USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) HEADER TRANSCRIPTION REGULATION 05-FEB-96 1NMG TITLE MAJOR COLD-SHOCK PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MAJOR COLD-SHOCK PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CSPB; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS COLD SHOCK PROTEIN, TRANSCRIPTION REGULATION EXPDTA SOLUTION NMR AUTHOR A.SCHNUCHEL,T.A.HOLAK REVDAT 2 24-FEB-09 1NMG 1 VERSN REVDAT 1 11-JUL-96 1NMG 0 JRNL AUTH A.SCHNUCHEL,R.WILTSCHECK,M.CZISCH,M.HERRLER, JRNL AUTH 2 G.WILLIMSKY,P.GRAUMANN,M.A.MARAHIEL,T.A.HOLAK JRNL TITL STRUCTURE IN SOLUTION OF THE MAJOR COLD-SHOCK JRNL TITL 2 PROTEIN FROM BACILLUS SUBTILIS. JRNL REF NATURE V. 364 169 1993 JRNL REFN ISSN 0028-0836 JRNL PMID 8321289 JRNL DOI 10.1038/364169A0 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH G.WILLIMSKY,H.BANG,G.FISCHER,M.A.MARAHIEL REMARK 1 TITL CHARACTERIZATION OF CSPB, A BACILLUS SUBTILIS REMARK 1 TITL 2 INDUCIBLE COLD SHOCK GENE AFFECTING CELL VIABILITY REMARK 1 TITL 3 AT LOW TEMPERATURES REMARK 1 REF J.BACTERIOL. V. 174 6326 1992 REMARK 1 REFN ISSN 0021-9193 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NMG 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 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 TRP A 8 148.76 177.45 REMARK 500 PHE A 15 159.90 178.17 REMARK 500 ASP A 24 -166.95 -100.59 REMARK 500 PHE A 30 22.62 -72.18 REMARK 500 GLN A 34 -167.46 -67.47 REMARK 500 ALA A 61 -43.72 -134.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NMF RELATED DB: PDB DBREF 1NMG A 1 67 UNP P32081 CSPB_BACSU 1 67 SEQRES 1 A 67 MET LEU GLU GLY LYS VAL LYS TRP PHE ASN SER GLU LYS SEQRES 2 A 67 GLY PHE GLY PHE ILE GLU VAL GLU GLY GLN ASP ASP VAL SEQRES 3 A 67 PHE VAL HIS PHE SER ALA ILE GLN GLY GLU GLY PHE LYS SEQRES 4 A 67 THR LEU GLU GLU GLY GLN ALA VAL SER PHE GLU ILE VAL SEQRES 5 A 67 GLU GLY ASN ARG GLY PRO GLN ALA ALA ASN VAL THR LYS SEQRES 6 A 67 GLU ALA SHEET 1 B1 5 ASP A 24 HIS A 29 0 SHEET 2 B1 5 PHE A 15 GLU A 19 -1 SHEET 3 B1 5 TRP A 8 ASN A 10 -1 SHEET 4 B1 5 ALA A 46 GLY A 54 -1 SHEET 5 B1 5 VAL A 63 LYS A 65 -1 SHEET 1 B2 5 ASP A 24 HIS A 29 0 SHEET 2 B2 5 PHE A 15 GLU A 19 -1 SHEET 3 B2 5 LEU A 2 VAL A 6 -1 SHEET 4 B2 5 ALA A 46 GLY A 54 -1 SHEET 5 B2 5 GLY A 57 ALA A 61 -1 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0378 (180deg=-0.0378) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.303 K(o=-0.3,f=-3.1!) USER MOD Single : A 11 SER OG : rot 180:sc=-0.00104 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.132 K(o=-0.13,f=-1) USER MOD Single : A 29 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2! C(o=-2!,f=-5.4!) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= -0.205 (180deg=-1.27!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 45 GLN : amide:sc= -5.25! C(o=-5.3!,f=-4.5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.97) USER MOD Single : A 62 ASN : amide:sc=-0.00244 X(o=-0.0024,f=-0.5) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 65 LYS NZ :NH3+ 141:sc= -0.892 (180deg=-3.07!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.688 7.906 6.348 1.00 0.95 N ATOM 2 CA MET A 1 -8.205 7.903 6.510 1.00 0.48 C ATOM 3 C MET A 1 -7.805 6.830 7.532 1.00 0.42 C ATOM 4 O MET A 1 -8.169 6.900 8.694 1.00 0.61 O ATOM 5 CB MET A 1 -7.738 9.285 6.993 1.00 0.99 C ATOM 6 CG MET A 1 -6.581 9.773 6.118 1.00 1.39 C ATOM 7 SD MET A 1 -7.005 11.381 5.397 1.00 2.37 S ATOM 8 CE MET A 1 -5.365 12.143 5.526 1.00 2.78 C ATOM 0 H1 MET A 1 -9.960 8.633 5.656 1.00 0.95 H new ATOM 0 H2 MET A 1 -10.002 6.973 6.012 1.00 0.95 H new ATOM 0 H3 MET A 1 -10.137 8.114 7.263 1.00 0.95 H new ATOM 0 HA MET A 1 -7.733 7.681 5.553 1.00 0.48 H new ATOM 0 HB2 MET A 1 -8.564 9.995 6.949 1.00 0.99 H new ATOM 0 HB3 MET A 1 -7.421 9.229 8.034 1.00 0.99 H new ATOM 0 HG2 MET A 1 -5.672 9.858 6.713 1.00 1.39 H new ATOM 0 HG3 MET A 1 -6.379 9.050 5.328 1.00 1.39 H new ATOM 0 HE1 MET A 1 -5.403 13.158 5.130 1.00 2.78 H new ATOM 0 HE2 MET A 1 -5.059 12.173 6.572 1.00 2.78 H new ATOM 0 HE3 MET A 1 -4.646 11.557 4.954 1.00 2.78 H new ATOM 20 N LEU A 2 -7.054 5.842 7.101 1.00 0.23 N ATOM 21 CA LEU A 2 -6.613 4.752 8.036 1.00 0.21 C ATOM 22 C LEU A 2 -5.153 4.346 7.734 1.00 0.18 C ATOM 23 O LEU A 2 -4.523 4.884 6.834 1.00 0.18 O ATOM 24 CB LEU A 2 -7.607 3.555 7.955 1.00 0.31 C ATOM 25 CG LEU A 2 -7.347 2.567 6.786 1.00 0.25 C ATOM 26 CD1 LEU A 2 -6.455 3.161 5.700 1.00 0.64 C ATOM 27 CD2 LEU A 2 -6.699 1.289 7.323 1.00 0.44 C ATOM 0 H LEU A 2 -6.726 5.742 6.140 1.00 0.23 H new ATOM 0 HA LEU A 2 -6.629 5.113 9.064 1.00 0.21 H new ATOM 0 HB2 LEU A 2 -7.565 3.003 8.894 1.00 0.31 H new ATOM 0 HB3 LEU A 2 -8.619 3.948 7.861 1.00 0.31 H new ATOM 0 HG LEU A 2 -8.315 2.348 6.335 1.00 0.25 H new ATOM 0 HD11 LEU A 2 -6.307 2.426 4.908 1.00 0.64 H new ATOM 0 HD12 LEU A 2 -6.930 4.050 5.286 1.00 0.64 H new ATOM 0 HD13 LEU A 2 -5.490 3.431 6.129 1.00 0.64 H new ATOM 0 HD21 LEU A 2 -6.518 0.599 6.499 1.00 0.44 H new ATOM 0 HD22 LEU A 2 -5.752 1.535 7.804 1.00 0.44 H new ATOM 0 HD23 LEU A 2 -7.364 0.821 8.049 1.00 0.44 H new ATOM 39 N GLU A 3 -4.602 3.426 8.495 1.00 0.21 N ATOM 40 CA GLU A 3 -3.181 3.009 8.275 1.00 0.21 C ATOM 41 C GLU A 3 -3.113 1.554 7.801 1.00 0.27 C ATOM 42 O GLU A 3 -3.901 0.716 8.199 1.00 0.46 O ATOM 43 CB GLU A 3 -2.418 3.145 9.593 1.00 0.31 C ATOM 44 CG GLU A 3 -0.970 3.569 9.325 1.00 0.38 C ATOM 45 CD GLU A 3 -0.009 2.558 9.961 1.00 1.13 C ATOM 46 OE1 GLU A 3 0.013 1.424 9.510 1.00 2.04 O ATOM 47 OE2 GLU A 3 0.688 2.934 10.888 1.00 1.49 O ATOM 0 H GLU A 3 -5.078 2.947 9.259 1.00 0.21 H new ATOM 0 HA GLU A 3 -2.737 3.646 7.510 1.00 0.21 H new ATOM 0 HB2 GLU A 3 -2.908 3.881 10.231 1.00 0.31 H new ATOM 0 HB3 GLU A 3 -2.433 2.197 10.130 1.00 0.31 H new ATOM 0 HG2 GLU A 3 -0.791 3.629 8.251 1.00 0.38 H new ATOM 0 HG3 GLU A 3 -0.790 4.563 9.734 1.00 0.38 H new ATOM 54 N GLY A 4 -2.158 1.262 6.958 1.00 0.31 N ATOM 55 CA GLY A 4 -1.987 -0.128 6.430 1.00 0.37 C ATOM 56 C GLY A 4 -0.570 -0.628 6.732 1.00 0.28 C ATOM 57 O GLY A 4 0.315 0.151 7.038 1.00 0.31 O ATOM 0 H GLY A 4 -1.478 1.936 6.607 1.00 0.31 H new ATOM 0 HA2 GLY A 4 -2.722 -0.792 6.885 1.00 0.37 H new ATOM 0 HA3 GLY A 4 -2.166 -0.143 5.355 1.00 0.37 H new ATOM 61 N LYS A 5 -0.343 -1.920 6.639 1.00 0.23 N ATOM 62 CA LYS A 5 1.027 -2.463 6.916 1.00 0.25 C ATOM 63 C LYS A 5 1.383 -3.517 5.863 1.00 0.20 C ATOM 64 O LYS A 5 0.658 -4.476 5.664 1.00 0.20 O ATOM 65 CB LYS A 5 1.074 -3.111 8.305 1.00 0.40 C ATOM 66 CG LYS A 5 0.625 -2.113 9.377 1.00 1.33 C ATOM 67 CD LYS A 5 0.984 -2.664 10.763 1.00 1.66 C ATOM 68 CE LYS A 5 0.432 -1.742 11.851 1.00 2.00 C ATOM 69 NZ LYS A 5 0.935 -2.190 13.184 1.00 2.62 N ATOM 0 H LYS A 5 -1.043 -2.617 6.385 1.00 0.23 H new ATOM 0 HA LYS A 5 1.742 -1.641 6.879 1.00 0.25 H new ATOM 0 HB2 LYS A 5 0.430 -3.990 8.325 1.00 0.40 H new ATOM 0 HB3 LYS A 5 2.086 -3.453 8.519 1.00 0.40 H new ATOM 0 HG2 LYS A 5 1.109 -1.149 9.219 1.00 1.33 H new ATOM 0 HG3 LYS A 5 -0.450 -1.945 9.307 1.00 1.33 H new ATOM 0 HD2 LYS A 5 0.574 -3.667 10.882 1.00 1.66 H new ATOM 0 HD3 LYS A 5 2.066 -2.748 10.861 1.00 1.66 H new ATOM 0 HE2 LYS A 5 0.739 -0.713 11.661 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -0.658 -1.757 11.837 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 