USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) HEADER SIGNALING PROTEIN 10-AUG-98 1BO0 TITLE MONOCYTE CHEMOATTRACTANT PROTEIN-3, NMR, MINIMIZED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (MONOCYTE CHEMOATTRACTANT PROTEIN-3); COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MCP-3; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS CHEMOTACTIC CYTOKINE, SIGNALING PROTEIN EXPDTA SOLUTION NMR AUTHOR D.KWON,D.LEE,B.D.SYKES,K.-S.KIM REVDAT 2 24-FEB-09 1BO0 1 VERSN REVDAT 1 10-OCT-99 1BO0 0 JRNL AUTH K.S.KIM,K.RAJARATHNAM,I.CLARK-LEWIS,B.D.SYKES JRNL TITL STRUCTURAL CHARACTERIZATION OF A MONOMERIC JRNL TITL 2 CHEMOKINE: MONOCYTE CHEMOATTRACTANT PROTEIN-3. JRNL REF FEBS LETT. V. 395 277 1996 JRNL REFN ISSN 0014-5793 JRNL PMID 8898111 JRNL DOI 10.1016/0014-5793(96)01024-1 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1BO0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-AUG-99. REMARK 100 THE RCSB ID CODE IS RCSB008202. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5.1 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: MINIMIZED AVERAGE STRUCTURE 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 PRO A 21 99.55 -69.14 REMARK 500 THR A 56 -49.91 -153.61 REMARK 500 LYS A 69 -90.24 44.04 REMARK 500 THR A 71 -73.76 -151.04 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 14 0.29 SIDE_CHAIN REMARK 500 ARG A 24 0.29 SIDE_CHAIN REMARK 500 ARG A 29 0.21 SIDE_CHAIN REMARK 500 ARG A 30 0.32 SIDE_CHAIN REMARK 500 ARG A 38 0.20 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1BO0 A 1 76 UNP P80098 CCL7_HUMAN 24 99 SEQRES 1 A 76 GLN PRO VAL GLY ILE ASN THR SER THR THR CYS CYS TYR SEQRES 2 A 76 ARG PHE ILE ASN LYS LYS ILE PRO LYS GLN ARG LEU GLU SEQRES 3 A 76 SER TYR ARG ARG THR THR SER SER HIS CYS PRO ARG GLU SEQRES 4 A 76 ALA VAL ILE PHE LYS THR LYS LEU ASP LYS GLU ILE CYS SEQRES 5 A 76 ALA ASP PRO THR GLN LYS TRP VAL GLN ASP PHE MET LYS SEQRES 6 A 76 HIS LEU ASP LYS LYS THR GLN THR PRO LYS LEU HELIX 1 1 LYS A 22 ARG A 24 5 3 HELIX 2 2 LYS A 58 ASP A 68 1 11 SHEET 1 A 3 GLU A 50 ASP A 54 0 SHEET 2 A 3 ALA A 40 THR A 45 -1 N PHE A 43 O ILE A 51 SHEET 3 A 3 LEU A 25 ARG A 30 -1 N ARG A 29 O ILE A 42 SSBOND *** CYS A 11 CYS A 36 1555 1555 2.02 SSBOND *** CYS A 12 CYS A 52 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 26:sc= 1 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= -0.387 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 176:sc= -0.0324 (180deg=-0.0751) USER MOD Single : A 1 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.6!) USER MOD Single : A 1 GLN N :NH3+ -101:sc= 0 (180deg=-0.123) USER MOD Single : A 6 ASN : amide:sc= -0.0571 X(o=-0.057,f=-0.51) USER MOD Single : A 7 THR OG1 : rot 63:sc= 1.09 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -82:sc= 0.162 USER MOD Single : A 10 THR OG1 : rot 51:sc= 0.24 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.000965 K(o=-0.00097,f=-1.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 28 TYR OH : rot 71:sc= -0.124 USER MOD Single : A 31 THR OG1 : rot 87:sc= 0.46 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -152:sc= -0.276 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.61! K(o=-1.6!,f=-0.02) USER MOD Single : A 45 THR OG1 : rot 90:sc= 0.272 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -20:sc= 0.0785! USER MOD Single : A 57 GLN : amide:sc= -0.0187 K(o=-0.019,f=-1.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.698 K(o=-0.7,f=-3.5!) USER MOD Single : A 64 MET CE :methyl -128:sc= -2.65 (180deg=-5.15!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -112:sc= -0.0152 (180deg=-0.257) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 72 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 67.381 26.782 4.533 1.00 13.66 N ATOM 2 CA GLN A 1 67.570 27.223 3.114 1.00 13.08 C ATOM 3 C GLN A 1 69.019 27.778 2.966 1.00 12.50 C ATOM 4 O GLN A 1 69.244 28.964 3.101 1.00 12.03 O ATOM 5 CB GLN A 1 66.469 28.295 2.876 1.00 12.97 C ATOM 6 CG GLN A 1 65.175 27.612 2.370 1.00 13.10 C ATOM 7 CD GLN A 1 63.925 28.158 3.098 1.00 13.15 C ATOM 8 OE1 GLN A 1 63.996 28.585 4.234 1.00 13.33 O ATOM 9 NE2 GLN A 1 62.765 28.148 2.482 1.00 13.18 N ATOM 0 H1 GLN A 1 67.475 25.748 4.591 1.00 13.66 H new ATOM 0 H2 GLN A 1 68.102 27.229 5.135 1.00 13.66 H new ATOM 0 H3 GLN A 1 66.434 27.062 4.860 1.00 13.66 H new ATOM 0 HA GLN A 1 67.469 26.429 2.374 1.00 13.08 H new ATOM 0 HB2 GLN A 1 66.268 28.835 3.801 1.00 12.97 H new ATOM 0 HB3 GLN A 1 66.814 29.028 2.147 1.00 12.97 H new ATOM 0 HG2 GLN A 1 65.072 27.774 1.297 1.00 13.10 H new ATOM 0 HG3 GLN A 1 65.246 26.535 2.524 1.00 13.10 H new ATOM 0 HE21 GLN A 1 62.697 27.791 1.529 1.00 13.18 H new ATOM 0 HE22 GLN A 1 61.932 28.497 2.957 1.00 13.18 H new ATOM 18 N PRO A 2 69.969 26.865 2.749 1.00 12.71 N ATOM 19 CA PRO A 2 71.421 27.231 2.652 1.00 12.41 C ATOM 20 C PRO A 2 71.804 27.729 1.244 1.00 11.55 C ATOM 21 O PRO A 2 70.947 28.099 0.464 1.00 11.52 O ATOM 22 CB PRO A 2 72.128 25.913 2.988 1.00 13.22 C ATOM 23 CG PRO A 2 71.159 24.821 2.649 1.00 13.65 C ATOM 24 CD PRO A 2 69.774 25.418 2.570 1.00 13.45 C ATOM 0 HA PRO A 2 71.693 28.053 3.315 1.00 12.41 H new ATOM 0 HB2 PRO A 2 73.049 25.808 2.415 1.00 13.22 H new ATOM 0 HB3 PRO A 2 72.403 25.876 4.042 1.00 13.22 H new ATOM 0 HG2 PRO A 2 71.427 24.358 1.699 1.00 13.65 H new ATOM 0 HG3 PRO A 2 71.191 24.037 3.406 1.00 13.65 H new ATOM 0 HD2 PRO A 2 69.305 25.199 1.611 1.00 13.45 H new ATOM 0 HD3 PRO A 2 69.124 25.009 3.344 1.00 13.45 H new ATOM 32 N VAL A 3 73.089 27.741 0.907 1.00 11.06 N ATOM 33 CA VAL A 3 73.483 28.219 -0.469 1.00 10.40 C ATOM 34 C VAL A 3 73.361 27.090 -1.496 1.00 9.72 C ATOM 35 O VAL A 3 73.455 27.320 -2.680 1.00 9.64 O ATOM 36 CB VAL A 3 74.938 28.786 -0.431 1.00 10.53 C ATOM 37 CG1 VAL A 3 74.915 30.230 0.102 1.00 11.40 C ATOM 38 CG2 VAL A 3 75.868 27.934 0.448 1.00 10.60 C ATOM 0 H VAL A 3 73.858 27.448 1.509 1.00 11.06 H new ATOM 0 HA VAL A 3 72.803 29.014 -0.774 1.00 10.40 H new ATOM 0 HB VAL A 3 75.327 28.762 -1.449 1.00 10.53 H new ATOM 0 HG11 VAL A 3 75.931 30.624 0.128 1.00 11.40 H new ATOM 0 HG12 VAL A 3 74.302 30.850 -0.552 1.00 11.40 H new ATOM 0 HG13 VAL A 3 74.496 30.240 1.108 1.00 11.40 H new ATOM 0 HG21 VAL A 3 76.869 28.366 0.444 1.00 10.60 H new ATOM 0 HG22 VAL A 3 75.486 27.913 1.468 1.00 10.60 H new ATOM 0 HG23 VAL A 3 75.910 26.918 0.055 1.00 10.60 H new ATOM 48 N GLY A 4 73.104 25.892 -1.057 1.00 9.48 N ATOM 49 CA GLY A 4 72.917 24.729 -1.995 1.00 9.10 C ATOM 50 C GLY A 4 72.693 23.398 -1.294 1.00 8.56 C ATOM 51 O GLY A 4 72.313 22.438 -1.936 1.00 8.78 O ATOM 0 H GLY A 4 73.012 25.655 -0.069 1.00 9.48 H new ATOM 0 HA2 GLY A 4 72.066 24.933 -2.645 1.00 9.10 H new ATOM 0 HA3 GLY A 4 73.795 24.647 -2.635 1.00 9.10 H new ATOM 55 N ILE A 5 72.911 23.300 0.003 1.00 8.11 N ATOM 56 CA ILE A 5 72.692 21.979 0.674 1.00 7.86 C ATOM 57 C ILE A 5 71.192 21.764 0.844 1.00 7.52 C ATOM 58 O ILE A 5 70.566 22.308 1.733 1.00 7.91 O ATOM 59 CB ILE A 5 73.399 22.072 2.035 1.00 7.98 C ATOM 60 CG1 ILE A 5 74.901 22.236 1.801 1.00 8.69 C ATOM 61 CG2 ILE A 5 73.148 20.789 2.839 1.00 8.05 C ATOM 62 CD1 ILE A 5 75.274 23.722 1.801 1.00 8.94 C ATOM 0 H ILE A 5 73.223 24.059 0.609 1.00 8.11 H new ATOM 0 HA ILE A 5 73.087 21.141 0.100 1.00 7.86 H new ATOM 0 HB ILE A 5 73.011 22.925 2.592 1.00 7.98 H new ATOM 0 HG12 ILE A 5 75.457 21.713 2.579 1.00 8.69 H new ATOM 0 HG13 ILE A 5 75.181 21.783 0.850 1.00 8.69 H new ATOM 0 HG21 ILE A 5 73.651 20.860 3.803 1.00 8.05 H new ATOM 0 HG22 ILE A 5 72.077 20.662 2.997 1.00 8.05 H new ATOM 0 HG23 ILE A 5 73.537 19.933 2.288 1.00 8.05 H new ATOM 0 HD11 ILE A 5 76.346 23.828 1.634 1.00 8.94 H new ATOM 0 HD12 ILE A 5 74.730 24.234 1.007 1.00 8.94 H new ATOM 0 HD13 ILE A 5 75.012 24.163 2.763 1.00 8.94 H new ATOM 74 N ASN A 6 70.610 20.985 -0.029 1.00 7.08 N ATOM 75 CA ASN A 6 69.147 20.752 0.050 1.00 7.12 C ATOM 76 C ASN A 6 68.808 19.674 1.067 1.00 6.49 C ATOM 77 O ASN A 6 69.638 18.884 1.479 1.00 6.75 O ATOM 78 CB ASN A 6 68.728 20.296 -1.353 1.00 7.74 C ATOM 79 CG ASN A 6 67.875 21.381 -2.007 1.00 8.43 C ATOM 80 OD1 ASN A 6 68.110 22.555 -1.807 1.00 8.73 O ATOM 81 ND2 ASN A 6 66.880 21.037 -2.775 1.00 8.95 N ATOM 0 H ASN A 6 71.087 20.503 -0.790 1.00 7.08 H new ATOM 0 HA ASN A 6 68.626 21.655 0.368 1.00 7.12 H new ATOM 0 HB2 ASN A 6 69.610 20.096 -1.961 1.00 7.74 H new ATOM 0 HB3 ASN A 6 68.166 19.364 -1.291 1.00 7.74 H new ATOM 0 HD21 ASN A 6 66.298 21.754 -3.208 1.00 8.95 H new ATOM 0 HD22 ASN A 6 66.683 20.050 -2.943 1.00 8.95 H new ATOM 88 N THR A 7 67.568 19.636 1.439 1.00 6.02 N ATOM 89 CA THR A 7 67.082 18.618 2.390 1.00 5.83 C ATOM 90 C THR A 7 66.557 17.458 1.550 1.00 5.11 C ATOM 91 O THR A 7 65.365 17.249 1.432 1.00 5.16 O ATOM 92 CB THR A 7 65.948 19.307 3.160 1.00 6.68 C ATOM 93 OG1 THR A 7 64.900 19.628 2.249 1.00 7.20 O ATOM 94 CG2 THR A 7 66.466 20.598 3.830 1.00 7.27 C ATOM 0 H THR A 7 66.853 20.287 1.113 1.00 6.02 H new ATOM 0 HA THR A 7 67.835 18.240 3.082 1.00 5.83 H new ATOM 0 HB THR A 7 65.576 18.636 3.935 1.00 6.68 H new ATOM 0 HG1 THR A 7 64.539 18.803 1.862 1.00 7.20 H new ATOM 0 HG21 THR A 7 65.652 21.078 4.373 1.00 7.27 H new ATOM 0 HG22 THR A 7 67.269 20.351 4.524 1.00 7.27 H new ATOM 0 HG23 THR A 7 66.843 21.278 3.066 1.00 7.27 H new ATOM 102 N SER A 8 67.448 16.732 0.931 1.00 4.81 N ATOM 103 CA SER A 8 67.023 15.608 0.050 1.00 4.44 C ATOM 104 C SER A 8 68.077 14.499 0.052 1.00 3.85 C ATOM 105 O SER A 8 69.067 14.571 0.753 1.00 3.96 O ATOM 106 CB SER A 8 66.928 16.230 -1.342 1.00 5.21 C ATOM 107 OG SER A 8 68.220 16.659 -1.752 1.00 5.70 O ATOM 0 H SER A 8 68.456 16.870 0.998 1.00 4.81 H new ATOM 0 HA SER A 8 66.085 15.159 0.378 1.00 4.44 H new ATOM 0 HB2 SER A 8 66.531 15.504 -2.051 1.00 5.21 H new ATOM 0 HB3 SER A 8 66.238 17.074 -1.330 1.00 5.21 H new ATOM 0 HG SER A 8 68.164 17.057 -2.646 1.00 5.70 H new ATOM 113 N THR A 9 67.857 13.472 -0.727 1.00 3.62 N ATOM 114 CA THR A 9 68.823 12.331 -0.793 1.00 3.23 C ATOM 115 C THR A 9 69.912 12.596 -1.844 1.00 2.34 C ATOM 116 O THR A 9 69.990 13.660 -2.428 1.00 2.64 O ATOM 117 CB THR A 9 67.987 11.095 -1.193 1.00 4.03 C ATOM 118 OG1 THR A 9 66.742 11.496 -1.763 1.00 4.71 O ATOM 119 CG2 THR A 9 67.730 10.223 0.042 1.00 4.42 C ATOM 0 H THR A 9 67.039 13.373 -1.328 1.00 3.62 H new ATOM 0 HA THR A 9 69.330 12.188 0.161 1.00 3.23 H new ATOM 0 HB THR A 9 68.544 10.523 -1.935 1.00 4.03 H new ATOM 0 HG1 THR A 9 66.105 11.700 -1.047 1.00 4.71 H new ATOM 0 HG21 THR A 9 67.140 9.352 -0.244 1.00 4.42 H new ATOM 0 HG22 THR A 9 68.682 9.895 0.460 1.00 4.42 H new ATOM 0 HG23 THR A 9 67.185 10.801 0.789 1.00 4.42 H new ATOM 127 N THR A 10 70.741 11.612 -2.088 1.00 1.96 N ATOM 128 CA THR A 10 71.827 11.748 -3.107 1.00 1.80 C ATOM 129 C THR A 10 72.288 10.353 -3.540 1.00 1.33 C ATOM 130 O THR A 10 71.630 9.368 -3.268 1.00 1.36 O ATOM 131 CB THR A 10 72.974 12.506 -2.424 1.00 2.75 C ATOM 132 OG1 THR A 10 74.074 12.598 -3.321 1.00 3.41 O ATOM 133 CG2 THR A 10 73.422 11.769 -1.159 1.00 3.43 C ATOM 0 H THR A 10 70.711 10.707 -1.618 1.00 1.96 H new ATOM 0 HA THR A 10 71.488 12.282 -3.995 1.00 1.80 H new ATOM 0 HB THR A 10 72.625 13.502 -2.151 1.00 2.75 H new ATOM 0 HG1 THR A 10 73.765 12.947 -4.183 1.00 3.41 H new ATOM 0 HG21 THR A 10 74.236 12.319 -0.686 1.00 3.43 H new ATOM 0 HG22 THR A 10 72.584 11.694 -0.466 1.00 3.43 H new ATOM 0 HG23 THR A 10 73.765 10.769 -1.423 1.00 3.43 H new ATOM 141 N CYS A 11 73.411 10.263 -4.210 1.00 1.18 N ATOM 142 CA CYS A 11 73.912 8.930 -4.666 1.00 0.79 C ATOM 143 C CYS A 11 74.957 8.375 -3.695 1.00 0.69 C ATOM 144 O CYS A 11 75.262 8.972 -2.681 1.00 1.01 O ATOM 145 CB CYS A 11 74.557 9.193 -6.028 1.00 0.95 C ATOM 146 SG CYS A 11 73.278 9.655 -7.220 1.00 1.03 S ATOM 0 H CYS A 11 74.002 11.056 -4.461 1.00 1.18 H new ATOM 0 HA CYS A 11 73.107 8.197 -4.717 1.00 0.79 H new ATOM 0 HB2 CYS A 11 75.297 9.989 -5.945 1.00 0.95 H new ATOM 0 HB3 CYS A 11 75.084 8.303 -6.371 1.00 0.95 H new ATOM 151 N CYS A 12 75.510 7.236 -4.018 1.00 0.48 N ATOM 152 CA CYS A 12 76.553 6.609 -3.147 1.00 0.44 C ATOM 153 C CYS A 12 77.461 5.729 -4.012 1.00 0.44 C ATOM 154 O CYS A 12 76.996 4.889 -4.758 1.00 0.46 O ATOM 155 CB CYS A 12 75.794 5.770 -2.107 1.00 0.43 C ATOM 156 SG CYS A 12 74.696 4.579 -2.922 1.00 0.42 S ATOM 0 H CYS A 12 75.282 6.705 -4.859 1.00 0.48 H new ATOM 0 HA CYS A 12 77.183 7.348 -2.652 1.00 0.44 H new ATOM 0 HB2 CYS A 12 76.504 5.241 -1.471 1.00 0.43 H new ATOM 0 HB3 CYS A 12 75.211 6.425 -1.459 1.00 0.43 H new ATOM 161 N TYR A 13 78.752 5.943 -3.945 1.00 0.53 N ATOM 162 CA TYR A 13 79.698 5.151 -4.794 1.00 0.63 C ATOM 163 C TYR A 13 80.285 3.963 -4.031 1.00 0.65 C ATOM 164 O TYR A 13 81.353 3.483 -4.362 1.00 0.76 O ATOM 165 CB TYR A 13 80.807 6.133 -5.171 1.00 0.77 C ATOM 166 CG TYR A 13 80.217 7.280 -5.953 1.00 1.51 C ATOM 167 CD1 TYR A 13 79.990 7.140 -7.324 1.00 2.31 C ATOM 168 CD2 TYR A 13 79.893 8.478 -5.305 1.00 2.47 C ATOM 169 CE1 TYR A 13 79.436 8.199 -8.052 1.00 3.46 C ATOM 170 CE2 TYR A 13 79.341 9.539 -6.033 1.00 3.57 C ATOM 171 CZ TYR A 13 79.112 9.399 -7.406 1.00 3.95 C ATOM 172 OH TYR A 13 78.564 10.442 -8.124 1.00 5.20 O