 -3.382 6.347 1.00 1.57 H new ATOM 0 HG3 GLN A 93 -17.495 -3.323 6.314 1.00 1.57 H new ATOM 0 HE21 GLN A 93 -20.165 -3.533 8.407 1.00 2.39 H new ATOM 0 HE22 GLN A 93 -19.364 -3.019 9.896 1.00 2.39 H new TER 1433 GLN A 93 END