0.560 -1.564 13.925 1.00 2.62 H new ATOM 0 HZ2 LYS A 5 0.621 -3.165 13.364 1.00 2.62 H new ATOM 0 HZ3 LYS A 5 1.974 -2.154 13.193 1.00 2.62 H new ATOM 83 N VAL A 6 2.494 -3.339 5.187 1.00 0.20 N ATOM 84 CA VAL A 6 2.919 -4.322 4.128 1.00 0.22 C ATOM 85 C VAL A 6 2.810 -5.773 4.566 1.00 0.26 C ATOM 86 O VAL A 6 3.311 -6.185 5.598 1.00 0.36 O ATOM 87 CB VAL A 6 4.387 -4.098 3.700 1.00 0.32 C ATOM 88 CG1 VAL A 6 4.994 -5.398 3.150 1.00 0.40 C ATOM 89 CG2 VAL A 6 4.456 -3.125 2.559 1.00 0.35 C ATOM 0 H VAL A 6 3.130 -2.553 5.321 1.00 0.20 H new ATOM 0 HA VAL A 6 2.231 -4.140 3.303 1.00 0.22 H new ATOM 0 HB VAL A 6 4.920 -3.739 4.581 1.00 0.32 H new ATOM 0 HG11 VAL A 6 6.028 -5.220 2.854 1.00 0.40 H new ATOM 0 HG12 VAL A 6 4.965 -6.168 3.921 1.00 0.40 H new ATOM 0 HG13 VAL A 6 4.421 -5.729 2.284 1.00 0.40 H new ATOM 0 HG21 VAL A 6 5.496 -2.978 2.269 1.00 0.35 H new ATOM 0 HG22 VAL A 6 3.895 -3.518 1.711 1.00 0.35 H new ATOM 0 HG23 VAL A 6 4.027 -2.172 2.867 1.00 0.35 H new ATOM 99 N LYS A 7 2.276 -6.555 3.677 1.00 0.25 N ATOM 100 CA LYS A 7 2.243 -8.022 3.866 1.00 0.33 C ATOM 101 C LYS A 7 3.495 -8.512 3.122 1.00 0.34 C ATOM 102 O LYS A 7 4.155 -9.455 3.518 1.00 0.41 O ATOM 103 CB LYS A 7 0.979 -8.617 3.232 1.00 0.37 C ATOM 104 CG LYS A 7 0.380 -9.673 4.168 1.00 0.52 C ATOM 105 CD LYS A 7 1.009 -11.044 3.882 1.00 0.66 C ATOM 106 CE LYS A 7 -0.076 -12.124 3.911 1.00 1.21 C ATOM 107 NZ LYS A 7 0.551 -13.469 4.088 1.00 1.93 N ATOM 0 H LYS A 7 1.852 -6.229 2.808 1.00 0.25 H new ATOM 0 HA LYS A 7 2.229 -8.314 4.916 1.00 0.33 H new ATOM 0 HB2 LYS A 7 0.250 -7.829 3.043 1.00 0.37 H new ATOM 0 HB3 LYS A 7 1.220 -9.066 2.269 1.00 0.37 H new ATOM 0 HG2 LYS A 7 0.556 -9.392 5.206 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -0.700 -9.723 4.030 1.00 0.52 H new ATOM 0 HD2 LYS A 7 1.500 -11.034 2.909 1.00 0.66 H new ATOM 0 HD3 LYS A 7 1.776 -11.265 4.624 1.00 0.66 H new ATOM 0 HE2 LYS A 7 -0.774 -11.929 4.725 1.00 1.21 H new ATOM 0 HE3 LYS A 7 -0.651 -12.100 2.985 1.00 1.21 H new ATOM 0 HZ1 LYS A 7 -0.191 -14.198 4.107 1.00 1.93 H new ATOM 0 HZ2 LYS A 7 1.200 -13.656 3.297 1.00 1.93 H new ATOM 0 HZ3 LYS A 7 1.080 -13.490 4.983 1.00 1.93 H new ATOM 121 N TRP A 8 3.826 -7.802 2.049 1.00 0.29 N ATOM 122 CA TRP A 8 5.029 -8.078 1.217 1.00 0.33 C ATOM 123 C TRP A 8 4.996 -7.066 0.046 1.00 0.27 C ATOM 124 O TRP A 8 3.926 -6.664 -0.394 1.00 0.21 O ATOM 125 CB TRP A 8 5.003 -9.532 0.687 1.00 0.38 C ATOM 126 CG TRP A 8 3.769 -9.744 -0.129 1.00 0.33 C ATOM 127 CD1 TRP A 8 2.693 -10.475 0.243 1.00 0.37 C ATOM 128 CD2 TRP A 8 3.466 -9.206 -1.440 1.00 0.28 C ATOM 129 NE1 TRP A 8 1.741 -10.403 -0.759 1.00 0.35 N ATOM 130 CE2 TRP A 8 2.174 -9.626 -1.816 1.00 0.29 C ATOM 131 CE3 TRP A 8 4.185 -8.390 -2.326 1.00 0.27 C ATOM 132 CZ2 TRP A 8 1.616 -9.241 -3.032 1.00 0.29 C ATOM 133 CZ3 TRP A 8 3.626 -8.000 -3.537 1.00 0.27 C ATOM 134 CH2 TRP A 8 2.350 -8.418 -3.889 1.00 0.28 C ATOM 0 H TRP A 8 3.275 -7.011 1.716 1.00 0.29 H new ATOM 0 HA TRP A 8 5.943 -7.970 1.800 1.00 0.33 H new ATOM 0 HB2 TRP A 8 5.889 -9.726 0.082 1.00 0.38 H new ATOM 0 HB3 TRP A 8 5.026 -10.234 1.520 1.00 0.38 H new ATOM 0 HD1 TRP A 8 2.594 -11.023 1.168 1.00 0.37 H new ATOM 0 HE1 TRP A 8 0.833 -10.866 -0.722 1.00 0.35 H new ATOM 0 HE3 TRP A 8 5.180 -8.062 -2.065 1.00 0.27 H new ATOM 0 HZ2 TRP A 8 0.627 -9.575 -3.309 1.00 0.29 H new ATOM 0 HZ3 TRP A 8 4.188 -7.368 -4.209 1.00 0.27 H new ATOM 0 HH2 TRP A 8 1.923 -8.105 -4.830 1.00 0.28 H new ATOM 145 N PHE A 9 6.131 -6.642 -0.463 1.00 0.32 N ATOM 146 CA PHE A 9 6.126 -5.675 -1.618 1.00 0.31 C ATOM 147 C PHE A 9 6.846 -6.299 -2.819 1.00 0.35 C ATOM 148 O PHE A 9 7.836 -6.996 -2.678 1.00 0.55 O ATOM 149 CB PHE A 9 6.840 -4.376 -1.247 1.00 0.44 C ATOM 150 CG PHE A 9 6.078 -3.171 -1.764 1.00 0.51 C ATOM 151 CD1 PHE A 9 6.134 -2.838 -3.124 1.00 1.16 C ATOM 152 CD2 PHE A 9 5.329 -2.379 -0.886 1.00 1.32 C ATOM 153 CE1 PHE A 9 5.442 -1.723 -3.606 1.00 1.27 C ATOM 154 CE2 PHE A 9 4.636 -1.264 -1.370 1.00 1.52 C ATOM 155 CZ PHE A 9 4.692 -0.936 -2.730 1.00 1.04 C ATOM 0 H PHE A 9 7.056 -6.919 -0.134 1.00 0.32 H new ATOM 0 HA PHE A 9 5.088 -5.455 -1.868 1.00 0.31 H new ATOM 0 HB2 PHE A 9 6.942 -4.309 -0.164 1.00 0.44 H new ATOM 0 HB3 PHE A 9 7.848 -4.379 -1.662 1.00 0.44 H new ATOM 0 HD1 PHE A 9 6.714 -3.445 -3.803 1.00 1.16 H new ATOM 0 HD2 PHE A 9 5.286 -2.628 0.164 1.00 1.32 H new ATOM 0 HE1 PHE A 9 5.488 -1.471 -4.655 1.00 1.27 H new ATOM 0 HE2 PHE A 9 4.056 -0.655 -0.693 1.00 1.52 H new ATOM 0 HZ PHE A 9 4.156 -0.075 -3.101 1.00 1.04 H new ATOM 165 N ASN A 10 6.352 -6.025 -3.998 1.00 0.24 N ATOM 166 CA ASN A 10 6.972 -6.550 -5.250 1.00 0.28 C ATOM 167 C ASN A 10 7.215 -5.347 -6.170 1.00 0.29 C ATOM 168 O ASN A 10 6.904 -5.364 -7.348 1.00 0.36 O ATOM 169 CB ASN A 10 5.999 -7.545 -5.899 1.00 0.29 C ATOM 170 CG ASN A 10 6.445 -8.992 -5.640 1.00 0.92 C ATOM 171 OD1 ASN A 10 7.566 -9.242 -5.237 1.00 1.72 O ATOM 172 ND2 ASN A 10 5.604 -9.967 -5.862 1.00 1.47 N ATOM 0 H ASN A 10 5.526 -5.446 -4.148 1.00 0.24 H new ATOM 0 HA ASN A 10 7.913 -7.065 -5.056 1.00 0.28 H new ATOM 0 HB2 ASN A 10 4.996 -7.392 -5.501 1.00 0.29 H new ATOM 0 HB3 ASN A 10 5.947 -7.362 -6.972 1.00 0.29 H new ATOM 0 HD21 ASN A 10 5.888 -10.933 -5.698 1.00 1.47 H new ATOM 0 HD22 ASN A 10 4.664 -9.762 -6.200 1.00 1.47 H new ATOM 179 N SER A 11 7.751 -4.290 -5.602 1.00 0.38 N ATOM 180 CA SER A 11 8.022 -3.031 -6.372 1.00 0.47 C ATOM 181 C SER A 11 8.686 -3.375 -7.717 1.00 0.50 C ATOM 182 O SER A 11 8.293 -2.877 -8.757 1.00 0.50 O ATOM 183 CB SER A 11 8.943 -2.114 -5.556 1.00 0.64 C ATOM 184 OG SER A 11 10.104 -2.829 -5.148 1.00 1.07 O ATOM 0 H SER A 11 8.017 -4.247 -4.618 1.00 0.38 H new ATOM 0 HA SER A 11 7.080 -2.516 -6.561 1.00 0.47 H new ATOM 0 HB2 SER A 11 9.230 -1.248 -6.153 1.00 0.64 H new ATOM 0 HB3 SER A 11 8.412 -1.736 -4.682 1.00 0.64 H new ATOM 0 HG SER A 11 10.688 -2.237 -4.629 1.00 1.07 H new ATOM 190 N GLU A 12 9.680 -4.241 -7.694 1.00 0.60 N ATOM 191 CA GLU A 12 10.383 -4.652 -8.955 1.00 0.69 C ATOM 192 C GLU A 12 9.385 -5.309 -9.915 1.00 0.55 C ATOM 193 O GLU A 12 9.360 -5.011 -11.095 1.00 0.55 O ATOM 194 CB GLU A 12 11.486 -5.659 -8.619 1.00 0.89 C ATOM 195 CG GLU A 12 12.528 -4.999 -7.711 1.00 1.18 C ATOM 196 CD GLU A 12 13.875 -4.927 -8.437 1.00 1.46 C ATOM 197 OE1 GLU A 12 14.645 -5.867 -8.314 1.00 1.76 O ATOM 198 OE2 GLU A 12 14.116 -3.931 -9.102 1.00 2.08 O ATOM 0 H GLU A 12 10.035 -4.683 -6.846 1.00 0.60 H new ATOM 0 HA GLU A 12 10.816 -3.769 -9.426 1.00 0.69 H new ATOM 0 HB2 GLU A 12 11.058 -6.530 -8.124 1.00 0.89 H new ATOM 0 HB3 GLU A 12 11.960 -6.013 -9.535 1.00 0.89 H new ATOM 0 HG2 GLU A 12 12.200 -3.997 -7.433 1.00 1.18 H new ATOM 0 HG3 GLU A 12 12.632 -5.568 -6.787 1.00 1.18 H new ATOM 205 N LYS A 13 8.559 -6.196 -9.405 1.00 0.50 N ATOM 206 CA LYS A 13 7.540 -6.887 -10.263 1.00 0.52 C ATOM 207 C LYS A 13 6.426 -5.902 -10.685 1.00 0.45 C ATOM 208 O LYS A 13 5.530 -6.258 -11.431 1.00 0.58 O ATOM 209 CB LYS A 13 6.927 -8.055 -9.480 1.00 0.64 C ATOM 210 CG LYS A 13 7.770 -9.320 -9.683 1.00 0.89 C ATOM 211 CD LYS A 13 8.997 -9.271 -8.767 1.00 0.88 C ATOM 212 CE LYS A 13 9.646 -10.658 -8.679 1.00 1.19 C ATOM 213 NZ LYS A 13 11.120 -10.509 -8.500 1.00 1.51 N ATOM 0 H LYS A 13 8.548 -6.472 -8.423 1.00 0.50 H new ATOM 0 HA LYS A 13 