ATOM 0 H TYR A 13 79.193 6.634 -3.338 1.00 0.53 H new ATOM 0 HA TYR A 13 79.191 4.733 -5.663 1.00 0.63 H new ATOM 0 HB2 TYR A 13 81.298 6.506 -4.272 1.00 0.77 H new ATOM 0 HB3 TYR A 13 81.569 5.628 -5.765 1.00 0.77 H new ATOM 0 HD1 TYR A 13 80.242 6.215 -7.822 1.00 2.31 H new ATOM 0 HD2 TYR A 13 80.069 8.584 -4.245 1.00 2.47 H new ATOM 0 HE1 TYR A 13 79.258 8.091 -9.112 1.00 3.46 H new ATOM 0 HE2 TYR A 13 79.092 10.465 -5.535 1.00 3.57 H new ATOM 0 HH TYR A 13 78.398 11.200 -7.525 1.00 5.20 H new ATOM 182 N ARG A 14 79.607 3.482 -3.021 1.00 0.61 N ATOM 183 CA ARG A 14 80.150 2.322 -2.253 1.00 0.67 C ATOM 184 C ARG A 14 79.604 1.008 -2.809 1.00 0.55 C ATOM 185 O ARG A 14 78.411 0.770 -2.810 1.00 0.53 O ATOM 186 CB ARG A 14 79.669 2.511 -0.819 1.00 0.78 C ATOM 187 CG ARG A 14 80.373 3.710 -0.195 1.00 0.96 C ATOM 188 CD ARG A 14 79.882 3.886 1.243 1.00 1.44 C ATOM 189 NE ARG A 14 80.624 5.064 1.775 1.00 1.94 N ATOM 190 CZ ARG A 14 80.498 5.395 3.031 1.00 2.44 C ATOM 191 NH1 ARG A 14 80.934 4.594 3.964 1.00 2.90 N ATOM 192 NH2 ARG A 14 79.929 6.525 3.353 1.00 3.05 N ATOM 0 H ARG A 14 78.708 3.839 -2.697 1.00 0.61 H new ATOM 0 HA ARG A 14 81.237 2.279 -2.319 1.00 0.67 H new ATOM 0 HB2 ARG A 14 78.590 2.663 -0.804 1.00 0.78 H new ATOM 0 HB3 ARG A 14 79.873 1.613 -0.236 1.00 0.78 H new ATOM 0 HG2 ARG A 14 81.453 3.561 -0.208 1.00 0.96 H new ATOM 0 HG3 ARG A 14 80.168 4.610 -0.775 1.00 0.96 H new ATOM 0 HD2 ARG A 14 78.805 4.054 1.272 1.00 1.44 H new ATOM 0 HD3 ARG A 14 80.082 2.995 1.838 1.00 1.44 H new ATOM 0 HE ARG A 14 81.228 5.609 1.160 1.00 1.94 H new ATOM 0 HH11 ARG A 14 81.374 3.709 3.712 1.00 2.90 H new ATOM 0 HH12 ARG A 14 80.835 4.853 4.946 1.00 2.90 H new ATOM 0 HH21 ARG A 14 79.583 7.148 2.623 1.00 3.05 H new ATOM 0 HH22 ARG A 14 79.830 6.785 4.334 1.00 3.05 H new ATOM 206 N PHE A 15 80.477 0.148 -3.259 1.00 0.54 N ATOM 207 CA PHE A 15 80.031 -1.169 -3.795 1.00 0.49 C ATOM 208 C PHE A 15 80.384 -2.254 -2.784 1.00 0.46 C ATOM 209 O PHE A 15 81.544 -2.550 -2.563 1.00 0.50 O ATOM 210 CB PHE A 15 80.824 -1.365 -5.083 1.00 0.57 C ATOM 211 CG PHE A 15 80.459 -0.286 -6.072 1.00 0.62 C ATOM 212 CD1 PHE A 15 81.171 0.918 -6.085 1.00 1.29 C ATOM 213 CD2 PHE A 15 79.409 -0.490 -6.975 1.00 1.45 C ATOM 214 CE1 PHE A 15 80.833 1.921 -7.002 1.00 1.34 C ATOM 215 CE2 PHE A 15 79.072 0.512 -7.893 1.00 1.48 C ATOM 216 CZ PHE A 15 79.784 1.717 -7.906 1.00 0.78 C ATOM 0 H PHE A 15 81.485 0.302 -3.278 1.00 0.54 H new ATOM 0 HA PHE A 15 78.957 -1.213 -3.977 1.00 0.49 H new ATOM 0 HB2 PHE A 15 81.893 -1.332 -4.872 1.00 0.57 H new ATOM 0 HB3 PHE A 15 80.612 -2.347 -5.506 1.00 0.57 H new ATOM 0 HD1 PHE A 15 81.981 1.074 -5.388 1.00 1.29 H new ATOM 0 HD2 PHE A 15 78.859 -1.420 -6.964 1.00 1.45 H new ATOM 0 HE1 PHE A 15 81.381 2.851 -7.012 1.00 1.34 H new ATOM 0 HE2 PHE A 15 78.263 0.355 -8.591 1.00 1.48 H new ATOM 0 HZ PHE A 15 79.524 2.490 -8.614 1.00 0.78 H new ATOM 226 N ILE A 16 79.398 -2.837 -2.160 1.00 0.45 N ATOM 227 CA ILE A 16 79.676 -3.896 -1.150 1.00 0.47 C ATOM 228 C ILE A 16 79.488 -5.282 -1.774 1.00 0.46 C ATOM 229 O ILE A 16 78.409 -5.630 -2.216 1.00 0.46 O ATOM 230 CB ILE A 16 78.664 -3.643 -0.027 1.00 0.53 C ATOM 231 CG1 ILE A 16 78.895 -2.242 0.559 1.00 0.59 C ATOM 232 CG2 ILE A 16 78.841 -4.690 1.076 1.00 0.60 C ATOM 233 CD1 ILE A 16 77.743 -1.883 1.501 1.00 1.16 C ATOM 0 H ILE A 16 78.411 -2.625 -2.306 1.00 0.45 H new ATOM 0 HA ILE A 16 80.700 -3.865 -0.777 1.00 0.47 H new ATOM 0 HB ILE A 16 77.654 -3.712 -0.430 1.00 0.53 H new ATOM 0 HG12 ILE A 16 79.842 -2.214 1.099 1.00 0.59 H new ATOM 0 HG13 ILE A 16 78.964 -1.508 -0.244 1.00 0.59 H new ATOM 0 HG21 ILE A 16 78.119 -4.506 1.872 1.00 0.60 H new ATOM 0 HG22 ILE A 16 78.679 -5.685 0.662 1.00 0.60 H new ATOM 0 HG23 ILE A 16 79.851 -4.625 1.480 1.00 0.60 H new ATOM 0 HD11 ILE A 16 77.909 -0.889 1.916 1.00 1.16 H new ATOM 0 HD12 ILE A 16 76.804 -1.894 0.948 1.00 1.16 H new ATOM 0 HD13 ILE A 16 77.695 -2.611 2.311 1.00 1.16 H new ATOM 245 N ASN A 17 80.532 -6.073 -1.811 1.00 0.49 N ATOM 246 CA ASN A 17 80.423 -7.439 -2.402 1.00 0.54 C ATOM 247 C ASN A 17 80.217 -8.486 -1.299 1.00 0.57 C ATOM 248 O ASN A 17 80.476 -9.657 -1.497 1.00 0.65 O ATOM 249 CB ASN A 17 81.753 -7.673 -3.127 1.00 0.62 C ATOM 250 CG ASN A 17 81.823 -6.797 -4.380 1.00 1.52 C ATOM 251 OD1 ASN A 17 80.806 -6.424 -4.929 1.00 2.40 O ATOM 252 ND2 ASN A 17 82.988 -6.454 -4.861 1.00 2.07 N ATOM 0 H ASN A 17 81.457 -5.829 -1.456 1.00 0.49 H new ATOM 0 HA ASN A 17 79.573 -7.524 -3.079 1.00 0.54 H new ATOM 0 HB2 ASN A 17 82.585 -7.440 -2.463 1.00 0.62 H new ATOM 0 HB3 ASN A 17 81.848 -8.724 -3.401 1.00 0.62 H new ATOM 0 HD21 ASN A 17 83.043 -5.873 -5.698 1.00 2.07 H new ATOM 0 HD22 ASN A 17 83.842 -6.767 -4.400 1.00 2.07 H new ATOM 259 N LYS A 18 79.764 -8.073 -0.136 1.00 0.55 N ATOM 260 CA LYS A 18 79.551 -9.042 0.983 1.00 0.62 C ATOM 261 C LYS A 18 78.068 -9.416 1.094 1.00 0.52 C ATOM 262 O LYS A 18 77.206 -8.714 0.608 1.00 0.48 O ATOM 263 CB LYS A 18 80.003 -8.299 2.241 1.00 0.73 C ATOM 264 CG LYS A 18 81.514 -8.065 2.186 1.00 1.41 C ATOM 265 CD LYS A 18 81.960 -7.322 3.448 1.00 1.73 C ATOM 266 CE LYS A 18 83.471 -7.085 3.398 1.00 2.63 C ATOM 267 NZ LYS A 18 83.750 -6.139 4.515 1.00 2.97 N ATOM 0 H LYS A 18 79.533 -7.104 0.084 1.00 0.55 H new ATOM 0 HA LYS A 18 80.103 -9.970 0.830 1.00 0.62 H new ATOM 0 HB2 LYS A 18 79.480 -7.346 2.320 1.00 0.73 H new ATOM 0 HB3 LYS A 18 79.747 -8.877 3.129 1.00 0.73 H new ATOM 0 HG2 LYS A 18 82.038 -9.018 2.107 1.00 1.41 H new ATOM 0 HG3 LYS A 18 81.771 -7.485 1.299 1.00 1.41 H new ATOM 0 HD2 LYS A 18 81.435 -6.370 3.526 1.00 1.73 H new ATOM 0 HD3 LYS A 18 81.702 -7.902 4.334 1.00 1.73 H new ATOM 0 HE2 LYS A 18 84.021 -8.018 3.524 1.00 2.63 H new ATOM 0 HE3 LYS A 18 83.773 -6.664 2.439 1.00 2.63 H new ATOM 0 HZ1 LYS A 18 84.768 -5.928 4.545 1.00 2.97 H new ATOM 0 HZ2 LYS A 18 83.218 -5.258 4.365 1.00 2.97 H new ATOM 0 HZ3 LYS A 18 83.459 -6.570 5.416 1.00 2.97 H new ATOM 281 N LYS A 19 77.775 -10.520 1.732 1.00 0.51 N ATOM 282 CA LYS A 19 76.350 -10.958 1.883 1.00 0.45 C ATOM 283 C LYS A 19 75.538 -9.915 2.658 1.00 0.42 C ATOM 284 O LYS A 19 76.050 -9.242 3.533 1.00 0.53 O ATOM 285 CB LYS A 19 76.415 -12.263 2.682 1.00 0.55 C ATOM 286 CG LYS A 19 77.023 -13.367 1.817 1.00 1.49 C ATOM 287 CD LYS A 19 77.088 -14.663 2.623 1.00 1.82 C ATOM 288 CE LYS A 19 77.694 -15.769 1.761 1.00 2.56 C ATOM 289 NZ LYS A 19 78.169 -16.795 2.733 1.00 3.06 N ATOM 0 H LYS A 19 78.463 -11.141 2.158 1.00 0.51 H new ATOM 0 HA LYS A 19 75.866 -11.084 0.915 1.00 0.45 H new ATOM 0 