8.030 -7.261 -11.162 1.00 0.52 H new ATOM 0 HB2 LYS A 13 6.877 -7.807 -8.420 1.00 0.64 H new ATOM 0 HB3 LYS A 13 5.905 -8.231 -9.814 1.00 0.64 H new ATOM 0 HG2 LYS A 13 7.174 -10.206 -9.463 1.00 0.89 H new ATOM 0 HG3 LYS A 13 8.083 -9.397 -10.724 1.00 0.89 H new ATOM 0 HD2 LYS A 13 9.717 -8.548 -9.150 1.00 0.88 H new ATOM 0 HD3 LYS A 13 8.705 -8.934 -7.772 1.00 0.88 H new ATOM 0 HE2 LYS A 13 9.223 -11.217 -7.844 1.00 1.19 H new ATOM 0 HE3 LYS A 13 9.435 -11.228 -9.584 1.00 1.19 H new ATOM 0 HZ1 LYS A 13 11.559 -11.450 -8.440 1.00 1.51 H new ATOM 0 HZ2 LYS A 13 11.518 -9.992 -9.310 1.00 1.51 H new ATOM 0 HZ3 LYS A 13 11.312 -9.981 -7.625 1.00 1.51 H new ATOM 227 N GLY A 14 6.495 -4.661 -10.243 1.00 0.37 N ATOM 228 CA GLY A 14 5.476 -3.639 -10.641 1.00 0.49 C ATOM 229 C GLY A 14 4.315 -3.518 -9.631 1.00 0.39 C ATOM 230 O GLY A 14 3.268 -3.012 -9.991 1.00 0.48 O ATOM 0 H GLY A 14 7.223 -4.315 -9.618 1.00 0.37 H new ATOM 0 HA2 GLY A 14 5.963 -2.669 -10.744 1.00 0.49 H new ATOM 0 HA3 GLY A 14 5.073 -3.898 -11.620 1.00 0.49 H new ATOM 234 N PHE A 15 4.464 -3.949 -8.383 1.00 0.34 N ATOM 235 CA PHE A 15 3.315 -3.808 -7.408 1.00 0.34 C ATOM 236 C PHE A 15 3.651 -4.402 -6.021 1.00 0.23 C ATOM 237 O PHE A 15 4.536 -5.215 -5.878 1.00 0.23 O ATOM 238 CB PHE A 15 2.049 -4.490 -7.974 1.00 0.53 C ATOM 239 CG PHE A 15 2.240 -5.991 -8.144 1.00 0.62 C ATOM 240 CD1 PHE A 15 3.319 -6.508 -8.879 1.00 1.43 C ATOM 241 CD2 PHE A 15 1.311 -6.865 -7.573 1.00 1.38 C ATOM 242 CE1 PHE A 15 3.461 -7.894 -9.032 1.00 1.55 C ATOM 243 CE2 PHE A 15 1.455 -8.249 -7.726 1.00 1.51 C ATOM 244 CZ PHE A 15 2.530 -8.763 -8.456 1.00 1.06 C ATOM 0 H PHE A 15 5.309 -4.381 -8.008 1.00 0.34 H new ATOM 0 HA PHE A 15 3.132 -2.741 -7.277 1.00 0.34 H new ATOM 0 HB2 PHE A 15 1.208 -4.305 -7.306 1.00 0.53 H new ATOM 0 HB3 PHE A 15 1.796 -4.045 -8.936 1.00 0.53 H new ATOM 0 HD1 PHE A 15 4.039 -5.838 -9.326 1.00 1.43 H new ATOM 0 HD2 PHE A 15 0.478 -6.471 -7.011 1.00 1.38 H new ATOM 0 HE1 PHE A 15 4.292 -8.291 -9.596 1.00 1.55 H new ATOM 0 HE2 PHE A 15 0.735 -8.919 -7.280 1.00 1.51 H new ATOM 0 HZ PHE A 15 2.641 -9.831 -8.575 1.00 1.06 H new ATOM 254 N GLY A 16 2.924 -3.991 -5.001 1.00 0.26 N ATOM 255 CA GLY A 16 3.157 -4.508 -3.607 1.00 0.22 C ATOM 256 C GLY A 16 1.783 -4.638 -2.902 1.00 0.21 C ATOM 257 O GLY A 16 0.845 -3.953 -3.261 1.00 0.27 O ATOM 0 H GLY A 16 2.169 -3.310 -5.077 1.00 0.26 H new ATOM 0 HA2 GLY A 16 3.660 -5.474 -3.639 1.00 0.22 H new ATOM 0 HA3 GLY A 16 3.805 -3.829 -3.053 1.00 0.22 H new ATOM 261 N PHE A 17 1.635 -5.508 -1.919 1.00 0.18 N ATOM 262 CA PHE A 17 0.318 -5.654 -1.233 1.00 0.20 C ATOM 263 C PHE A 17 0.438 -5.240 0.244 1.00 0.17 C ATOM 264 O PHE A 17 1.385 -5.588 0.932 1.00 0.15 O ATOM 265 CB PHE A 17 -0.125 -7.119 -1.328 1.00 0.24 C ATOM 266 CG PHE A 17 -0.853 -7.386 -2.629 1.00 0.29 C ATOM 267 CD1 PHE A 17 -0.332 -6.951 -3.852 1.00 1.26 C ATOM 268 CD2 PHE A 17 -2.069 -8.082 -2.599 1.00 1.20 C ATOM 269 CE1 PHE A 17 -1.027 -7.213 -5.039 1.00 1.29 C ATOM 270 CE2 PHE A 17 -2.761 -8.342 -3.787 1.00 1.21 C ATOM 271 CZ PHE A 17 -2.240 -7.907 -5.006 1.00 0.41 C ATOM 0 H PHE A 17 2.374 -6.118 -1.569 1.00 0.18 H new ATOM 0 HA PHE A 17 -0.418 -5.009 -1.713 1.00 0.20 H new ATOM 0 HB2 PHE A 17 0.746 -7.771 -1.255 1.00 0.24 H new ATOM 0 HB3 PHE A 17 -0.776 -7.360 -0.488 1.00 0.24 H new ATOM 0 HD1 PHE A 17 0.605 -6.414 -3.881 1.00 1.26 H new ATOM 0 HD2 PHE A 17 -2.473 -8.419 -1.656 1.00 1.20 H new ATOM 0 HE1 PHE A 17 -0.624 -6.878 -5.983 1.00 1.29 H new ATOM 0 HE2 PHE A 17 -3.698 -8.879 -3.760 1.00 1.21 H new ATOM 0 HZ PHE A 17 -2.774 -8.106 -5.924 1.00 0.41 H new ATOM 281 N ILE A 18 -0.549 -4.530 0.730 1.00 0.19 N ATOM 282 CA ILE A 18 -0.571 -4.097 2.166 1.00 0.18 C ATOM 283 C ILE A 18 -1.618 -4.956 2.872 1.00 0.20 C ATOM 284 O ILE A 18 -2.553 -5.414 2.263 1.00 0.30 O ATOM 285 CB ILE A 18 -1.021 -2.615 2.294 1.00 0.21 C ATOM 286 CG1 ILE A 18 0.166 -1.657 2.243 1.00 0.21 C ATOM 287 CG2 ILE A 18 -1.722 -2.389 3.639 1.00 0.23 C ATOM 288 CD1 ILE A 18 -0.239 -0.393 1.482 1.00 0.24 C ATOM 0 H ILE A 18 -1.355 -4.226 0.185 1.00 0.19 H new ATOM 0 HA ILE A 18 0.426 -4.203 2.594 1.00 0.18 H new ATOM 0 HB ILE A 18 -1.692 -2.419 1.457 1.00 0.21 H new ATOM 0 HG12 ILE A 18 0.485 -1.401 3.253 1.00 0.21 H new ATOM 0 HG13 ILE A 18 1.014 -2.135 1.752 1.00 0.21 H new ATOM 0 HG21 ILE A 18 -2.033 -1.347 3.717 1.00 0.23 H new ATOM 0 HG22 ILE A 18 -2.598 -3.035 3.706 1.00 0.23 H new ATOM 0 HG23 ILE A 18 -1.035 -2.624 4.452 1.00 0.23 H new ATOM 0 HD11 ILE A 18 0.606 0.295 1.443 1.00 0.24 H new ATOM 0 HD12 ILE A 18 -0.538 -0.659 0.468 1.00 0.24 H new ATOM 0 HD13 ILE A 18 -1.074 0.087 1.992 1.00 0.24 H new ATOM 300 N GLU A 19 -1.481 -5.151 4.146 1.00 0.17 N ATOM 301 CA GLU A 19 -2.496 -5.943 4.900 1.00 0.16 C ATOM 302 C GLU A 19 -2.949 -5.116 6.106 1.00 0.16 C ATOM 303 O GLU A 19 -2.121 -4.527 6.798 1.00 0.19 O ATOM 304 CB GLU A 19 -1.876 -7.261 5.377 1.00 0.20 C ATOM 305 CG GLU A 19 -2.990 -8.246 5.754 1.00 0.65 C ATOM 306 CD GLU A 19 -2.423 -9.341 6.666 1.00 1.19 C ATOM 307 OE1 GLU A 19 -2.322 -9.099 7.859 1.00 1.78 O ATOM 308 OE2 GLU A 19 -2.101 -10.403 6.156 1.00 1.97 O ATOM 0 H GLU A 19 -0.707 -4.796 4.707 1.00 0.17 H new ATOM 0 HA GLU A 19 -3.348 -6.171 4.259 1.00 0.16 H new ATOM 0 HB2 GLU A 19 -1.251 -7.686 4.592 1.00 0.20 H new ATOM 0 HB3 GLU A 19 -1.230 -7.081 6.236 1.00 0.20 H new ATOM 0 HG2 GLU A 19 -3.799 -7.719 6.261 1.00 0.65 H new ATOM 0 HG3 GLU A 19 -3.415 -8.692 4.855 1.00 0.65 H new ATOM 315 N VAL A 20 -4.246 -5.031 6.366 1.00 0.15 N ATOM 316 CA VAL A 20 -4.680 -4.217 7.551 1.00 0.20 C ATOM 317 C VAL A 20 -5.762 -4.929 8.373 1.00 0.21 C ATOM 318 O VAL A 20 -6.676 -5.548 7.853 1.00 0.21 O ATOM 319 CB VAL A 20 -5.171 -2.838 7.102 1.00 0.24 C ATOM 320 CG1 VAL A 20 -6.475 -2.975 6.321 1.00 0.26 C ATOM 321 CG2 VAL A 20 -5.406 -1.955 8.330 1.00 0.32 C ATOM 0 H VAL A 20 -4.992 -5.473 5.829 1.00 0.15 H new ATOM 0 HA VAL A 20 -3.810 -4.092 8.196 1.00 0.20 H new ATOM 0 HB VAL A 20 -4.416 -2.384 6.461 1.00 0.24 H new ATOM 0 HG11 VAL A 20 -6.816 -1.989 6.006 1.00 0.26 H new ATOM 0 HG12 VAL A 20 -6.309 -3.599 5.443 1.00 0.26 H new ATOM 0 HG13 VAL A 20 -7.232 -3.435 6.955 1.00 0.26 H new ATOM 0 HG21 VAL A 20 -5.756 -0.973 8.011 1.00 0.32 H new ATOM 0 HG22 VAL A 20 -6.157 -2.416 8.972 1.00 0.32 H new ATOM 0 HG23 VAL A 20 -4.473 -1.846 8.883 1.00 0.32 H new ATOM 331 N GLU A 21 -5.640 -4.813 9.674 1.00 0.24 N ATOM 332 CA GLU A 21 -6.616 -5.444 10.619 1.00 0.26 C ATOM 333 C GLU A 21 -7.999 -4.822 10.421 1.00 0.30 C ATOM 334 O GLU A 21 -8.132 -3.622 10.252 1.00 0.33 O ATOM 335 CB GLU A 21 -6.153 -5.213 12.062 1.00 0.31 C ATOM 336 CG GLU A 21 -4.917 -6.070 12.349 1.00 1.32 C ATOM 337 CD GLU A 21 -4.608 -6.047 13.851 1.00 2.10 C ATOM 338 OE1 GLU A 21 -3.868 -5.170 14.270 1.00 2.69 O ATOM 339 OE2 GLU A 21 -5.110 -6.909 14.554 1.00 2.71 O ATOM 0 H GLU A 21 -4.888 -4.296 10.130 1.00 0.24 H new ATOM 0 HA GLU A 21 -6.670 -6.515 10.421 1.00 0.26 H new ATOM 0 HB2 GLU A 21 -5.921 -4.159 12.216 1.00 0.31 H new ATOM 0 HB3 GLU A 21 -6.954 -5.468 12.757 1.00 0.31 H new ATOM 0 HG2 GLU A 21 -5.089 -7.095 12.019 1.00 1.32 H new ATOM 0 HG3 GLU A 21 -4.063 -5.693 11.787 1.00 1.32 H new ATOM 346 N GLY A 22 -9.026 -5.638 10.418 1.00 0.32 N ATOM 347 CA GLY A 22 -10.407 -5.114 10.203 1.00 0.38 C ATOM 348 C GLY A 22 -10.699 -5.056 8.697 1.00 0.37 C ATOM 349 O GLY A 22 -11.843 -4.990 8.286 1.00 0.42 O ATOM 0 H GLY A 22 -8.964 -6.647 10.556 1.00 0.32 H new ATOM 0 HA2 GLY A 22 -11.133 -5.756 10.701 1.00 0.38 H new ATOM 0 HA3 GLY A 22 -10.504 -4.121 10.642 1.00 0.38 H new ATOM 353 N GLN A 23 -9.669 -5.088 7.874 1.00 0.32 N ATOM 354 CA GLN A 23 -9.871 -5.045 6.401 1.00 0.33 C ATOM 355 C GLN A 23 -9.012 -6.136 5.753 1.00 0.29 C ATOM 356 O GLN A 23 -8.423 -6.965 6.426 1.00 0.27 O ATOM 357 CB GLN A 23 -9.459 -3.665 5.873 1.00 0.36 C ATOM 358 CG GLN A 23 -10.702 -2.867 5.460 1.00 0.52 C ATOM 359 CD GLN A 23 -10.595 -1.430 5.991 1.00 1.33 C ATOM 360 OE1 GLN A 23 -9.542 -0.826 5.947 1.00 2.21 O ATOM 361 NE2 GLN A 23 -11.653 -0.849 6.486 1.00 2.08 N ATOM 0 H GLN A 23 -8.695 -5.142 8.172 1.00 0.32 H new ATOM 0 HA GLN A 23 -10.920 -5.218 6.158 1.00 0.33 H new ATOM 0 HB2 GLN A 23 -8.908 -3.123 6.641 1.00 0.36 H new ATOM 0 HB3 GLN A 23 -8.790 -3.778 5.020 1.00 0.36 H new ATOM 0 HG2 GLN A 23 -10.796 -2.858 4.374 1.00 0.52 H new ATOM 0 HG3 GLN A 23 -11.600 -3.344 5.853 1.00 0.52 H new ATOM 0 HE21 GLN A 23 -12.540 -1.352 6.525 1.00 2.08 H new ATOM 0 HE22 GLN A 23 -11.594 0.108 6.834 1.00 2.08 H new ATOM 370 N ASP A 24 -8.955 -6.151 4.453 1.00 0.31 N ATOM 371 CA ASP A 24 -8.158 -7.187 3.736 1.00 0.30 C ATOM 372 C ASP A 24 -6.802 -6.616 3.281 1.00 0.26 C ATOM 373 O ASP A 24 -6.356 -5.556 3.725 1.00 0.22 O ATOM 374 CB ASP A 24 -8.955 -7.664 2.515 1.00 0.38 C ATOM 375 CG ASP A 24 -9.304 -9.148 2.674 1.00 0.93 C ATOM 376 OD1 ASP A 24 -8.494 -9.973 2.282 1.00 1.61 O ATOM 377 OD2 ASP A 24 -10.375 -9.433 3.183 1.00 1.53 O ATOM 0 H ASP A 24 -9.432 -5.483 3.848 1.00 0.31 H new ATOM 0 HA ASP A 24 -7.966 -8.021 4.411 1.00 0.30 H new ATOM 0 HB2 ASP A 24 -9.866 -7.075 2.411 1.00 0.38 H new ATOM 0 HB3 ASP A 24 -8.372 -7.513 1.606 1.00 0.38 H new ATOM 382 N ASP A 25 -6.136 -7.350 2.416 1.00 0.27 N ATOM 383 CA ASP A 25 -4.819 -6.912 1.870 1.00 0.25 C ATOM 384 C ASP A 25 -5.021 -5.761 0.855 1.00 0.27 C ATOM 385 O ASP A 25 -5.469 -5.986 -0.256 1.00 0.46 O ATOM 386 CB ASP A 25 -4.099 -8.098 1.194 1.00 0.29 C ATOM 387 CG ASP A 25 -5.054 -8.867 0.266 1.00 1.37 C ATOM 388 OD1 ASP A 25 -5.809 -9.688 0.768 1.00 2.20 O ATOM 389 OD2 ASP A 25 -5.006 -8.632 -0.931 1.00 2.09 O ATOM 0 H ASP A 25 -6.461 -8.250 2.063 1.00 0.27 H new ATOM 0 HA ASP A 25 -4.201 -6.552 2.692 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -3.247 -7.732 0.622 1.00 0.29 H new ATOM 0 HB3 ASP A 25 -3.706 -8.771 1.956 1.00 0.29 H new ATOM 394 N VAL A 26 -4.672 -4.542 1.208 1.00 0.25 N ATOM 395 CA VAL A 26 -4.814 -3.399 0.243 1.00 0.29 C ATOM 396 C VAL A 26 -3.844 -3.553 -0.930 1.00 0.30 C ATOM 397 O VAL A 26 -2.660 -3.766 -0.750 1.00 0.37 O ATOM 398 CB VAL A 26 -4.531 -2.057 0.949 1.00 0.30 C ATOM 399 CG1 VAL A 26 -4.006 -1.026 -0.057 1.00 0.36 C ATOM 400 CG2 VAL A 26 -5.832 -1.499 1.516 1.00 0.30 C ATOM 0 H VAL A 26 -4.295 -4.290 2.122 1.00 0.25 H new ATOM 0 HA VAL A 26 -5.838 -3.409 -0.131 1.00 0.29 H new ATOM 0 HB VAL A 26 -3.796 -2.235 1.734 1.00 0.30 H new ATOM 0 HG11 VAL A 26 -3.811 -0.084 0.456 1.00 0.36 H new ATOM 0 HG12 VAL A 26 -3.083 -1.393 -0.506 1.00 0.36 H new ATOM 0 HG13 VAL A 26 -4.751 -0.867 -0.837 1.00 0.36 H new ATOM 0 HG21 VAL A 26 -5.634 -0.551 2.015 1.00 0.30 H new ATOM 0 HG22 VAL A 26 -6.544 -1.341 0.706 1.00 0.30 H new ATOM 0 HG23 VAL A 26 -6.249 -2.206 2.233 1.00 0.30 H new ATOM 410 N PHE A 27 -4.343 -3.387 -2.128 1.00 0.27 N ATOM 411 CA PHE A 27 -3.464 -3.451 -3.333 1.00 0.29 C ATOM 412 C PHE A 27 -2.601 -2.189 -3.323 1.00 0.38 C ATOM 413 O PHE A 27 -3.092 -1.110 -3.031 1.00 0.55 O ATOM 414 CB PHE A 27 -4.337 -3.473 -4.596 1.00 0.40 C ATOM 415 CG PHE A 27 -3.504 -3.777 -5.831 1.00 0.43 C ATOM 416 CD1 PHE A 27 -2.232 -4.353 -5.716 1.00 1.36 C ATOM 417 CD2 PHE A 27 -4.015 -3.472 -7.100 1.00 1.22 C ATOM 418 CE1 PHE A 27 -1.476 -4.621 -6.862 1.00 1.40 C ATOM 419 CE2 PHE A 27 -3.258 -3.742 -8.246 1.00 1.22 C ATOM 420 CZ PHE A 27 -1.988 -4.316 -8.127 1.00 0.54 C ATOM 0 H PHE A 27 -5.328 -3.209 -2.324 1.00 0.27 H new ATOM 0 HA PHE A 27 -2.842 -4.346 -3.324 1.00 0.29 H new ATOM 0 HB2 PHE A 27 -5.120 -4.224 -4.488 1.00 0.40 H new ATOM 0 HB3 PHE A 27 -4.833 -2.510 -4.716 1.00 0.40 H new ATOM 0 HD1 PHE A 27 -1.834 -4.591 -4.740 1.00 1.36 H new ATOM 0 HD2 PHE A 27 -4.995 -3.028 -7.194 1.00 1.22 H new ATOM 0 HE1 PHE A 27 -0.495 -5.064 -6.770 1.00 1.40 H new ATOM 0 HE2 PHE A 27 -3.655 -3.507 -9.223 1.00 1.22 H new ATOM 0 HZ PHE A 27 -1.403 -4.523 -9.011 1.00 0.54 H new ATOM 430 N VAL A 28 -1.326 -2.294 -3.606 1.00 0.34 N ATOM 431 CA VAL A 28 -0.475 -1.074 -3.563 1.00 0.49 C ATOM 432 C VAL A 28 0.511 -1.054 -4.735 1.00 0.35 C ATOM 433 O VAL A 28 0.987 -2.076 -5.196 1.00 0.45 O ATOM 434 CB VAL A 28 0.277 -1.007 -2.206 1.00 0.72 C ATOM 435 CG1 VAL A 28 -0.331 -1.995 -1.203 1.00 1.43 C ATOM 436 CG2 VAL A 28 1.766 -1.340 -2.383 1.00 0.97 C ATOM 0 H VAL A 28 -0.847 -3.158 -3.860 1.00 0.34 H new ATOM 0 HA VAL A 28 -1.114 -0.196 -3.655 1.00 0.49 H new ATOM 0 HB VAL A 28 0.177 0.011 -1.829 1.00 0.72 H new ATOM 0 HG11 VAL A 28 0.209 -1.933 -0.258 1.00 1.43 H new ATOM 0 HG12 VAL A 28 -1.380 -1.747 -1.038 1.00 1.43 H new ATOM 0 HG13 VAL A 28 -0.256 -3.008 -1.599 1.00 1.43 H new ATOM 0 HG21 VAL A 28 2.268 -1.286 -1.417 1.00 0.97 H new ATOM 0 HG22 VAL A 28 1.868 -2.346 -2.789 1.00 0.97 H new ATOM 0 HG23 VAL A 28 2.220 -0.625 -3.069 1.00 0.97 H new ATOM 446 N HIS A 29 0.822 0.126 -5.197 1.00 0.54 N ATOM 447 CA HIS A 29 1.788 0.297 -6.316 1.00 0.49 C ATOM 448 C HIS A 29 2.743 1.432 -5.932 1.00 0.48 C ATOM 449 O HIS A 29 2.368 2.340 -5.210 1.00 0.54 O ATOM 450 CB HIS A 29 1.020 0.668 -7.595 1.00 0.53 C ATOM 451 CG HIS A 29 1.879 0.440 -8.817 1.00 0.63 C ATOM 452 ND1 HIS A 29 1.559 0.982 -10.055 1.00 1.24 N ATOM 453 CD2 HIS A 29 3.038 -0.271 -9.011 1.00 1.24 C ATOM 454 CE1 HIS A 29 2.508 0.591 -10.927 1.00 1.11 C ATOM 455 NE2 HIS A 29 3.432 -0.173 -10.343 1.00 1.06 N ATOM 0 H HIS A 29 0.437 0.999 -4.836 1.00 0.54 H new ATOM 0 HA HIS A 29 2.345 -0.622 -6.497 1.00 0.49 H new ATOM 0 HB2 HIS A 29 0.111 0.070 -7.666 1.00 0.53 H new ATOM 0 HB3 HIS A 29 0.712 1.713 -7.550 1.00 0.53 H new ATOM 0 HD2 HIS A 29 3.564 -0.823 -8.246 1.00 1.24 H new ATOM 0 HE1 HIS A 29 2.519 0.863 -11.972 1.00 1.11 H new ATOM 0 HE2 HIS A 29 4.252 -0.595 -10.779 1.00 1.06 H new ATOM 463 N PHE A 30 3.965 1.407 -6.403 1.00 0.51 N ATOM 464 CA PHE A 30 4.926 2.508 -6.051 1.00 0.58 C ATOM 465 C PHE A 30 4.556 3.821 -6.782 1.00 0.52 C ATOM 466 O PHE A 30 5.390 4.687 -6.953 1.00 0.72 O ATOM 467 CB PHE A 30 6.358 2.090 -6.423 1.00 0.72 C ATOM 468 CG PHE A 30 6.450 1.790 -7.904 1.00 0.65 C ATOM 469 CD1 PHE A 30 6.603 2.835 -8.825 1.00 1.47 C ATOM 470 CD2 PHE A 30 6.381 0.467 -8.355 1.00 1.28 C ATOM 471 CE1 PHE A 30 6.686 2.557 -10.192 1.00 1.47 C ATOM 472 CE2 PHE A 30 6.465 0.189 -9.723 1.00 1.38 C ATOM 473 CZ PHE A 30 6.618 1.234 -10.643 1.00 0.83 C ATOM 0 H PHE A 30 4.341 0.680 -7.012 1.00 0.51 H new ATOM 0 HA PHE A 30 4.866 2.685 -4.977 1.00 0.58 H new ATOM 0 HB2 PHE A 30 7.056 2.886 -6.162 1.00 0.72 H new ATOM 0 HB3 PHE A 30 6.648 1.211 -5.848 1.00 0.72 H new ATOM 0 HD1 PHE A 30 6.657 3.856 -8.478 1.00 1.47 H new ATOM 0 HD2 PHE A 30 6.263 -0.339 -7.646 1.00 1.28 H new ATOM 0 HE1 PHE A 30 6.803 