HB2 LYS A 19 77.014 -12.121 3.581 1.00 0.55 H new ATOM 0 HB3 LYS A 19 75.416 -12.552 3.007 1.00 0.55 H new ATOM 0 HG2 LYS A 19 76.422 -13.514 0.919 1.00 1.49 H new ATOM 0 HG3 LYS A 19 78.022 -13.079 1.489 1.00 1.49 H new ATOM 0 HD2 LYS A 19 77.689 -14.516 3.520 1.00 1.82 H new ATOM 0 HD3 LYS A 19 76.089 -14.950 2.952 1.00 1.82 H new ATOM 0 HE2 LYS A 19 76.956 -16.186 1.076 1.00 2.56 H new ATOM 0 HE3 LYS A 19 78.515 -15.391 1.153 1.00 2.56 H new ATOM 0 HZ1 LYS A 19 78.599 -17.589 2.217 1.00 3.06 H new ATOM 0 HZ2 LYS A 19 78.876 -16.371 3.368 1.00 3.06 H new ATOM 0 HZ3 LYS A 19 77.364 -17.141 3.293 1.00 3.06 H new ATOM 303 N ILE A 20 74.269 -9.793 2.351 1.00 0.35 N ATOM 304 CA ILE A 20 73.408 -8.814 3.077 1.00 0.41 C ATOM 305 C ILE A 20 72.517 -9.580 4.074 1.00 0.47 C ATOM 306 O ILE A 20 72.085 -10.678 3.782 1.00 0.48 O ATOM 307 CB ILE A 20 72.558 -8.129 1.995 1.00 0.40 C ATOM 308 CG1 ILE A 20 73.471 -7.465 0.954 1.00 0.46 C ATOM 309 CG2 ILE A 20 71.679 -7.058 2.641 1.00 0.51 C ATOM 310 CD1 ILE A 20 72.624 -6.891 -0.191 1.00 0.45 C ATOM 0 H ILE A 20 73.794 -10.332 1.627 1.00 0.35 H new ATOM 0 HA ILE A 20 73.983 -8.080 3.641 1.00 0.41 H new ATOM 0 HB ILE A 20 71.934 -8.878 1.506 1.00 0.40 H new ATOM 0 HG12 ILE A 20 74.053 -6.671 1.421 1.00 0.46 H new ATOM 0 HG13 ILE A 20 74.182 -8.193 0.563 1.00 0.46 H new ATOM 0 HG21 ILE A 20 71.076 -6.571 1.875 1.00 0.51 H new ATOM 0 HG22 ILE A 20 71.024 -7.521 3.379 1.00 0.51 H new ATOM 0 HG23 ILE A 20 72.310 -6.316 3.131 1.00 0.51 H new ATOM 0 HD11 ILE A 20 73.277 -6.421 -0.926 1.00 0.45 H new ATOM 0 HD12 ILE A 20 72.062 -7.695 -0.666 1.00 0.45 H new ATOM 0 HD13 ILE A 20 71.931 -6.149 0.206 1.00 0.45 H new ATOM 322 N PRO A 21 72.277 -8.997 5.228 1.00 0.59 N ATOM 323 CA PRO A 21 71.442 -9.681 6.251 1.00 0.70 C ATOM 324 C PRO A 21 69.981 -9.762 5.799 1.00 0.58 C ATOM 325 O PRO A 21 69.228 -8.814 5.921 1.00 0.52 O ATOM 326 CB PRO A 21 71.591 -8.800 7.489 1.00 0.88 C ATOM 327 CG PRO A 21 71.954 -7.451 6.960 1.00 0.87 C ATOM 328 CD PRO A 21 72.737 -7.678 5.692 1.00 0.71 C ATOM 0 HA PRO A 21 71.751 -10.711 6.431 1.00 0.70 H new ATOM 0 HB2 PRO A 21 70.664 -8.763 8.062 1.00 0.88 H new ATOM 0 HB3 PRO A 21 72.363 -9.184 8.156 1.00 0.88 H new ATOM 0 HG2 PRO A 21 71.060 -6.860 6.762 1.00 0.87 H new ATOM 0 HG3 PRO A 21 72.548 -6.897 7.687 1.00 0.87 H new ATOM 0 HD2 PRO A 21 72.537 -6.902 4.954 1.00 0.71 H new ATOM 0 HD3 PRO A 21 73.811 -7.671 5.878 1.00 0.71 H new ATOM 336 N LYS A 22 69.576 -10.897 5.283 1.00 0.64 N ATOM 337 CA LYS A 22 68.161 -11.063 4.819 1.00 0.62 C ATOM 338 C LYS A 22 67.195 -10.804 5.979 1.00 0.56 C ATOM 339 O LYS A 22 66.157 -10.192 5.811 1.00 0.52 O ATOM 340 CB LYS A 22 68.063 -12.518 4.347 1.00 0.81 C ATOM 341 CG LYS A 22 66.653 -12.804 3.827 1.00 1.19 C ATOM 342 CD LYS A 22 66.567 -14.262 3.371 1.00 1.40 C ATOM 343 CE LYS A 22 65.159 -14.555 2.847 1.00 2.19 C ATOM 344 NZ LYS A 22 65.258 -15.904 2.222 1.00 2.52 N ATOM 0 H LYS A 22 70.167 -11.720 5.162 1.00 0.64 H new ATOM 0 HA LYS A 22 67.900 -10.363 4.025 1.00 0.62 H new ATOM 0 HB2 LYS A 22 68.795 -12.704 3.561 1.00 0.81 H new ATOM 0 HB3 LYS A 22 68.300 -13.193 5.169 1.00 0.81 H new ATOM 0 HG2 LYS A 22 65.919 -12.612 4.609 1.00 1.19 H new ATOM 0 HG3 LYS A 22 66.417 -12.137 2.998 1.00 1.19 H new ATOM 0 HD2 LYS A 22 67.303 -14.453 2.590 1.00 1.40 H new ATOM 0 HD3 LYS A 22 66.803 -14.928 4.201 1.00 1.40 H new ATOM 0 HE2 LYS A 22 64.427 -14.546 3.654 1.00 2.19 H new ATOM 0 HE3 LYS A 22 64.843 -13.805 2.122 1.00 2.19 H new ATOM 0 HZ1 LYS A 22 64.331 -16.178 1.838 1.00 2.52 H new ATOM 0 HZ2 LYS A 22 65.958 -15.880 1.453 1.00 2.52 H new ATOM 0 HZ3 LYS A 22 65.554 -16.597 2.938 1.00 2.52 H new ATOM 358 N GLN A 23 67.535 -11.268 7.153 1.00 0.60 N ATOM 359 CA GLN A 23 66.648 -11.055 8.336 1.00 0.62 C ATOM 360 C GLN A 23 66.458 -9.555 8.599 1.00 0.55 C ATOM 361 O GLN A 23 65.389 -9.116 8.979 1.00 0.57 O ATOM 362 CB GLN A 23 67.363 -11.730 9.509 1.00 0.74 C ATOM 363 CG GLN A 23 66.518 -11.577 10.776 1.00 1.47 C ATOM 364 CD GLN A 23 67.219 -12.258 11.952 1.00 1.89 C ATOM 365 OE1 GLN A 23 68.404 -12.088 12.151 1.00 2.04 O ATOM 366 NE2 GLN A 23 66.527 -13.026 12.747 1.00 2.72 N ATOM 0 H GLN A 23 68.392 -11.787 7.344 1.00 0.60 H new ATOM 0 HA GLN A 23 65.653 -11.473 8.181 1.00 0.62 H new ATOM 0 HB2 GLN A 23 67.524 -12.786 9.292 1.00 0.74 H new ATOM 0 HB3 GLN A 23 68.345 -11.281 9.657 1.00 0.74 H new ATOM 0 HG2 GLN A 23 66.363 -10.521 10.995 1.00 1.47 H new ATOM 0 HG3 GLN A 23 65.533 -12.018 10.623 1.00 1.47 H new ATOM 0 HE21 GLN A 23 65.531 -13.168 12.579 1.00 2.72 H new ATOM 0 HE22 GLN A 23 66.982 -13.484 13.537 1.00 2.72 H new ATOM 375 N ARG A 24 67.490 -8.771 8.412 1.00 0.53 N ATOM 376 CA ARG A 24 67.369 -7.301 8.664 1.00 0.55 C ATOM 377 C ARG A 24 66.935 -6.554 7.392 1.00 0.56 C ATOM 378 O ARG A 24 66.729 -5.356 7.419 1.00 1.05 O ATOM 379 CB ARG A 24 68.765 -6.853 9.109 1.00 0.60 C ATOM 380 CG ARG A 24 69.070 -7.452 10.485 1.00 0.75 C ATOM 381 CD ARG A 24 70.463 -7.014 10.950 1.00 1.05 C ATOM 382 NE ARG A 24 70.654 -7.677 12.273 1.00 1.61 N ATOM 383 CZ ARG A 24 71.567 -7.244 13.100 1.00 1.75 C ATOM 384 NH1 ARG A 24 71.456 -6.059 13.636 1.00 2.23 N ATOM 385 NH2 ARG A 24 72.588 -7.999 13.398 1.00 2.12 N ATOM 0 H ARG A 24 68.408 -9.083 8.097 1.00 0.53 H new ATOM 0 HA ARG A 24 66.611 -7.083 9.417 1.00 0.55 H new ATOM 0 HB2 ARG A 24 69.512 -7.176 8.384 1.00 0.60 H new ATOM 0 HB3 ARG A 24 68.814 -5.765 9.153 1.00 0.60 H new ATOM 0 HG2 ARG A 24 68.319 -7.129 11.206 1.00 0.75 H new ATOM 0 HG3 ARG A 24 69.019 -8.540 10.437 1.00 0.75 H new ATOM 0 HD2 ARG A 24 71.231 -7.321 10.240 1.00 1.05 H new ATOM 0 HD3 ARG A 24 70.527 -5.930 11.039 1.00 1.05 H new ATOM 0 HE ARG A 24 70.069 -8.471 12.532 1.00 1.61 H new ATOM 0 HH11 ARG A 24 70.655 -5.470 13.409 1.00 2.23 H new ATOM 0 HH12 ARG A 24 72.170 -5.722 14.282 1.00 2.23 H new ATOM 0 HH21 ARG A 24 72.673 -8.928 12.985 1.00 2.12 H new ATOM 0 HH22 ARG A 24 73.301 -7.661 14.044 1.00 2.12 H new ATOM 399 N LEU A 25 66.772 -7.246 6.286 1.00 0.41 N ATOM 400 CA LEU A 25 66.329 -6.560 5.035 1.00 0.37 C ATOM 401 C LEU A 25 64.803 -6.446 5.029 1.00 0.36 C ATOM 402 O LEU A 25 64.102 -7.440 5.008 1.00 0.44 O ATOM 403 CB LEU A 25 66.795 -7.463 3.889 1.00 0.43 C ATOM 404 CG LEU A 25 68.279 -7.225 3.596 1.00 0.49 C ATOM 405 CD1 LEU A 25 68.846 -8.421 2.819 1.00 0.71 C ATOM 406 CD2 LEU A 25 68.437 -5.955 2.752 1.00 0.41 C ATOM 0 H LEU A 25 66.927 -8.250 6.199 1.00 0.41 H new ATOM 0 HA LEU A 25 66.738 -5.554 4.947 1.00 0.37 H new ATOM 0 HB2 LEU A 25 66.632 -8.508 4.151 1.00 0.43 H new ATOM 0 HB3 