3.364 -10.901 1.00 1.47 H new ATOM 0 HE2 PHE A 30 6.412 -0.832 -10.070 1.00 1.38 H new ATOM 0 HZ PHE A 30 6.683 1.019 -11.699 1.00 0.83 H new ATOM 483 N SER A 31 3.317 3.985 -7.200 1.00 0.40 N ATOM 484 CA SER A 31 2.909 5.236 -7.896 1.00 0.42 C ATOM 485 C SER A 31 1.902 6.009 -7.023 1.00 0.36 C ATOM 486 O SER A 31 1.891 7.226 -7.020 1.00 0.37 O ATOM 487 CB SER A 31 2.255 4.886 -9.234 1.00 0.46 C ATOM 488 OG SER A 31 3.237 4.909 -10.263 1.00 1.46 O ATOM 0 H SER A 31 2.573 3.297 -7.084 1.00 0.40 H new ATOM 0 HA SER A 31 3.789 5.855 -8.070 1.00 0.42 H new ATOM 0 HB2 SER A 31 1.794 3.900 -9.179 1.00 0.46 H new ATOM 0 HB3 SER A 31 1.460 5.597 -9.459 1.00 0.46 H new ATOM 0 HG SER A 31 2.818 4.683 -11.120 1.00 1.46 H new ATOM 494 N ALA A 32 1.058 5.310 -6.284 1.00 0.34 N ATOM 495 CA ALA A 32 0.052 6.002 -5.412 1.00 0.31 C ATOM 496 C ALA A 32 0.638 6.219 -4.013 1.00 0.31 C ATOM 497 O ALA A 32 0.604 7.318 -3.492 1.00 0.33 O ATOM 498 CB ALA A 32 -1.239 5.177 -5.305 1.00 0.32 C ATOM 0 H ALA A 32 1.027 4.291 -6.251 1.00 0.34 H new ATOM 0 HA ALA A 32 -0.187 6.965 -5.863 1.00 0.31 H new ATOM 0 HB1 ALA A 32 -1.953 5.699 -4.668 1.00 0.32 H new ATOM 0 HB2 ALA A 32 -1.669 5.043 -6.298 1.00 0.32 H new ATOM 0 HB3 ALA A 32 -1.013 4.202 -4.873 1.00 0.32 H new ATOM 504 N ILE A 33 1.194 5.184 -3.406 1.00 0.35 N ATOM 505 CA ILE A 33 1.808 5.343 -2.040 1.00 0.41 C ATOM 506 C ILE A 33 3.119 6.143 -2.150 1.00 0.51 C ATOM 507 O ILE A 33 3.794 6.393 -1.166 1.00 0.68 O ATOM 508 CB ILE A 33 2.138 3.970 -1.431 1.00 0.54 C ATOM 509 CG1 ILE A 33 0.992 2.988 -1.674 1.00 0.60 C ATOM 510 CG2 ILE A 33 2.368 4.107 0.079 1.00 0.74 C ATOM 511 CD1 ILE A 33 1.516 1.791 -2.458 1.00 1.39 C ATOM 0 H ILE A 33 1.248 4.243 -3.797 1.00 0.35 H new ATOM 0 HA ILE A 33 1.091 5.864 -1.406 1.00 0.41 H new ATOM 0 HB ILE A 33 3.042 3.593 -1.908 1.00 0.54 H new ATOM 0 HG12 ILE A 33 0.571 2.659 -0.724 1.00 0.60 H new ATOM 0 HG13 ILE A 33 0.189 3.477 -2.226 1.00 0.60 H new ATOM 0 HG21 ILE A 33 2.601 3.130 0.502 1.00 0.74 H new ATOM 0 HG22 ILE A 33 3.199 4.788 0.260 1.00 0.74 H new ATOM 0 HG23 ILE A 33 1.467 4.501 0.550 1.00 0.74 H new ATOM 0 HD11 ILE A 33 0.703 1.087 -2.634 1.00 1.39 H new ATOM 0 HD12 ILE A 33 1.917 2.129 -3.414 1.00 1.39 H new ATOM 0 HD13 ILE A 33 2.304 1.299 -1.888 1.00 1.39 H new ATOM 523 N GLN A 34 3.488 6.516 -3.347 1.00 0.52 N ATOM 524 CA GLN A 34 4.761 7.269 -3.576 1.00 0.69 C ATOM 525 C GLN A 34 4.704 8.684 -2.969 1.00 0.98 C ATOM 526 O GLN A 34 3.826 9.012 -2.189 1.00 1.70 O ATOM 527 CB GLN A 34 5.022 7.378 -5.081 1.00 1.13 C ATOM 528 CG GLN A 34 6.395 6.784 -5.409 1.00 2.15 C ATOM 529 CD GLN A 34 7.485 7.844 -5.256 1.00 3.01 C ATOM 530 OE1 GLN A 34 7.973 8.076 -4.168 1.00 3.58 O ATOM 531 NE2 GLN A 34 7.895 8.496 -6.309 1.00 3.72 N ATOM 0 H GLN A 34 2.951 6.328 -4.194 1.00 0.52 H new ATOM 0 HA GLN A 34 5.567 6.722 -3.086 1.00 0.69 H new ATOM 0 HB2 GLN A 34 4.245 6.851 -5.634 1.00 1.13 H new ATOM 0 HB3 GLN A 34 4.982 8.422 -5.392 1.00 1.13 H new ATOM 0 HG2 GLN A 34 6.602 5.943 -4.747 1.00 2.15 H new ATOM 0 HG3 GLN A 34 6.396 6.396 -6.428 1.00 2.15 H new ATOM 0 HE21 GLN A 34 7.484 8.300 -7.222 1.00 3.72 H new ATOM 0 HE22 GLN A 34 8.626 9.202 -6.219 1.00 3.72 H new ATOM 540 N GLY A 35 5.662 9.516 -3.330 1.00 1.36 N ATOM 541 CA GLY A 35 5.727 10.914 -2.804 1.00 2.01 C ATOM 542 C GLY A 35 6.867 11.674 -3.510 1.00 2.40 C ATOM 543 O GLY A 35 7.413 11.209 -4.497 1.00 2.74 O ATOM 0 H GLY A 35 6.411 9.275 -3.979 1.00 1.36 H new ATOM 0 HA2 GLY A 35 4.777 11.422 -2.972 1.00 2.01 H new ATOM 0 HA3 GLY A 35 5.895 10.902 -1.727 1.00 2.01 H new ATOM 547 N GLU A 36 7.219 12.844 -3.013 1.00 2.79 N ATOM 548 CA GLU A 36 8.317 13.661 -3.644 1.00 3.33 C ATOM 549 C GLU A 36 9.575 12.806 -3.856 1.00 3.38 C ATOM 550 O GLU A 36 10.165 12.307 -2.913 1.00 3.79 O ATOM 551 CB GLU A 36 8.671 14.849 -2.736 1.00 4.04 C ATOM 552 CG GLU A 36 7.513 15.854 -2.723 1.00 4.67 C ATOM 553 CD GLU A 36 7.484 16.609 -1.387 1.00 5.28 C ATOM 554 OE1 GLU A 36 8.120 17.648 -1.301 1.00 5.70 O ATOM 555 OE2 GLU A 36 6.818 16.142 -0.477 1.00 5.62 O ATOM 0 H GLU A 36 6.790 13.271 -2.192 1.00 2.79 H new ATOM 0 HA GLU A 36 7.962 14.022 -4.609 1.00 3.33 H new ATOM 0 HB2 GLU A 36 8.872 14.498 -1.724 1.00 4.04 H new ATOM 0 HB3 GLU A 36 9.581 15.333 -3.092 1.00 4.04 H new ATOM 0 HG2 GLU A 36 7.625 16.560 -3.546 1.00 4.67 H new ATOM 0 HG3 GLU A 36 6.568 15.333 -2.876 1.00 4.67 H new ATOM 562 N GLY A 37 9.991 12.648 -5.093 1.00 3.28 N ATOM 563 CA GLY A 37 11.217 11.840 -5.395 1.00 3.52 C ATOM 564 C GLY A 37 10.844 10.359 -5.566 1.00 3.15 C ATOM 565 O GLY A 37 9.876 9.892 -4.996 1.00 2.74 O ATOM 0 H GLY A 37 9.530 13.047 -5.911 1.00 3.28 H new ATOM 0 HA2 GLY A 37 11.692 12.211 -6.303 1.00 3.52 H new ATOM 0 HA3 GLY A 37 11.942 11.950 -4.589 1.00 3.52 H new ATOM 569 N PHE A 38 11.613 9.613 -6.339 1.00 3.46 N ATOM 570 CA PHE A 38 11.305 8.159 -6.542 1.00 3.20 C ATOM 571 C PHE A 38 11.611 7.394 -5.241 1.00 2.66 C ATOM 572 O PHE A 38 12.716 7.441 -4.729 1.00 3.05 O ATOM 573 CB PHE A 38 12.146 7.621 -7.719 1.00 3.91 C ATOM 574 CG PHE A 38 12.380 6.132 -7.568 1.00 4.04 C ATOM 575 CD1 PHE A 38 11.323 5.227 -7.739 1.00 4.66 C ATOM 576 CD2 PHE A 38 13.659 5.661 -7.251 1.00 4.03 C ATOM 577 CE1 PHE A 38 11.550 3.852 -7.591 1.00 5.13 C ATOM 578 CE2 PHE A 38 13.884 4.289 -7.102 1.00 4.48 C ATOM 579 CZ PHE A 38 12.830 3.384 -7.271 1.00 4.98 C ATOM 0 H PHE A 38 12.437 9.952 -6.835 1.00 3.46 H new ATOM 0 HA PHE A 38 10.251 8.021 -6.784 1.00 3.20 H new ATOM 0 HB2 PHE A 38 11.634 7.821 -8.660 1.00 3.91 H new ATOM 0 HB3 PHE A 38 13.102 8.143 -7.759 1.00 3.91 H new ATOM 0 HD1 PHE A 38 10.335 5.589 -7.984 1.00 4.66 H new ATOM 0 HD2 PHE A 38 14.474 6.358 -7.121 1.00 4.03 H new ATOM 0 HE1 PHE A 38 10.737 3.153 -7.724 1.00 5.13 H new ATOM 0 HE2 PHE A 38 14.872 3.928 -6.856 1.00 4.48 H new ATOM 0 HZ PHE A 38 13.004 2.325 -7.155 1.00 4.98 H new ATOM 589 N LYS A 39 10.623 6.718 -4.691 1.00 2.15 N ATOM 590 CA LYS A 39 10.827 5.971 -3.405 1.00 2.01 C ATOM 591 C LYS A 39 10.739 4.444 -3.588 1.00 1.84 C ATOM 592 O LYS A 39 10.285 3.935 -4.599 1.00 2.04 O ATOM 593 CB LYS A 39 9.751 6.401 -2.395 1.00 2.34 C ATOM 594 CG LYS A 39 10.025 7.827 -1.909 1.00 2.68 C ATOM 595 CD LYS A 39 11.235 7.826 -0.970 1.00 3.61 C ATOM 596 CE LYS A 39 12.409 8.548 -1.638 1.00 4.37 C ATOM 597 NZ LYS A 39 12.005 9.939 -2.004 1.00 4.96 N ATOM 0 H LYS A 39 9.682 6.653 -5.080 1.00 2.15 H new ATOM 0 HA LYS A 39 11.829 6.211 -3.048 1.00 2.01 H new ATOM 0 HB2 LYS A 39 8.765 6.349 -2.858 1.00 2.34 H new ATOM 0 HB3 LYS A 39 9.742 5.715 -1.548 1.00 2.34 H new ATOM 0 HG2 LYS A 39 10.213 8.482 -2.760 1.00 2.68 H new ATOM 0 HG3 LYS A 39 9.150 8.220 -1.391 1.00 2.68 H new ATOM 0 HD2 LYS A 39 10.979 8.318 -0.032 1.00 3.61 H new ATOM 0 HD3 LYS A 39 11.517 6.802 -0.726 1.00 3.61 H new ATOM 0 HE2 LYS A 39 13.264 8.574 -0.962 1.00 4.37 H new ATOM 0 HE3 LYS A 39 12.723 8.004 -2.529 1.00 4.37 H new ATOM 0 HZ1 LYS A 39 12.802 10.587 -1.840 1.00 4.96 H new ATOM 0 HZ2 LYS A 39 11.736 9.969 -3.008 1.00 4.96 H new ATOM 0 HZ3 LYS A 39 11.196 10.231 -1.420 1.00 4.96 H new ATOM 611 N THR A 40 11.139 3.734 -2.556 1.00 1.94 N ATOM 612 CA THR A 40 11.079 2.235 -2.526 1.00 1.82 C ATOM 613 C THR A 40 10.714 1.830 -1.086 1.00 1.90 C ATOM 614 O THR A 40 10.624 2.677 -0.211 1.00 2.45 O ATOM 615 CB THR A 40 12.437 1.626 -2.939 1.00 2.10 C ATOM 616 OG1 THR A 40 12.466 0.241 -2.617 1.00 2.37 O ATOM 617 CG2 THR A 40 13.593 2.339 -2.225 1.00 2.90 C ATOM 0 H THR A 40 11.518 4.148 -1.704 1.00 1.94 H new ATOM 0 HA THR A 40 10.336 1.863 -3.232 1.00 1.82 H new ATOM 0 HB THR A 40 12.555 1.755 -4.015 1.00 2.10 H new ATOM 0 HG1 THR A 40 13.329 -0.139 -2.883 1.00 2.37 H new ATOM 0 HG21 THR A 40 14.540 1.894 -2.531 1.00 2.90 H new ATOM 0 HG22 THR A 40 13.587 3.396 -2.490 1.00 2.90 H new ATOM 0 HG23 THR A 40 13.474 2.234 -1.147 1.00 2.90 H new ATOM 625 N LEU A 41 10.472 0.566 -0.822 1.00 1.65 N ATOM 626 CA LEU A 41 10.078 0.175 0.574 1.00 1.89 C ATOM 627 C LEU A 41 10.509 -1.255 0.921 1.00 1.52 C ATOM 628 O LEU A 41 10.818 -2.062 0.062 1.00 1.79 O ATOM 629 CB LEU A 41 8.547 0.279 0.746 1.00 2.50 C ATOM 630 CG LEU A 41 7.864 0.714 -0.561 1.00 2.92 C ATOM 631 CD1 LEU A 41 7.879 -0.438 -1.572 1.00 3.51 C ATOM 632 CD2 LEU A 41 6.417 1.111 -0.263 1.00 3.80 C ATOM 0 H LEU A 41 10.528 -0.198 -1.495 1.00 1.65 H new ATOM 0 HA LEU A 41 10.588 0.864 1.247 1.00 1.89 H new ATOM 0 HB2 LEU A 41 8.149 -0.685 1.063 1.00 2.50 H new ATOM 0 HB3 LEU A 41 8.316 0.995 1.535 1.00 2.50 H new ATOM 0 HG LEU A 41 8.403 1.563 -0.983 1.00 2.92 H new ATOM 0 HD11 LEU A 41 7.393 -0.119 -2.494 1.00 3.51 H new ATOM 0 HD12 LEU A 41 8.910 -0.722 -1.785 1.00 3.51 H new ATOM 0 HD13 LEU A 41 7.345 -1.293 -1.157 1.00 3.51 H new ATOM 0 HD21 LEU A 41 5.927 1.421 -1.186 1.00 3.80 H new ATOM 0 HD22 LEU A 41 5.886 0.259 0.161 1.00 3.80 H new ATOM 0 HD23 LEU A 41 6.405 1.937 0.448 1.00 3.80 H new ATOM 644 N GLU A 42 10.490 -1.559 2.200 1.00 1.43 N ATOM 645 CA GLU A 42 10.851 -2.923 2.694 1.00 1.35 C ATOM 646 C GLU A 42 9.640 -3.491 3.447 1.00 1.06 C ATOM 647 O GLU A 42 8.618 -2.837 3.571 1.00 1.01 O ATOM 648 CB GLU A 42 12.049 -2.818 3.649 1.00 1.84 C ATOM 649 CG GLU A 42 13.350 -2.762 2.838 1.00 2.54 C ATOM 650 CD GLU A 42 14.275 -1.680 3.408 1.00 3.08 C ATOM 651 OE1 GLU A 42 15.046 -1.993 4.301 1.00 3.69 O ATOM 652 OE2 GLU A 42 14.204 -0.557 2.935 1.00 3.29 O ATOM 0 H GLU A 42 10.233 -0.901 2.936 1.00 1.43 H new ATOM 0 HA GLU A 42 11.118 -3.574 1.861 1.00 1.35 H new ATOM 0 HB2 GLU A 42 11.956 -1.926 4.268 1.00 1.84 H new ATOM 0 HB3 GLU A 42 12.066 -3.674 4.323 1.00 1.84 H new ATOM 0 HG2 GLU A 42 13.849 -3.731 2.867 1.00 2.54 H new ATOM 0 HG3 GLU A 42 13.128 -2.549 1.792 1.00 2.54 H new ATOM 659 N GLU A 43 9.739 -4.692 3.955 1.00 1.41 N ATOM 660 CA GLU A 43 8.585 -5.283 4.703 1.00 1.59 C ATOM 661 C GLU A 43 8.482 -4.587 6.070 1.00 1.32 C ATOM 662 O GLU A 43 9.477 -4.184 6.649 1.00 1.85 O ATOM 663 CB GLU A 43 8.821 -6.789 4.888 1.00 2.45 C ATOM 664 CG GLU A 43 7.490 -7.515 5.138 1.00 2.87 C ATOM 665 CD GLU A 43 7.111 -7.455 6.625 1.00 3.43 C ATOM 666 OE1 GLU A 43 7.899 -7.906 7.444 1.00 3.83 O ATOM 667 OE2 GLU A 43 6.029 -6.971 6.918 1.00 3.92 O ATOM 0 H GLU A 43 10.564 -5.288 3.886 1.00 1.41 H new ATOM 0 HA GLU A 43 7.656 -5.139 4.151 1.00 1.59 H new ATOM 0 HB2 GLU A 43 9.305 -7.199 4.001 1.00 2.45 H new ATOM 0 HB3 GLU A 43 9.497 -6.957 5.726 1.00 2.45 H new ATOM 0 HG2 GLU A 43 6.703 -7.059 4.538 1.00 2.87 H new ATOM 0 HG3 GLU A 43 7.571 -8.554 4.820 1.00 2.87 H new ATOM 674 N GLY A 44 7.285 -4.437 6.579 1.00 1.03 N ATOM 675 CA GLY A 44 7.090 -3.761 7.896 1.00 0.97 C ATOM 676 C GLY A 44 6.761 -2.270 7.693 1.00 0.72 C ATOM 677 O GLY A 44 6.542 -1.552 8.652 1.00 0.98 O ATOM 0 H GLY A 44 6.426 -4.758 6.132 1.00 1.03 H new ATOM 0 HA2 GLY A 44 6.283 -4.246 8.445 1.00 0.97 H new ATOM 0 HA3 GLY A 44 7.992 -3.862 8.500 1.00 0.97 H new ATOM 681 N GLN A 45 6.732 -1.797 6.459 1.00 0.59 N ATOM 682 CA GLN A 45 6.430 -0.357 6.202 1.00 0.76 C ATOM 683 C GLN A 45 4.932 -0.077 6.408 1.00 0.53 C ATOM 684 O GLN A 45 4.077 -0.623 5.717 1.00 0.46 O ATOM 685 CB GLN A 45 6.830 0.004 4.760 1.00 1.19 C ATOM 686 CG GLN A 45 6.718 1.523 4.551 1.00 1.57 C ATOM 687 CD GLN A 45 7.718 1.988 3.488 1.00 2.55 C ATOM 688 OE1 GLN A 45 8.892 1.675 3.559 1.00 3.20 O ATOM 689 NE2 GLN A 45 7.304 2.741 2.501 1.00 3.23 N ATOM 0 H GLN A 45 6.906 -2.355 5.623 1.00 0.59 H new ATOM 0 HA GLN A 45 7.000 0.252 6.904 1.00 0.76 H new ATOM 0 HB2 GLN A 45 7.850 -0.325 4.563 1.00 1.19 H new ATOM 0 HB3 GLN A 45 6.185 -0.518 4.053 1.00 1.19 H new ATOM 0 HG2 GLN A 45 5.704 1.781 4.244 1.00 1.57 H new ATOM 0 HG3 GLN A 45 6.908 2.041 5.491 1.00 1.57 H new ATOM 0 HE21 GLN A 45 6.321 3.005 2.439 1.00 3.23 H new ATOM 0 HE22 GLN A 45 7.965 3.064 1.794 1.00 3.23 H new ATOM 698 N ALA A 46 4.623 0.787 7.352 1.00 0.50 N ATOM 699 CA ALA A 46 3.205 1.165 7.623 1.00 0.40 C ATOM 700 C ALA A 46 2.861 2.397 6.771 1.00 0.32 C ATOM 701 O ALA A 46 3.598 3.370 6.754 1.00 0.39 O ATOM 702 CB ALA A 46 3.043 1.500 9.109 1.00 0.57 C ATOM 0 H ALA A 46 5.307 1.249 7.951 1.00 0.50 H new ATOM 0 HA ALA A 46 2.538 0.341 7.371 1.00 0.40 H new ATOM 0 HB1 ALA A 46 2.008 1.776 9.309 1.00 0.57 H new ATOM 0 HB2 ALA A 46 3.309 0.630 9.709 1.00 0.57 H new ATOM 0 HB3 ALA A 46 3.697 2.333 9.368 1.00 0.57 H new ATOM 708 N VAL A 47 1.762 2.362 6.056 1.00 0.25 N ATOM 709 CA VAL A 47 1.384 3.532 5.195 1.00 0.25 C ATOM 710 C VAL A 47 -0.028 4.023 5.551 1.00 0.20 C ATOM 711 O VAL A 47 -0.792 3.332 6.191 1.00 0.22 O ATOM 712 CB VAL A 47 1.435 3.123 3.718 1.00 0.33 C ATOM 713 CG1 VAL A 47 2.871 2.752 3.337 1.00 0.46 C ATOM 714 CG2 VAL A 47 0.515 1.921 3.478 1.00 0.36 C ATOM 0 H VAL A 47 1.111 1.577 6.030 1.00 0.25 H new ATOM 0 HA VAL A 47 2.091 4.343 5.371 1.00 0.25 H new ATOM 0 HB VAL A 47 1.100 3.959 3.104 1.00 0.33 H new ATOM 0 HG11 VAL A 47 2.905 2.462 2.287 1.00 0.46 H new ATOM 0 HG12 VAL A 47 3.523 3.610 3.498 1.00 0.46 H new ATOM 0 HG13 VAL A 47 3.208 1.920 3.955 1.00 0.46 H new ATOM 0 HG21 VAL A 47 0.556 1.636 2.427 1.00 0.36 H new ATOM 0 HG22 VAL A 47 0.842 1.084 4.094 1.00 0.36 H new ATOM 0 HG23 VAL A 47 -0.508 2.188 3.742 1.00 0.36 H new ATOM 724 N SER A 48 -0.372 5.218 5.128 1.00 0.22 N ATOM 725 CA SER A 48 -1.726 5.781 5.421 1.00 0.24 C ATOM 726 C SER A 48 -2.479 5.980 4.103 1.00 0.21 C ATOM 727 O SER A 48 -1.950 6.538 3.158 1.00 0.27 O ATOM 728 CB SER A 48 -1.581 7.126 6.144 1.00 0.33 C ATOM 729 OG SER A 48 -0.735 7.988 5.391 1.00 0.65 O ATOM 0 H SER A 48 0.236 5.832 4.586 1.00 0.22 H new ATOM 0 HA SER A 48 -2.280 5.093 6.060 1.00 0.24 H new ATOM 0 HB2 SER A 48 -2.560 7.586 6.276 1.00 0.33 H new ATOM 0 HB3 SER A 48 -1.165 6.971 7.140 1.00 0.33 H new ATOM 0 HG SER A 48 -0.646 8.846 5.855 1.00 0.65 H new ATOM 735 N PHE A 49 -3.702 5.520 4.028 1.00 0.16 N ATOM 736 CA PHE A 49 -4.487 5.670 2.760 1.00 0.14 C ATOM 737 C PHE A 49 -5.992 5.615 3.055 1.00 0.15 C ATOM 738 O PHE A 49 -6.419 5.521 4.191 1.00 0.17 O ATOM 739 CB PHE A 49 -4.118 4.521 1.800 1.00 0.13 C ATOM 740 CG PHE A 49 -4.285 3.193 2.504 1.00 0.12 C ATOM 741 CD1 PHE A 49 -5.567 2.687 2.719 1.00 1.15 C ATOM 742 CD2 PHE A 49 -3.168 2.471 2.944 1.00 1.17 C ATOM 743 CE1 PHE A 49 -5.743 1.464 3.369 1.00 1.15 C ATOM 744 CE2 PHE A 49 -3.346 1.245 3.595 1.00 1.18 C ATOM 745 CZ PHE A 49 -4.632 0.741 3.807 1.00 0.16 C ATOM 0 H PHE A 49 -4.192 5.047 4.787 1.00 0.16 H new ATOM 0 HA PHE A 49 -4.249 6.632 2.306 1.00 0.14 H new ATOM 0 HB2 PHE A 49 -4.753 4.556 0.915 1.00 0.13 H new ATOM 0 HB3 PHE A 49 -3.089 4.636 1.459 1.00 0.13 H new ATOM 0 HD1 PHE A 49 -6.428 3.244 2.381 1.00 1.15 H