LEU A 25 66.204 -7.263 2.995 1.00 0.43 H new ATOM 0 HG LEU A 25 68.818 -7.110 4.536 1.00 0.49 H new ATOM 0 HD11 LEU A 25 69.902 -8.252 2.610 1.00 0.71 H new ATOM 0 HD12 LEU A 25 68.734 -9.327 3.414 1.00 0.71 H new ATOM 0 HD13 LEU A 25 68.304 -8.535 1.880 1.00 0.71 H new ATOM 0 HD21 LEU A 25 69.493 -5.786 2.544 1.00 0.41 H new ATOM 0 HD22 LEU A 25 67.896 -6.073 1.813 1.00 0.41 H new ATOM 0 HD23 LEU A 25 68.034 -5.102 3.299 1.00 0.41 H new ATOM 418 N GLU A 26 64.284 -5.245 5.045 1.00 0.33 N ATOM 419 CA GLU A 26 62.800 -5.066 5.037 1.00 0.37 C ATOM 420 C GLU A 26 62.361 -4.396 3.741 1.00 0.37 C ATOM 421 O GLU A 26 61.304 -4.678 3.207 1.00 0.62 O ATOM 422 CB GLU A 26 62.494 -4.161 6.231 1.00 0.43 C ATOM 423 CG GLU A 26 62.684 -4.936 7.540 1.00 0.60 C ATOM 424 CD GLU A 26 61.709 -6.119 7.591 1.00 1.25 C ATOM 425 OE1 GLU A 26 60.515 -5.883 7.515 1.00 2.06 O ATOM 426 OE2 GLU A 26 62.176 -7.241 7.706 1.00 1.85 O ATOM 0 H GLU A 26 64.824 -4.380 5.063 1.00 0.33 H new ATOM 0 HA GLU A 26 62.273 -6.018 5.104 1.00 0.37 H new ATOM 0 HB2 GLU A 26 63.150 -3.291 6.216 1.00 0.43 H new ATOM 0 HB3 GLU A 26 61.471 -3.790 6.164 1.00 0.43 H new ATOM 0 HG2 GLU A 26 63.710 -5.296 7.614 1.00 0.60 H new ATOM 0 HG3 GLU A 26 62.515 -4.277 8.391 1.00 0.60 H new ATOM 433 N SER A 27 63.174 -3.513 3.232 1.00 0.37 N ATOM 434 CA SER A 27 62.827 -2.813 1.966 1.00 0.46 C ATOM 435 C SER A 27 64.084 -2.207 1.352 1.00 0.38 C ATOM 436 O SER A 27 65.174 -2.367 1.869 1.00 0.35 O ATOM 437 CB SER A 27 61.845 -1.718 2.372 1.00 0.58 C ATOM 438 OG SER A 27 62.347 -1.039 3.515 1.00 1.54 O ATOM 0 H SER A 27 64.069 -3.245 3.642 1.00 0.37 H new ATOM 0 HA SER A 27 62.396 -3.484 1.223 1.00 0.46 H new ATOM 0 HB2 SER A 27 61.705 -1.016 1.550 1.00 0.58 H new ATOM 0 HB3 SER A 27 60.869 -2.151 2.591 1.00 0.58 H new ATOM 0 HG SER A 27 61.720 -0.333 3.778 1.00 1.54 H new ATOM 444 N TYR A 28 63.941 -1.520 0.253 1.00 0.37 N ATOM 445 CA TYR A 28 65.132 -0.903 -0.402 1.00 0.31 C ATOM 446 C TYR A 28 64.705 0.208 -1.361 1.00 0.32 C ATOM 447 O TYR A 28 63.788 0.044 -2.146 1.00 0.35 O ATOM 448 CB TYR A 28 65.807 -2.046 -1.178 1.00 0.32 C ATOM 449 CG TYR A 28 64.828 -2.651 -2.163 1.00 0.36 C ATOM 450 CD1 TYR A 28 63.947 -3.657 -1.747 1.00 1.34 C ATOM 451 CD2 TYR A 28 64.796 -2.195 -3.486 1.00 1.15 C ATOM 452 CE1 TYR A 28 63.038 -4.210 -2.657 1.00 1.38 C ATOM 453 CE2 TYR A 28 63.887 -2.748 -4.396 1.00 1.15 C ATOM 454 CZ TYR A 28 63.006 -3.757 -3.981 1.00 0.48 C ATOM 455 OH TYR A 28 62.105 -4.304 -4.875 1.00 0.56 O ATOM 0 H TYR A 28 63.052 -1.358 -0.221 1.00 0.37 H new ATOM 0 HA TYR A 28 65.804 -0.451 0.328 1.00 0.31 H new ATOM 0 HB2 TYR A 28 66.683 -1.670 -1.707 1.00 0.32 H new ATOM 0 HB3 TYR A 28 66.157 -2.810 -0.484 1.00 0.32 H new ATOM 0 HD1 TYR A 28 63.969 -4.006 -0.725 1.00 1.34 H new ATOM 0 HD2 TYR A 28 65.473 -1.416 -3.805 1.00 1.15 H new ATOM 0 HE1 TYR A 28 62.360 -4.988 -2.337 1.00 1.38 H new ATOM 0 HE2 TYR A 28 63.864 -2.398 -5.417 1.00 1.15 H new ATOM 0 HH TYR A 28 61.198 -4.010 -4.647 1.00 0.56 H new ATOM 465 N ARG A 29 65.383 1.323 -1.322 1.00 0.32 N ATOM 466 CA ARG A 29 65.039 2.440 -2.254 1.00 0.35 C ATOM 467 C ARG A 29 66.076 2.495 -3.384 1.00 0.31 C ATOM 468 O ARG A 29 67.234 2.187 -3.183 1.00 0.34 O ATOM 469 CB ARG A 29 65.048 3.722 -1.405 1.00 0.42 C ATOM 470 CG ARG A 29 66.453 4.015 -0.864 1.00 0.42 C ATOM 471 CD ARG A 29 66.424 5.298 -0.029 1.00 0.72 C ATOM 472 NE ARG A 29 65.971 6.361 -0.972 1.00 1.31 N ATOM 473 CZ ARG A 29 65.209 7.333 -0.551 1.00 1.71 C ATOM 474 NH1 ARG A 29 64.206 7.083 0.246 1.00 2.20 N ATOM 475 NH2 ARG A 29 65.447 8.556 -0.935 1.00 2.33 N ATOM 0 H ARG A 29 66.159 1.511 -0.687 1.00 0.32 H new ATOM 0 HA ARG A 29 64.064 2.309 -2.724 1.00 0.35 H new ATOM 0 HB2 ARG A 29 64.704 4.563 -2.007 1.00 0.42 H new ATOM 0 HB3 ARG A 29 64.350 3.617 -0.575 1.00 0.42 H new ATOM 0 HG2 ARG A 29 66.801 3.180 -0.255 1.00 0.42 H new ATOM 0 HG3 ARG A 29 67.157 4.122 -1.690 1.00 0.42 H new ATOM 0 HD2 ARG A 29 65.742 5.204 0.816 1.00 0.72 H new ATOM 0 HD3 ARG A 29 67.409 5.526 0.379 1.00 0.72 H new ATOM 0 HE ARG A 29 66.258 6.328 -1.950 1.00 1.31 H new ATOM 0 HH11 ARG A 29 64.016 6.125 0.542 1.00 2.20 H new ATOM 0 HH12 ARG A 29 63.612 7.845 0.573 1.00 2.20 H new ATOM 0 HH21 ARG A 29 66.227 8.751 -1.563 1.00 2.33 H new ATOM 0 HH22 ARG A 29 64.853 9.318 -0.608 1.00 2.33 H new ATOM 489 N ARG A 30 65.666 2.856 -4.573 1.00 0.31 N ATOM 490 CA ARG A 30 66.630 2.902 -5.715 1.00 0.31 C ATOM 491 C ARG A 30 66.991 4.341 -6.071 1.00 0.31 C ATOM 492 O ARG A 30 66.214 5.255 -5.865 1.00 0.43 O ATOM 493 CB ARG A 30 65.904 2.233 -6.880 1.00 0.41 C ATOM 494 CG ARG A 30 65.780 0.736 -6.607 1.00 0.51 C ATOM 495 CD ARG A 30 65.067 0.054 -7.778 1.00 0.67 C ATOM 496 NE ARG A 30 64.960 -1.378 -7.378 1.00 1.42 N ATOM 497 CZ ARG A 30 64.145 -2.174 -8.013 1.00 1.82 C ATOM 498 NH1 ARG A 30 62.879 -2.201 -7.695 1.00 2.33 N ATOM 499 NH2 ARG A 30 64.596 -2.944 -8.965 1.00 2.39 N ATOM 0 H ARG A 30 64.708 3.120 -4.803 1.00 0.31 H new ATOM 0 HA ARG A 30 67.566 2.400 -5.469 1.00 0.31 H new ATOM 0 HB2 ARG A 30 64.915 2.674 -7.008 1.00 0.41 H new ATOM 0 HB3 ARG A 30 66.450 2.401 -7.808 1.00 0.41 H new ATOM 0 HG2 ARG A 30 66.769 0.299 -6.467 1.00 0.51 H new ATOM 0 HG3 ARG A 30 65.224 0.570 -5.684 1.00 0.51 H new ATOM 0 HD2 ARG A 30 64.083 0.491 -7.951 1.00 0.67 H new ATOM 0 HD3 ARG A 30 65.632 0.165 -8.704 1.00 0.67 H new ATOM 0 HE ARG A 30 65.524 -1.736 -6.607 1.00 1.42 H new ATOM 0 HH11 ARG A 30 62.527 -1.600 -6.950 1.00 2.33 H new ATOM 0 HH12 ARG A 30 62.242 -2.823 -8.192 1.00 2.33 H new ATOM 0 HH21 ARG A 30 65.585 -2.923 -9.212 1.00 2.39 H new ATOM 0 HH22 ARG A 30 63.959 -3.567 -9.462 1.00 2.39 H new ATOM 513 N THR A 31 68.165 4.545 -6.610 1.00 0.29 N ATOM 514 CA THR A 31 68.588 5.924 -6.993 1.00 0.38 C ATOM 515 C THR A 31 68.002 6.285 -8.362 1.00 0.44 C ATOM 516 O THR A 31 67.485 5.438 -9.066 1.00 0.48 O ATOM 517 CB THR A 31 70.118 5.881 -7.058 1.00 0.46 C ATOM 518 OG1 THR A 31 70.621 4.991 -6.069 1.00 1.54 O ATOM 519 CG2 THR A 31 70.672 7.283 -6.810 1.00 1.34 C ATOM 0 H THR A 31 68.850 3.814 -6.802 1.00 0.29 H new ATOM 0 HA THR A 31 68.240 6.674 -6.282 1.00 0.38 H new ATOM 0 HB THR A 31 70.427 5.531 -8.043 1.00 0.46 H new ATOM 0 HG1 THR A 31 70.643 4.080 -6.430 1.00 1.54 H new ATOM 0 HG21 THR A 31 71.761 7.257 -6.855 1.00 1.34 H new ATOM 0 HG22 THR A 31 70.293 7.964 -7.572 1.00 1.34 H new ATOM 0 HG23 THR A 31 70.358 7.629 -5.825 1.00 1.34 H new ATOM 527 N THR A 32 68.073 7.537 -8.738 1.00 0.64 N ATOM 528 CA THR A 32 67.513 7.959 -10.057 1.00 0.77 C ATOM 529 C THR A 32 68.615 7.973 -11.123 1.00 0.70 C ATOM 530 O THR A 32 69.612 8.649 -10.987 1.00 0.71 O ATOM 531 CB THR A 32 66.974 9.370 -9.818 1.00 1.06 C ATOM 532 OG1 THR A 32 66.110 9.360 -8.690 1.00 1.69 O ATOM 533 CG2 THR A 32 66.203 9.839 -11.050 1.00 1.67 C ATOM 0 H THR A 32 68.495 8.285 -8.188 1.00 0.64 H new ATOM 0 HA THR A 32 66.739 7.281 -10.416 1.00 0.77 H new ATOM 0 HB THR A 32 67.805 10.051 -9.633 1.00 1.06 H new ATOM 0 HG1 THR A 32 65.765 10.264 -8.534 1.00 1.69 H new ATOM 0 HG21 THR A 32 65.819 10.845 -10.878 1.00 1.67 H new ATOM 0 HG22 THR A 32 66.868 9.847 -11.914 1.00 1.67 H new ATOM 0 HG23 THR A 32 65.371 9.161 -11.238 1.00 1.67 H new ATOM 541 N SER A 33 68.437 7.224 -12.181 1.00 0.73 N ATOM 542 CA SER A 33 69.468 7.177 -13.267 1.00 0.79 C ATOM 543 C SER A 33 69.641 8.555 -13.913 1.00 0.86 C ATOM 544 O SER A 33 70.734 8.952 -14.268 1.00 1.57 O ATOM 545 CB SER A 33 68.932 6.177 -14.290 1.00 0.94 C ATOM 546 OG SER A 33 68.843 4.891 -13.692 1.00 1.65 O ATOM 0 H SER A 33 67.617 6.639 -12.342 1.00 0.73 H new ATOM 0 HA SER A 33 70.445 6.885 -12.880 1.00 0.79 H new ATOM 0 HB2 SER A 33 67.951 6.494 -14.645 1.00 0.94 H new ATOM 0 HB3 SER A 33 69.589 6.141 -15.159 1.00 0.94 H new ATOM 0 HG SER A 33 68.934 4.202 -14.383 1.00 1.65 H new ATOM 552 N SER A 34 68.563 9.273 -14.088 1.00 0.67 N ATOM 553 CA SER A 34 68.646 10.621 -14.739 1.00 0.75 C ATOM 554 C SER A 34 69.479 11.597 -13.898 1.00 0.71 C ATOM 555 O SER A 34 70.246 12.378 -14.433 1.00 0.82 O ATOM 556 CB SER A 34 67.199 11.106 -14.835 1.00 0.98 C ATOM 557 OG SER A 34 66.485 10.269 -15.736 1.00 1.55 O ATOM 0 H SER A 34 67.625 8.986 -13.809 1.00 0.67 H new ATOM 0 HA SER A 34 69.132 10.564 -15.713 1.00 0.75 H new ATOM 0 HB2 SER A 34 66.730 11.086 -13.851 1.00 0.98 H new ATOM 0 HB3 SER A 34 67.171 12.140 -15.180 1.00 0.98 H new ATOM 0 HG SER A 34 65.556 10.575 -15.800 1.00 1.55 H new ATOM 563 N HIS A 35 69.336 11.566 -12.598 1.00 0.80 N ATOM 564 CA HIS A 35 70.121 12.502 -11.734 1.00 0.99 C ATOM 565 C HIS A 35 71.402 11.829 -11.240 1.00 0.93 C ATOM 566 O HIS A 35 72.396 12.483 -10.986 1.00 1.06 O ATOM 567 CB HIS A 35 69.200 12.821 -10.554 1.00 1.28 C ATOM 568 CG HIS A 35 68.022 13.623 -11.035 1.00 1.38 C ATOM 569 ND1 HIS A 35 68.019 15.009 -11.033 1.00 1.96 N ATOM 570 CD2 HIS A 35 66.798 13.247 -11.530 1.00 1.63 C ATOM 571 CE1 HIS A 35 66.827 15.412 -11.511 1.00 1.84 C ATOM 572 NE2 HIS A 35 66.045 14.378 -11.830 1.00 1.56 N ATOM 0 H HIS A 35 68.711 10.935 -12.097 1.00 0.80 H new ATOM 0 HA HIS A 35 70.423 13.399 -12.275 1.00 0.99 H new ATOM 0 HB2 HIS A 35 68.858 11.898 -10.087 1.00 1.28 H new ATOM 0 HB3 HIS A 35 69.747 13.379 -9.794 1.00 1.28 H new ATOM 0 HD2 HIS A 35 66.469 12.227 -11.666 1.00 1.63 H new ATOM 0 HE1 HIS A 35 66.538 16.447 -11.623 1.00 1.84 H new ATOM 0 HE2 HIS A 35 65.100 14.410 -12.211 1.00 1.56 H new ATOM 580 N CYS A 36 71.383 10.530 -11.101 1.00 0.77 N ATOM 581 CA CYS A 36 72.595 9.804 -10.623 1.00 0.72 C ATOM 582 C CYS A 36 73.406 9.278 -11.817 1.00 0.73 C ATOM 583 O CYS A 36 72.836 8.726 -12.739 1.00 0.76 O ATOM 584 CB CYS A 36 72.057 8.643 -9.793 1.00 0.66 C ATOM 585 SG CYS A 36 73.292 8.150 -8.566 1.00 0.73 S ATOM 0 H CYS A 36 70.576 9.938 -11.299 1.00 0.77 H new ATOM 0 HA CYS A 36 73.260 10.447 -10.046 1.00 0.72 H new ATOM 0 HB2 CYS A 36 71.132 8.936 -9.296 1.00 0.66 H new ATOM 0 HB3 CYS A 36 71.817 7.800 -10.441 1.00 0.66 H new ATOM 590 N PRO A 37 74.711 9.452 -11.771 1.00 0.86 N ATOM 591 CA PRO A 37 75.563 8.965 -12.878 1.00 0.97 C ATOM 592 C PRO A 37 75.724 7.442 -12.799 1.00 0.76 C ATOM 593 O PRO A 37 76.015 6.792 -13.786 1.00 0.87 O ATOM 594 CB PRO A 37 76.898 9.673 -12.648 1.00 1.24 C ATOM 595 CG PRO A 37 76.931 9.993 -11.187 1.00 1.26 C ATOM 596 CD PRO A 37 75.505 10.100 -10.713 1.00 1.06 C ATOM 0 HA PRO A 37 75.146 9.173 -13.863 1.00 0.97 H new ATOM 0 HB2 PRO A 37 77.735 9.034 -12.929 1.00 1.24 H new ATOM 0 HB3 PRO A 37 76.972 10.578 -13.250 1.00 1.24 H new ATOM 0 HG2 PRO A 37 77.460 9.215 -10.636 1.00 1.26 H new ATOM 0 HG3 PRO A 37 77.464 10.927 -11.011 1.00 1.26 H new ATOM 0 HD2 PRO A 37 75.368 9.602 -9.753 1.00 1.06 H new ATOM 0 HD3 PRO A 37 75.210 11.140 -10.577 1.00 1.06 H new ATOM 604 N ARG A 38 75.535 6.868 -11.633 1.00 0.61 N ATOM 605 CA ARG A 38 75.675 5.387 -11.490 1.00 0.59 C ATOM 606 C ARG A 38 74.440 4.794 -10.801 1.00 0.42 C ATOM 607 O ARG A 38 74.094 5.168 -9.696 1.00 0.39 O ATOM 608 CB ARG A 38 76.919 5.197 -10.620 1.00 0.81 C ATOM 609 CG ARG A 38 78.155 5.673 -11.387 1.00 1.28 C ATOM 610 CD ARG A 38 78.488 4.674 -12.499 1.00 1.69 C ATOM 611 NE ARG A 38 79.816 5.109 -13.017 1.00 2.24 N ATOM 612 CZ ARG A 38 80.880 4.385 -12.792 1.00 2.78 C ATOM 613 NH1 ARG A 38 80.816 3.083 -12.870 1.00 3.41 N ATOM 614 NH2 ARG A 38 82.010 4.966 -12.493 1.00 3.21 N ATOM 0 H ARG A 38 75.290 7.363 -10.776 1.00 0.61 H new ATOM 0 HA ARG A 38 75.765 4.885 -12.454 1.00 0.59 H new ATOM 0 HB2 ARG A 38 76.816 5.758 -9.691 1.00 0.81 H new ATOM 0 HB3 ARG A 38 77.029 4.147 -10.348 1.00 0.81 H new ATOM 0 HG2 ARG A 38 77.973 6.659 -11.813 1.00 1.28 H new ATOM 0 HG3 ARG A 38 79.001 5.771 -10.707 1.00 1.28 H new ATOM 0 HD2 ARG A 38 78.528 3.654 -12.116 1.00 1.69 H new ATOM 0 HD3 ARG A 38 77.732 4.690 -13.284 1.00 1.69 H new ATOM 0 HE ARG A 38 79.895 5.976 -13.549 1.00 2.24 H new ATOM 0 HH11 ARG A 38 79.934 2.629 -13.107 1.00 3.41 H new ATOM 0 HH12 ARG A 38 81.648 2.520 -12.694 1.00 3.41 H new ATOM 0 HH21 ARG A 38 82.061 5.983 -12.435 1.00 3.21 H new ATOM 0 HH22 ARG A 38 82.842 4.403 -12.317 1.00 3.21 H new ATOM 628 N GLU A 39 73.779 3.864 -11.448 1.00 0.42 N ATOM 629 CA GLU A 39 72.567 3.233 -10.837 1.00 0.37 C ATOM 630 C GLU A 39 72.978 2.340 -9.662 1.00 0.29 C ATOM 631 O GLU A 39 73.875 1.525 -9.774 1.00 0.33 O ATOM 632 CB GLU A 39 71.938 2.398 -11.957 1.00 0.57 C ATOM 633 CG GLU A 39 71.377 3.328 -13.037 1.00 1.32 C ATOM 634 CD GLU A 39 70.749 2.494 -14.157 1.00 1.62 C ATOM 635 OE1 GLU A 39 71.491 2.019 -15.002 1.00 2.26 O ATOM 636 OE2 GLU A 39 69.538 2.348 -14.153 1.00 1.95 O ATOM 0 H GLU A 39 74.027 3.515 -12.374 1.00 0.42 H new ATOM 0 HA GLU A 39 71.868 3.973 -10.447 1.00 0.37 H new ATOM 0 HB2 GLU A 39 72.683 1.730 -12.389 1.00 0.57 H new ATOM 0 HB3 GLU A 39 71.143 1.771 -11.554 1.00 0.57 H new ATOM 0 HG2 GLU A 39 70.631 3.995 -12.605 1.00 1.32 H new ATOM 0 HG3 GLU A 39 72.172 3.956 -13.439 1.00 1.32 H new ATOM 643 N ALA A 40 72.327 2.493 -8.538 1.00 0.24 N ATOM 644 CA ALA A 40 72.665 1.663 -7.345 1.00 0.25 C ATOM 645 C ALA A 40 71.397 1.361 -6.546 1.00 0.23 C ATOM 646 O ALA A 40 70.443 2.120 -6.574 1.00 0.24 O ATOM 647 CB ALA A 40 73.615 2.530 -6.517 1.00 0.30 C ATOM 0 H ALA A 40 71.571 3.162 -8.395 1.00 0.24 H new ATOM 0 HA ALA A 40 73.114 0.708 -7.618 1.00 0.25 H new ATOM 0 HB1 ALA A 40 73.911 1.989 -5.618 1.00 0.30 H new ATOM 0 HB2 ALA A 40 74.501 2.765 -7.107 1.00 0.30 H new ATOM 0 HB3 ALA A 40 73.111 3.454 -6.234 1.00 0.30 H new ATOM 653 N VAL A 41 71.383 0.270 -5.823 1.00 0.23 N ATOM 654 CA VAL A 41 70.184 -0.069 -5.012 1.00 0.24 C ATOM 655 C VAL A 41 70.489 0.195 -3.536 1.00 0.24 C ATOM 656 O VAL A 41 71.560 -0.131 -3.054 1.00 0.24 O ATOM 657 CB VAL A 41 69.912 -1.571 -5.256 1.00 0.25 C ATOM 658 CG1 VAL A 41 69.842 -1.870 -6.756 1.00 0.32 C ATOM 659 CG2 VAL A 41 71.017 -2.433 -4.624 1.00 0.28 C ATOM 0 H VAL A 41 72.152 -0.398 -5.762 1.00 0.23 H new ATOM 0 HA VAL A 41 69.315 0.529 -5.286 1.00 0.24 H new ATOM 0 HB VAL A 41 68.955 -1.814 -4.793 1.00 0.25 H new ATOM 0 HG11 VAL A 41 69.650 -2.932 -6.907 1.00 0.32 H new ATOM 0 HG12 VAL A 41 69.037 -1.288 -7.206 1.00 0.32 H new ATOM 0 HG13 VAL A 41 70.789 -1.602 -7.225 1.00 0.32 H new ATOM 0 HG21 VAL A 41 70.806 -3.487 -4.807 1.00 0.28 H new ATOM 0 HG22 VAL A 41 71.979 -2.173 -5.066 1.00 0.28 H new ATOM 0 HG23 VAL A 41 71.051 -2.251 -3.550 1.00 0.28 H new ATOM 669 N ILE A 42 69.561 0.761 -2.816 1.00 0.25 N ATOM 670 CA ILE A 42 69.807 1.018 -1.372 1.00 0.26 C ATOM 671 C ILE A 42 68.884 0.116 -0.559 1.00 0.26 C ATOM 672 O ILE A 42 67.686 0.087 -0.774 1.00 0.27 O ATOM 673 CB ILE A 42 69.454 2.488 -1.147 1.00 0.31 C ATOM 674 CG1 ILE A 42 70.338 3.378 -2.027 1.00 0.35 C ATOM 675 CG2 ILE A 42 69.686 2.848 0.324 1.00 0.33 C ATOM 676 CD1 ILE A 42 69.805 4.811 -1.985 1.00 0.67 C ATOM 0 H ILE A 42 68.648 1.055 -3.163 1.00 0.25 H new ATOM 0 HA ILE A 42 70.835 0.815 -1.073 1.00 0.26 H new ATOM 0 HB ILE A 42 68.408 2.647 -1.407 1.00 0.31 H new ATOM 0 HG12 ILE A 42 71.369 3.350 -1.674 1.00 0.35 H new ATOM 0 HG13 ILE A 42 70.342 3.008 -3.052 1.00 0.35 H new ATOM 0 HG21 ILE A 42 69.435 3.896 0.486 1.00 0.33 H new ATOM 0 HG22 ILE A 42 69.056 2.222 0.956 1.00 0.33 H new ATOM 0 HG23 ILE A 42 70.733 2.682 0.578 1.00 0.33 H new ATOM 0 HD11 ILE A 42 70.430 5.450 -2.609 1.00 0.67 H new ATOM 0 HD12 ILE A 42 68.781 4.829 -2.357 1.00 0.67 H new ATOM 0 HD13 ILE A 42 69.824 5.176 -0.958 1.00 0.67 H new ATOM 688 N PHE A 43 69.429 -0.614 0.374 1.00 0.25 N ATOM 689 CA PHE A 43 68.580 -1.511 1.200 1.00 0.27 C ATOM 690 C PHE A 43 68.233 -0.808 2.503 1.00 0.30 C ATOM 691 O PHE A 43 69.090 -0.297 3.193 1.00 0.34 O ATOM 692 CB PHE A 43 69.429 -2.754 1.454 1.00 0.28 C ATOM 693 CG PHE A 43 69.389 -3.637 0.230 1.00 0.23 C ATOM 694 CD1 PHE A 43 68.264 -4.434 -0.025 1.00 1.18 C ATOM 695 CD2 PHE A 43 70.477 -3.663 -0.650 1.00 1.25 C ATOM 696 CE1 PHE A 43 68.230 -5.255 -1.158 1.00 1.17 C ATOM 697 CE2 PHE A 43 70.441 -4.484 -1.784 1.00 1.27 C ATOM 698 CZ PHE A 43 69.318 -5.280 -2.037 1.00 0.31 C ATOM 0 H PHE A 43 70.424 -0.627 0.598 1.00 0.25 H new ATOM 0 HA PHE A 43 67.641 -1.774 0.712 1.00 0.27 H new ATOM 0 HB2 PHE A 43 70.457 -2.468 1.678 1.00 0.28 H new ATOM 0 HB3 PHE A 43 69.052 -3.296 2.321 1.00 0.28 H new ATOM 0 HD1 PHE A 43 67.424 -4.414 0.653 1.00 1.18 H new ATOM 0 HD2 PHE A 43 71.344 -3.050 -0.455 1.00 1.25 H new ATOM 0 HE1 PHE A 43 67.364 -5.869 -1.354 1.00 1.17 H new ATOM 0 HE2 PHE A 43 71.280 -4.503 -2.464 1.00 1.27 H new ATOM 0 HZ PHE A 43 69.291 -5.914 -2.911 1.00 0.31 H new ATOM 708 N LYS A 44 66.972 -0.759 2.826 1.00 0.31 N ATOM 709 CA LYS A 44 66.538 -0.059 4.067 1.00 0.35 C ATOM 710 C LYS A 44 66.293 -1.080 5.185 1.00 0.32 C ATOM 711 O LYS A 44 65.534 -2.022 5.031 1.00 0.34 O ATOM 712 CB LYS A 44 65.243 0.648 3.655 1.00 0.44 C ATOM 713 CG LYS A 44 65.538 1.631 2.513 1.00 0.61 C ATOM 714 CD LYS A 44 64.250 2.342 2.094 1.00 1.03 C ATOM 715 CE LYS A 44 63.302 1.342 1.422 1.00 1.92 C ATOM 716 NZ LYS A 44 61.959 1.649 1.987 1.00 2.30 N ATOM 0 H LYS A 44 66.218 -1.176 2.280 1.00 0.31 H new ATOM 0 HA LYS A 44 67.279 0.641 4.454 1.00 0.35 H new ATOM 0 HB2 LYS A 44 64.502 -0.085 3.336 1.00 0.44 H new ATOM 0 HB3 LYS A 44 64.820 1.180 4.507 1.00 0.44 H new ATOM 0 HG2 LYS A 44 66.280 2.362 2.833 1.00 0.61 H new ATOM 0 HG3 LYS A 44 65.963 1.098 1.663 1.00 0.61 H new ATOM 0 HD2 LYS A 44 63.768 2.785 2.965 1.00 1.03 H new ATOM 0 HD3 LYS A 44 64.480 3.157 1.408 1.00 1.03 H new ATOM 0 HE2 LYS A 44 63.310 1.457 0.338 1.00 1.92 H new ATOM 0 HE3 LYS A 44 63.595 0.314 1.636 1.00 1.92 H new ATOM 0 HZ1 LYS A 44 61.244 1.051 1.526 1.00 2.30 H new ATOM 0 HZ2 LYS A 44 61.961 1.460 3.010 1.00 2.30 H new ATOM 0 HZ3 LYS A 44 61.733 2.650 1.821 1.00 2.30 H new ATOM 730 N THR A 45 66.956 -0.904 6.304 1.00 0.34 N ATOM 731 CA THR A 45 66.801 -1.865 7.443 1.00 0.38 C ATOM 732 C THR A 45 65.864 -1.300 8.523 1.00 0.44 C ATOM 733 O THR A 45 65.502 -0.140 8.502 1.00 0.45 O ATOM 734 CB THR A 45 68.217 -2.027 7.999 1.00 0.43 C ATOM 735 OG1 THR A 45 69.096 -2.400 6.947 1.00 1.19 O ATOM 736 CG2 THR A 45 68.236 -3.106 9.082 1.00 1.23 C ATOM 0 H THR A 45 67.600 -0.133 6.478 1.00 0.34 H new ATOM 0 HA THR A 45 66.362 -2.810 7.123 1.00 0.38 H new ATOM 0 HB THR A 45 68.540 -1.081 8.433 1.00 0.43 H new ATOM 0 HG1 THR A 45 69.465 -1.595 6.528 1.00 1.19 H new ATOM 0 HG21 THR A 45 69.249 -3.213 9.471 1.00 1.23 H new ATOM 0 HG22 THR A 45 67.565 -2.821 9.892 1.00 1.23 H new ATOM 0 HG23 THR A 45 67.908 -4.055 8.656 1.00 1.23 H new ATOM 744 N LYS A 46 65.469 -2.126 9.460 1.00 0.55 N ATOM 745 CA LYS A 46 64.549 -1.671 10.554 1.00 0.63 C ATOM 746 C LYS A 46 65.192 -0.565 11.396 1.00 0.57 C ATOM 747 O LYS A 46 64.506 0.220 12.022 1.00 0.64 O ATOM 748 CB LYS A 46 64.323 -2.905 11.423 1.00 0.83 C ATOM 749 CG LYS A 46 63.479 -3.927 10.666 1.00 1.05 C ATOM 750 CD LYS A 46 63.267 -5.156 11.550 1.00 1.61 C ATOM 751 CE LYS A 46 62.425 -6.186 10.797 1.00 2.43 C ATOM 752 NZ LYS A 46 62.273 -7.325 11.744 1.00 2.91 N ATOM 0 H LYS A 46 65.746 -3.106 9.516 1.00 0.55 H new ATOM 0 HA LYS A 46 63.624 -1.264 10.146 1.00 0.63 H new ATOM 0 HB2 LYS A 46 65.281 -3.345 11.700 1.00 0.83 H new ATOM 0 HB3 LYS A 46 63.823 -2.622 12.349 1.00 0.83 H new ATOM 0 HG2 LYS A 46 62.518 -3.491 10.391 1.00 1.05 H new ATOM 0 HG3 LYS A 46 63.976 -4.212 9.739 1.00 1.05 H new ATOM 0 HD2 LYS A 46 64.229 -5.589 11.826 1.00 1.61 H new ATOM 0 HD3 LYS A 46 62.768 -4.870 12.476 1.00 1.61 H new ATOM 0 HE2 LYS A 46 61.456 -5.774 10.516 1.00 2.43 H new ATOM 0 HE3 LYS A 46 62.917 -6.501 9.876 1.00 2.43 H new ATOM 0 HZ1 LYS A 46 61.705 -8.074 11.298 1.00 2.91 H new ATOM 0 HZ2 LYS A 46 63.211 -7.701 11.988 1.00 2.91 H new ATOM 0 HZ3 LYS A 46 61.796 -6.997 12.608 1.00 2.91 H new ATOM 766 N LEU A 47 66.499 -0.507 11.433 