new ATOM 0 HD2 PHE A 49 -2.173 2.859 2.781 1.00 1.17 H new ATOM 0 HE1 PHE A 49 -6.738 1.077 3.533 1.00 1.15 H new ATOM 0 HE2 PHE A 49 -2.486 0.686 3.935 1.00 1.18 H new ATOM 0 HZ PHE A 49 -4.766 -0.206 4.309 1.00 0.16 H new ATOM 755 N GLU A 50 -6.789 5.670 2.022 1.00 0.14 N ATOM 756 CA GLU A 50 -8.266 5.609 2.177 1.00 0.16 C ATOM 757 C GLU A 50 -8.827 4.500 1.259 1.00 0.15 C ATOM 758 O GLU A 50 -9.106 4.731 0.095 1.00 0.16 O ATOM 759 CB GLU A 50 -8.872 6.966 1.789 1.00 0.20 C ATOM 760 CG GLU A 50 -9.852 7.426 2.874 1.00 1.28 C ATOM 761 CD GLU A 50 -10.808 8.476 2.297 1.00 1.81 C ATOM 762 OE1 GLU A 50 -11.838 8.086 1.768 1.00 2.53 O ATOM 763 OE2 GLU A 50 -10.496 9.653 2.397 1.00 2.24 O ATOM 0 H GLU A 50 -6.468 5.757 1.058 1.00 0.14 H new ATOM 0 HA GLU A 50 -8.523 5.384 3.212 1.00 0.16 H new ATOM 0 HB2 GLU A 50 -8.081 7.705 1.663 1.00 0.20 H new ATOM 0 HB3 GLU A 50 -9.387 6.884 0.832 1.00 0.20 H new ATOM 0 HG2 GLU A 50 -10.417 6.574 3.251 1.00 1.28 H new ATOM 0 HG3 GLU A 50 -9.304 7.844 3.718 1.00 1.28 H new ATOM 770 N ILE A 51 -8.983 3.293 1.775 1.00 0.16 N ATOM 771 CA ILE A 51 -9.513 2.163 0.944 1.00 0.18 C ATOM 772 C ILE A 51 -10.935 2.480 0.449 1.00 0.18 C ATOM 773 O ILE A 51 -11.790 2.940 1.186 1.00 0.29 O ATOM 774 CB ILE A 51 -9.567 0.886 1.797 1.00 0.23 C ATOM 775 CG1 ILE A 51 -8.200 0.216 1.833 1.00 0.27 C ATOM 776 CG2 ILE A 51 -10.591 -0.103 1.225 1.00 0.41 C ATOM 777 CD1 ILE A 51 -8.133 -0.703 3.057 1.00 1.12 C ATOM 0 H ILE A 51 -8.763 3.047 2.740 1.00 0.16 H new ATOM 0 HA ILE A 51 -8.854 2.023 0.087 1.00 0.18 H new ATOM 0 HB ILE A 51 -9.863 1.169 2.807 1.00 0.23 H new ATOM 0 HG12 ILE A 51 -8.037 -0.358 0.921 1.00 0.27 H new ATOM 0 HG13 ILE A 51 -7.412 0.968 1.882 1.00 0.27 H new ATOM 0 HG21 ILE A 51 -10.614 -1.001 1.843 1.00 0.41 H new ATOM 0 HG22 ILE A 51 -11.578 0.359 1.218 1.00 0.41 H new ATOM 0 HG23 ILE A 51 -10.309 -0.371 0.207 1.00 0.41 H new ATOM 0 HD11 ILE A 51 -7.158 -1.189 3.094 1.00 1.12 H new ATOM 0 HD12 ILE A 51 -8.280 -0.114 3.963 1.00 1.12 H new ATOM 0 HD13 ILE A 51 -8.914 -1.460 2.986 1.00 1.12 H new ATOM 789 N VAL A 52 -11.166 2.204 -0.811 1.00 0.18 N ATOM 790 CA VAL A 52 -12.485 2.424 -1.456 1.00 0.17 C ATOM 791 C VAL A 52 -12.983 1.054 -1.937 1.00 0.17 C ATOM 792 O VAL A 52 -12.352 0.043 -1.674 1.00 0.17 O ATOM 793 CB VAL A 52 -12.303 3.382 -2.651 1.00 0.18 C ATOM 794 CG1 VAL A 52 -11.600 4.658 -2.185 1.00 0.21 C ATOM 795 CG2 VAL A 52 -11.445 2.715 -3.736 1.00 0.20 C ATOM 0 H VAL A 52 -10.460 1.819 -1.439 1.00 0.18 H new ATOM 0 HA VAL A 52 -13.204 2.866 -0.767 1.00 0.17 H new ATOM 0 HB VAL A 52 -13.285 3.623 -3.058 1.00 0.18 H new ATOM 0 HG11 VAL A 52 -11.473 5.333 -3.031 1.00 0.21 H new ATOM 0 HG12 VAL A 52 -12.202 5.146 -1.419 1.00 0.21 H new ATOM 0 HG13 VAL A 52 -10.623 4.405 -1.772 1.00 0.21 H new ATOM 0 HG21 VAL A 52 -11.323 3.400 -4.575 1.00 0.20 H new ATOM 0 HG22 VAL A 52 -10.467 2.467 -3.325 1.00 0.20 H new ATOM 0 HG23 VAL A 52 -11.936 1.804 -4.079 1.00 0.20 H new ATOM 805 N GLU A 53 -14.085 1.000 -2.641 1.00 0.19 N ATOM 806 CA GLU A 53 -14.593 -0.319 -3.126 1.00 0.23 C ATOM 807 C GLU A 53 -14.723 -0.284 -4.649 1.00 0.26 C ATOM 808 O GLU A 53 -15.530 0.449 -5.195 1.00 0.30 O ATOM 809 CB GLU A 53 -15.962 -0.603 -2.500 1.00 0.28 C ATOM 810 CG GLU A 53 -15.773 -1.275 -1.138 1.00 1.36 C ATOM 811 CD GLU A 53 -17.128 -1.413 -0.436 1.00 1.95 C ATOM 812 OE1 GLU A 53 -17.784 -2.421 -0.646 1.00 2.50 O ATOM 813 OE2 GLU A 53 -17.485 -0.510 0.304 1.00 2.54 O ATOM 0 H GLU A 53 -14.652 1.807 -2.900 1.00 0.19 H new ATOM 0 HA GLU A 53 -13.895 -1.106 -2.839 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -16.520 0.326 -2.384 1.00 0.28 H new ATOM 0 HB3 GLU A 53 -16.547 -1.247 -3.157 1.00 0.28 H new ATOM 0 HG2 GLU A 53 -15.318 -2.257 -1.267 1.00 1.36 H new ATOM 0 HG3 GLU A 53 -15.092 -0.686 -0.523 1.00 1.36 H new ATOM 820 N GLY A 54 -13.930 -1.073 -5.338 1.00 0.27 N ATOM 821 CA GLY A 54 -13.999 -1.094 -6.832 1.00 0.33 C ATOM 822 C GLY A 54 -14.159 -2.534 -7.324 1.00 0.37 C ATOM 823 O GLY A 54 -14.166 -3.465 -6.542 1.00 0.38 O ATOM 0 H GLY A 54 -13.239 -1.702 -4.929 1.00 0.27 H new ATOM 0 HA2 GLY A 54 -14.837 -0.488 -7.175 1.00 0.33 H new ATOM 0 HA3 GLY A 54 -13.095 -0.655 -7.253 1.00 0.33 H new ATOM 827 N ASN A 55 -14.321 -2.711 -8.615 1.00 0.43 N ATOM 828 CA ASN A 55 -14.516 -4.093 -9.197 1.00 0.50 C ATOM 829 C ASN A 55 -13.641 -5.185 -8.505 1.00 0.50 C ATOM 830 O ASN A 55 -14.170 -6.211 -8.118 1.00 0.55 O ATOM 831 CB ASN A 55 -14.183 -4.056 -10.695 1.00 0.56 C ATOM 832 CG ASN A 55 -15.431 -4.418 -11.509 1.00 1.12 C ATOM 833 OD1 ASN A 55 -15.751 -5.579 -11.669 1.00 1.97 O ATOM 834 ND2 ASN A 55 -16.157 -3.467 -12.034 1.00 1.74 N ATOM 0 H ASN A 55 -14.328 -1.956 -9.301 1.00 0.43 H new ATOM 0 HA ASN A 55 -15.557 -4.367 -9.027 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -13.829 -3.064 -10.975 1.00 0.56 H new ATOM 0 HB3 ASN A 55 -13.377 -4.756 -10.916 1.00 0.56 H new ATOM 0 HD21 ASN A 55 -16.989 -3.701 -12.576 1.00 1.74 H new ATOM 0 HD22 ASN A 55 -15.892 -2.491 -11.902 1.00 1.74 H new ATOM 841 N ARG A 56 -12.326 -5.016 -8.356 1.00 0.49 N ATOM 842 CA ARG A 56 -11.493 -6.091 -7.711 1.00 0.54 C ATOM 843 C ARG A 56 -11.628 -6.096 -6.169 1.00 0.45 C ATOM 844 O ARG A 56 -10.865 -6.766 -5.496 1.00 0.60 O ATOM 845 CB ARG A 56 -10.020 -5.872 -8.084 1.00 0.62 C ATOM 846 CG ARG A 56 -9.610 -6.855 -9.188 1.00 1.15 C ATOM 847 CD ARG A 56 -8.962 -6.084 -10.341 1.00 1.63 C ATOM 848 NE ARG A 56 -8.723 -7.010 -11.504 1.00 2.23 N ATOM 849 CZ ARG A 56 -7.986 -8.095 -11.398 1.00 3.08 C ATOM 850 NH1 ARG A 56 -7.245 -8.308 -10.336 1.00 3.50 N ATOM 851 NH2 ARG A 56 -7.945 -8.944 -12.393 1.00 3.91 N ATOM 0 H ARG A 56 -11.810 -4.188 -8.652 1.00 0.49 H new ATOM 0 HA ARG A 56 -11.852 -7.053 -8.077 1.00 0.54 H new ATOM 0 HB2 ARG A 56 -9.870 -4.847 -8.423 1.00 0.62 H new ATOM 0 HB3 ARG A 56 -9.389 -6.013 -7.207 1.00 0.62 H new ATOM 0 HG2 ARG A 56 -8.912 -7.593 -8.792 1.00 1.15 H new ATOM 0 HG3 ARG A 56 -10.483 -7.401 -9.546 1.00 1.15 H new ATOM 0 HD2 ARG A 56 -9.607 -5.260 -10.647 1.00 1.63 H new ATOM 0 HD3 ARG A 56 -8.019 -5.646 -10.013 1.00 1.63 H new ATOM 0 HE ARG A 56 -9.147 -6.789 -12.405 1.00 2.23 H new ATOM 0 HH11 ARG A 56 -7.234 -7.627 -9.577 1.00 3.50 H new ATOM 0 HH12 ARG A 56 -6.680 -9.154 -10.270 1.00 3.50 H new ATOM 0 HH21 ARG A 56 -8.481 -8.762 -13.241 1.00 3.91 H new ATOM 0 HH22 ARG A 56 -7.377 -9.788 -12.320 1.00 3.91 H new ATOM 865 N GLY A 57 -12.578 -5.382 -5.595 1.00 0.38 N ATOM 866 CA GLY A 57 -12.721 -5.390 -4.101 1.00 0.32 C ATOM 867 C GLY A 57 -12.182 -4.072 -3.499 1.00 0.26 C ATOM 868 O GLY A 57 -11.863 -3.149 -4.234 1.00 0.26 O ATOM 0 H GLY A 57 -13.252 -4.801 -6.093 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -13.769 -5.518 -3.831 1.00 0.32 H new ATOM 0 HA3 GLY A 57 -12.178 -6.237 -3.682 1.00 0.32 H new ATOM 872 N PRO A 58 -12.086 -4.019 -2.174 1.00 0.25 N ATOM 873 CA PRO A 58 -11.561 -2.824 -1.475 1.00 0.23 C ATOM 874 C PRO A 58 -10.087 -2.594 -1.855 1.00 0.21 C ATOM 875 O PRO A 58 -9.315 -3.530 -1.979 1.00 0.31 O ATOM 876 CB PRO A 58 -11.688 -3.143 0.020 1.00 0.29 C ATOM 877 CG PRO A 58 -12.246 -4.581 0.148 1.00 0.33 C ATOM 878 CD PRO A 58 -12.512 -5.113 -1.269 1.00 0.30 C ATOM 0 HA PRO A 58 -12.105 -1.918 -1.743 1.00 0.23 H new ATOM 0 HB2 PRO A 58 -10.718 -3.064 0.512 1.00 0.29 H new ATOM 0 HB3 PRO A 58 -12.352 -2.430 0.508 1.00 0.29 H new ATOM 0 HG2 PRO A 58 -11.534 -5.221 0.668 1.00 0.33 H new ATOM 0 HG3 PRO A 58 -13.165 -4.583 0.735 1.00 0.33 H new ATOM 0 HD2 PRO A 58 -11.948 -6.026 -1.460 1.00 0.30 H new ATOM 0 HD3 PRO A 58 -13.566 -5.354 -1.409 1.00 0.30 H new ATOM 886 N GLN A 59 -9.704 -1.355 -2.055 1.00 0.18 N ATOM 887 CA GLN A 59 -8.284 -1.051 -2.452 1.00 0.19 C ATOM 888 C GLN A 59 -7.895 0.391 -2.073 1.00 0.17 C ATOM 889 O GLN A 59 -8.699 1.302 -2.167 1.00 0.17 O ATOM 890 CB GLN A 59 -8.167 -1.190 -3.973 1.00 0.22 C ATOM 891 CG GLN A 59 -7.387 -2.464 -4.314 1.00 0.51 C ATOM 892 CD GLN A 59 -7.231 -2.596 -5.834 1.00 0.72 C ATOM 893 OE1 GLN A 59 -6.837 -1.659 -6.503 1.00 1.69 O ATOM 894 NE2 GLN A 59 -7.518 -3.732 -6.412 1.00 1.10 N ATOM 0 H GLN A 59 -10.310 -0.540 -1.962 1.00 0.18 H new ATOM 0 HA GLN A 59 -7.622 -1.744 -1.932 1.00 0.19 H new ATOM 0 HB2 GLN A 59 -9.159 -1.228 -4.422 1.00 0.22 H new ATOM 0 HB3 GLN A 59 -7.661 -0.319 -4.390 1.00 0.22 H new ATOM 0 HG2 GLN A 59 -6.405 -2.436 -3.841 1.00 0.51 H new ATOM 0 HG3 GLN A 59 -7.908 -3.336 -3.917 1.00 0.51 H new ATOM 0 HE21 GLN A 59 -7.848 -4.519 -5.854 1.00 1.10 H new ATOM 0 HE22 GLN A 59 -7.412 -3.832 -7.422 1.00 1.10 H new ATOM 903 N ALA A 60 -6.646 0.608 -1.698 1.00 0.18 N ATOM 904 CA ALA A 60 -6.177 1.998 -1.377 1.00 0.18 C ATOM 905 C ALA A 60 -5.903 2.716 -2.713 1.00 0.20 C ATOM 906 O ALA A 60 -5.778 2.072 -3.742 1.00 0.25 O ATOM 907 CB ALA A 60 -4.949 1.952 -0.481 1.00 0.21 C ATOM 0 H ALA A 60 -5.936 -0.118 -1.602 1.00 0.18 H new ATOM 0 HA ALA A 60 -6.936 2.551 -0.823 1.00 0.18 H new ATOM 0 HB1 ALA A 60 -4.623 2.968 -0.258 1.00 0.21 H new ATOM 0 HB2 ALA A 60 -5.196 1.438 0.448 1.00 0.21 H new ATOM 0 HB3 ALA A 60 -4.147 1.417 -0.990 1.00 0.21 H new ATOM 913 N ALA A 61 -5.874 4.033 -2.735 1.00 0.19 N ATOM 914 CA ALA A 61 -5.686 4.741 -4.063 1.00 0.23 C ATOM 915 C ALA A 61 -4.653 5.867 -3.987 1.00 0.22 C ATOM 916 O ALA A 61 -3.825 6.027 -4.861 1.00 0.23 O ATOM 917 CB ALA A 61 -7.038 5.310 -4.505 1.00 0.26 C ATOM 0 H ALA A 61 -5.969 4.639 -1.920 1.00 0.19 H new ATOM 0 HA ALA A 61 -5.311 4.015 -4.784 1.00 0.23 H new ATOM 0 HB1 ALA A 61 -6.922 5.823 -5.459 1.00 0.26 H new ATOM 0 HB2 ALA A 61 -7.756 4.498 -4.615 1.00 0.26 H new ATOM 0 HB3 ALA A 61 -7.399 6.014 -3.756 1.00 0.26 H new ATOM 923 N ASN A 62 -4.721 6.641 -2.953 1.00 0.21 N ATOM 924 CA ASN A 62 -3.785 7.780 -2.751 1.00 0.21 C ATOM 925 C ASN A 62 -3.079 7.537 -1.417 1.00 0.20 C ATOM 926 O ASN A 62 -3.090 8.357 -0.514 1.00 0.24 O ATOM 927 CB ASN A 62 -4.582 9.096 -2.709 1.00 0.24 C ATOM 928 CG ASN A 62 -4.486 9.818 -4.060 1.00 1.22 C ATOM 929 OD1 ASN A 62 -4.445 9.192 -5.102 1.00 2.03 O ATOM 930 ND2 ASN A 62 -4.454 11.125 -4.087 1.00 1.90 N ATOM 0 H ASN A 62 -5.410 6.531 -2.209 1.00 0.21 H new ATOM 0 HA ASN A 62 -3.059 7.853 -3.561 1.00 0.21 H new ATOM 0 HB2 ASN A 62 -5.626 8.890 -2.472 1.00 0.24 H new ATOM 0 HB3 ASN A 62 -4.196 9.738 -1.917 1.00 0.24 H new ATOM 0 HD21 ASN A 62 -4.395 11.615 -4.979 1.00 1.90 H new ATOM 0 HD22 ASN A 62 -4.488 11.654 -3.216 1.00 1.90 H new ATOM 937 N VAL A 63 -2.476 6.379 -1.300 1.00 0.19 N ATOM 938 CA VAL A 63 -1.766 5.994 -0.049 1.00 0.18 C ATOM 939 C VAL A 63 -0.494 6.829 0.102 1.00 0.22 C ATOM 940 O VAL A 63 -0.032 7.454 -0.835 1.00 0.25 O ATOM 941 CB VAL A 63 -1.363 4.514 -0.140 1.00 0.19 C ATOM 942 CG1 VAL A 63 -0.896 4.007 1.227 1.00 0.20 C ATOM 943 CG2 VAL A 63 -2.551 3.674 -0.618 1.00 0.18 C ATOM 0 H VAL A 63 -2.448 5.673 -2.036 1.00 0.19 H new ATOM 0 HA VAL A 63 -2.424 6.163 0.804 1.00 0.18 H new ATOM 0 HB VAL A 63 -0.545 4.421 -0.854 1.00 0.19 H new ATOM 0 HG11 VAL A 63 -0.613 2.957 1.149 1.00 0.20 H new ATOM 0 HG12 VAL A 63 -0.037 4.590 1.557 1.00 0.20 H new ATOM 0 HG13 VAL A 63 -1.705 4.112 1.950 1.00 0.20 H new ATOM 0 HG21 VAL A 63 -2.255 2.627 -0.679 1.00 0.18 H new ATOM 0 HG22 VAL A 63 -3.376 3.777 0.086 1.00 0.18 H new ATOM 0 HG23 VAL A 63 -2.868 4.019 -1.602 1.00 0.18 H new ATOM 953 N THR A 64 0.081 6.826 1.273 1.00 0.25 N ATOM 954 CA THR A 64 1.348 7.592 1.491 1.00 0.30 C ATOM 955 C THR A 64 2.122 6.935 2.648 1.00 0.32 C ATOM 956 O THR A 64 1.529 6.410 3.575 1.00 0.35 O ATOM 957 CB THR A 64 1.046 9.059 1.857 1.00 0.33 C ATOM 958 OG1 THR A 64 -0.271 9.420 1.443 1.00 0.49 O ATOM 959 CG2 THR A 64 2.063 9.979 1.178 1.00 0.47 C ATOM 0 H THR A 64 -0.269 6.327 2.091 1.00 0.25 H new ATOM 0 HA THR A 64 1.935 7.578 0.573 1.00 0.30 H new ATOM 0 HB THR A 64 1.116 9.167 2.939 1.00 0.33 H new ATOM 0 HG1 THR A 64 -0.446 10.354 1.685 1.00 0.49 H new ATOM 0 HG21 THR A 64 1.847 11.015 1.438 1.00 0.47 H new ATOM 0 HG22 THR A 64 3.067 9.722 1.514 1.00 0.47 H new ATOM 0 HG23 THR A 64 2.000 9.856 0.097 1.00 0.47 H new ATOM 967 N LYS A 65 3.434 6.959 2.601 1.00 0.37 N ATOM 968 CA LYS A 65 4.248 6.330 3.699 1.00 0.41 C ATOM 969 C LYS A 65 3.946 7.015 5.044 1.00 0.45 C ATOM 970 O LYS A 65 3.867 8.228 5.130 1.00 0.56 O ATOM 971 CB LYS A 65 5.750 6.446 3.380 1.00 0.57 C ATOM 972 CG LYS A 65 6.125 7.904 3.089 1.00 1.37 C ATOM 973 CD LYS A 65 7.608 8.133 3.406 1.00 1.87 C ATOM 974 CE LYS A 65 8.482 7.509 2.310 1.00 2.71 C ATOM 975 NZ LYS A 65 9.595 8.442 1.958 1.00 3.46 N ATOM 0 H LYS A 65 3.979 7.386 1.852 1.00 0.37 H new ATOM 0 HA LYS A 65 3.980 5.276 3.770 1.00 0.41 H new ATOM 0 HB2 LYS A 65 6.336 6.074 4.220 1.00 0.57 H new ATOM 0 HB3 LYS A 65 5.995 5.823 2.520 1.00 0.57 H new ATOM 0 HG2 LYS A 65 5.927 8.138 2.043 1.00 1.37 H new ATOM 0 HG3 LYS A 65 5.508 8.574 3.688 1.00 1.37 H new ATOM 0 HD2 LYS A 65 7.812 9.201 3.481 1.00 1.87 H new ATOM 0 HD3 LYS A 65 7.854 7.693 4.373 1.00 1.87 H new ATOM 0 HE2 LYS A 65 8.888 6.557 2.653 1.00 2.71 H new ATOM 0 HE3 LYS A 65 7.879 7.298 1.427 1.00 2.71 H new ATOM 0 HZ1 LYS A 65 10.466 7.897 1.794 1.00 3.46 H new ATOM 0 HZ2 LYS A 65 9.348 8.967 1.095 1.00 3.46 H new ATOM 0 HZ3 LYS A 65 9.747 9.111 2.739 1.00 3.46 H new ATOM 989 N GLU A 66 3.774 6.240 6.094 1.00 0.44 N ATOM 990 CA GLU A 66 3.475 6.837 7.434 1.00 0.53 C ATOM 991 C GLU A 66 4.768 7.369 8.066 1.00 0.80 C ATOM 992 O GLU A 66 5.736 6.643 8.221 1.00 1.12 O ATOM 993 CB GLU A 66 2.858 5.770 8.348 1.00 0.67 C ATOM 994 CG GLU A 66 2.155 6.444 9.531 1.00 1.44 C ATOM 995 CD GLU A 66 2.937 6.163 10.819 1.00 1.77 C ATOM 996 OE1 GLU A 66 3.874 6.895 11.094 1.00 2.26 O ATOM 997 OE2 GLU A 66 2.586 5.219 11.508 1.00 2.38 O ATOM 0 H GLU A 66 3.828 5.222 6.078 1.00 0.44 H new ATOM 0 HA GLU A 66 2.770 7.659 7.310 1.00 0.53 H new ATOM 0 HB2 GLU A 66 2.146 5.165 7.787 1.00 0.67 H new ATOM 0 HB3 GLU A 66 3.634 5.096 8.710 1.00 0.67 H new ATOM 0 HG2 GLU A 66 2.086 7.519 9.362 1.00 1.44 H new ATOM 0 HG3 GLU A 66 1.135 6.070 9.623 1.00 1.44 H new ATOM 1004 N ALA A 67 4.784 8.630 8.434 1.00 1.04 N ATOM 1005 CA ALA A 67 6.006 9.226 9.060 1.00 1.40 C ATOM 1006 C ALA A 67 5.859 9.217 10.590 1.00 1.94 C ATOM 1007 O ALA A 67 4.905 9.798 11.088 1.00 2.49 O ATOM 1008 CB ALA A 67 6.186 10.666 8.561 1.00 2.09 C ATOM 1009 OXT ALA A 67 6.698 8.613 11.240 1.00 2.59 O ATOM 0 H ALA A 67 3.999 9.273 8.327 1.00 1.04 H new ATOM 0 HA ALA A 67 6.881 8.638 8.783 1.00 1.40 H new ATOM 0 HB1 ALA A 67 7.076 11.100 9.017 1.00 2.09 H new ATOM 0 HB2 ALA A 67 6.298 10.664 7.477 1.00 2.09 H new ATOM 0 HB3 ALA A 67 5.313 11.258 8.835 1.00 2.09 H new TER 1015 ALA A 67 END