1.00 0.52 N ATOM 767 CA LEU A 47 67.179 0.538 12.260 1.00 0.57 C ATOM 768 C LEU A 47 67.539 1.753 11.404 1.00 0.52 C ATOM 769 O LEU A 47 68.506 2.441 11.664 1.00 0.59 O ATOM 770 CB LEU A 47 68.445 -0.136 12.790 1.00 0.68 C ATOM 771 CG LEU A 47 68.061 -1.212 13.805 1.00 0.87 C ATOM 772 CD1 LEU A 47 69.300 -2.029 14.178 1.00 1.68 C ATOM 773 CD2 LEU A 47 67.493 -0.545 15.060 1.00 1.38 C ATOM 0 H LEU A 47 67.124 -1.136 10.928 1.00 0.52 H new ATOM 0 HA LEU A 47 66.539 0.900 13.065 1.00 0.57 H new ATOM 0 HB2 LEU A 47 69.005 -0.580 11.967 1.00 0.68 H new ATOM 0 HB3 LEU A 47 69.096 0.604 13.256 1.00 0.68 H new ATOM 0 HG LEU A 47 67.310 -1.872 13.370 1.00 0.87 H new ATOM 0 HD11 LEU A 47 69.026 -2.796 14.902 1.00 1.68 H new ATOM 0 HD12 LEU A 47 69.706 -2.502 13.284 1.00 1.68 H new ATOM 0 HD13 LEU A 47 70.052 -1.371 14.614 1.00 1.68 H new ATOM 0 HD21 LEU A 47 67.218 -1.310 15.786 1.00 1.38 H new ATOM 0 HD22 LEU A 47 68.245 0.114 15.494 1.00 1.38 H new ATOM 0 HD23 LEU A 47 66.611 0.037 14.795 1.00 1.38 H new ATOM 785 N ASP A 48 66.765 2.021 10.379 1.00 0.51 N ATOM 786 CA ASP A 48 67.044 3.193 9.487 1.00 0.57 C ATOM 787 C ASP A 48 68.480 3.134 8.961 1.00 0.54 C ATOM 788 O ASP A 48 69.137 4.147 8.807 1.00 0.64 O ATOM 789 CB ASP A 48 66.838 4.440 10.353 1.00 0.72 C ATOM 790 CG ASP A 48 65.351 4.597 10.687 1.00 0.81 C ATOM 791 OD1 ASP A 48 64.531 4.152 9.899 1.00 1.35 O ATOM 792 OD2 ASP A 48 65.058 5.161 11.728 1.00 1.38 O ATOM 0 H ASP A 48 65.945 1.473 10.120 1.00 0.51 H new ATOM 0 HA ASP A 48 66.386 3.200 8.618 1.00 0.57 H new ATOM 0 HB2 ASP A 48 67.420 4.357 11.271 1.00 0.72 H new ATOM 0 HB3 ASP A 48 67.198 5.324 9.826 1.00 0.72 H new ATOM 797 N LYS A 49 68.960 1.952 8.673 1.00 0.45 N ATOM 798 CA LYS A 49 70.341 1.812 8.139 1.00 0.46 C ATOM 799 C LYS A 49 70.262 1.529 6.642 1.00 0.40 C ATOM 800 O LYS A 49 69.843 0.465 6.222 1.00 0.37 O ATOM 801 CB LYS A 49 70.938 0.621 8.889 1.00 0.52 C ATOM 802 CG LYS A 49 71.161 1.000 10.355 1.00 1.28 C ATOM 803 CD LYS A 49 71.756 -0.194 11.104 1.00 1.53 C ATOM 804 CE LYS A 49 71.982 0.177 12.574 1.00 2.28 C ATOM 805 NZ LYS A 49 73.342 0.787 12.618 1.00 2.46 N ATOM 0 H LYS A 49 68.450 1.076 8.786 1.00 0.45 H new ATOM 0 HA LYS A 49 70.948 2.707 8.274 1.00 0.46 H new ATOM 0 HB2 LYS A 49 70.269 -0.237 8.822 1.00 0.52 H new ATOM 0 HB3 LYS A 49 71.882 0.326 8.431 1.00 0.52 H new ATOM 0 HG2 LYS A 49 71.832 1.857 10.423 1.00 1.28 H new ATOM 0 HG3 LYS A 49 70.217 1.297 10.813 1.00 1.28 H new ATOM 0 HD2 LYS A 49 71.085 -1.050 11.034 1.00 1.53 H new ATOM 0 HD3 LYS A 49 72.699 -0.490 10.645 1.00 1.53 H new ATOM 0 HE2 LYS A 49 71.224 0.878 12.924 1.00 2.28 H new ATOM 0 HE3 LYS A 49 71.924 -0.702 13.216 1.00 2.28 H new ATOM 0 HZ1 LYS A 49 73.566 1.066 13.595 1.00 2.46 H new ATOM 0 HZ2 LYS A 49 74.044 0.095 12.286 1.00 2.46 H new ATOM 0 HZ3 LYS A 49 73.366 1.626 12.004 1.00 2.46 H new ATOM 819 N GLU A 50 70.644 2.485 5.837 1.00 0.43 N ATOM 820 CA GLU A 50 70.577 2.295 4.363 1.00 0.39 C ATOM 821 C GLU A 50 71.957 1.927 3.821 1.00 0.38 C ATOM 822 O GLU A 50 72.918 2.649 4.005 1.00 0.49 O ATOM 823 CB GLU A 50 70.119 3.648 3.813 1.00 0.48 C ATOM 824 CG GLU A 50 68.743 3.994 4.395 1.00 0.53 C ATOM 825 CD GLU A 50 68.258 5.350 3.862 1.00 0.86 C ATOM 826 OE1 GLU A 50 69.047 6.052 3.247 1.00 1.62 O ATOM 827 OE2 GLU A 50 67.099 5.664 4.080 1.00 1.40 O ATOM 0 H GLU A 50 71.000 3.391 6.140 1.00 0.43 H new ATOM 0 HA GLU A 50 69.900 1.491 4.074 1.00 0.39 H new ATOM 0 HB2 GLU A 50 70.841 4.422 4.073 1.00 0.48 H new ATOM 0 HB3 GLU A 50 70.067 3.612 2.725 1.00 0.48 H new ATOM 0 HG2 GLU A 50 68.025 3.216 4.134 1.00 0.53 H new ATOM 0 HG3 GLU A 50 68.799 4.023 5.483 1.00 0.53 H new ATOM 834 N ILE A 51 72.060 0.803 3.164 1.00 0.31 N ATOM 835 CA ILE A 51 73.378 0.370 2.611 1.00 0.33 C ATOM 836 C ILE A 51 73.268 0.169 1.098 1.00 0.31 C ATOM 837 O ILE A 51 72.412 -0.552 0.618 1.00 0.59 O ATOM 838 CB ILE A 51 73.688 -0.943 3.338 1.00 0.38 C ATOM 839 CG1 ILE A 51 73.780 -0.670 4.844 1.00 0.48 C ATOM 840 CG2 ILE A 51 75.021 -1.516 2.846 1.00 0.45 C ATOM 841 CD1 ILE A 51 73.802 -1.993 5.605 1.00 1.34 C ATOM 0 H ILE A 51 71.286 0.163 2.985 1.00 0.31 H new ATOM 0 HA ILE A 51 74.169 1.104 2.763 1.00 0.33 H new ATOM 0 HB ILE A 51 72.895 -1.663 3.135 1.00 0.38 H new ATOM 0 HG12 ILE A 51 74.680 -0.097 5.065 1.00 0.48 H new ATOM 0 HG13 ILE A 51 72.931 -0.067 5.167 1.00 0.48 H new ATOM 0 HG21 ILE A 51 75.231 -2.449 3.369 1.00 0.45 H new ATOM 0 HG22 ILE A 51 74.962 -1.706 1.774 1.00 0.45 H new ATOM 0 HG23 ILE A 51 75.820 -0.801 3.044 1.00 0.45 H new ATOM 0 HD11 ILE A 51 73.867 -1.796 6.675 1.00 1.34 H new ATOM 0 HD12 ILE A 51 72.889 -2.550 5.394 1.00 1.34 H new ATOM 0 HD13 ILE A 51 74.665 -2.579 5.290 1.00 1.34 H new ATOM 853 N CYS A 52 74.126 0.812 0.348 1.00 0.43 N ATOM 854 CA CYS A 52 74.078 0.679 -1.139 1.00 0.37 C ATOM 855 C CYS A 52 74.684 -0.655 -1.572 1.00 0.36 C ATOM 856 O CYS A 52 75.640 -1.132 -0.988 1.00 0.42 O ATOM 857 CB CYS A 52 74.921 1.838 -1.675 1.00 0.38 C ATOM 858 SG CYS A 52 74.044 3.399 -1.417 1.00 0.44 S ATOM 0 H CYS A 52 74.860 1.425 0.703 1.00 0.43 H new ATOM 0 HA CYS A 52 73.056 0.707 -1.516 1.00 0.37 H new ATOM 0 HB2 CYS A 52 75.886 1.864 -1.168 1.00 0.38 H new ATOM 0 HB3 CYS A 52 75.122 1.694 -2.737 1.00 0.38 H new ATOM 863 N ALA A 53 74.138 -1.255 -2.596 1.00 0.34 N ATOM 864 CA ALA A 53 74.680 -2.556 -3.081 1.00 0.37 C ATOM 865 C ALA A 53 74.867 -2.506 -4.599 1.00 0.33 C ATOM 866 O ALA A 53 74.029 -1.998 -5.321 1.00 0.27 O ATOM 867 CB ALA A 53 73.630 -3.595 -2.687 1.00 0.44 C ATOM 0 H ALA A 53 73.338 -0.898 -3.118 1.00 0.34 H new ATOM 0 HA ALA A 53 75.654 -2.793 -2.652 1.00 0.37 H new ATOM 0 HB1 ALA A 53 73.957 -4.583 -3.011 1.00 0.44 H new ATOM 0 HB2 ALA A 53 73.503 -3.591 -1.604 1.00 0.44 H new ATOM 0 HB3 ALA A 53 72.681 -3.352 -3.165 1.00 0.44 H new ATOM 873 N ASP A 54 75.968 -3.019 -5.082 1.00 0.43 N ATOM 874 CA ASP A 54 76.236 -2.998 -6.555 1.00 0.46 C ATOM 875 C ASP A 54 75.128 -3.747 -7.318 1.00 0.45 C ATOM 876 O ASP A 54 74.944 -4.931 -7.110 1.00 0.54 O ATOM 877 CB ASP A 54 77.575 -3.723 -6.715 1.00 0.63 C ATOM 878 CG ASP A 54 78.083 -3.560 -8.149 1.00 0.69 C ATOM 879 OD1 ASP A 54 77.885 -2.495 -8.709 1.00 1.37 O ATOM 880 OD2 ASP A 54 78.661 -4.504 -8.661 1.00 1.13 O ATOM 0 H ASP A 54 76.698 -3.454 -4.518 1.00 0.43 H new ATOM 0 HA ASP A 54 76.261 -1.984 -6.954 1.00 0.46 H new ATOM 0 HB2 ASP A 54 78.304 -3.319 -6.013 1.00 0.63 H new ATOM 0 HB3 ASP A 54 77.457 -4.781 -6.479 1.00 0.63 H new ATOM 885 N PRO A 55 74.423 -3.050 -8.190 1.00 0.39 N ATOM 886 CA PRO A 55 73.348 -3.707 -8.965 1.00 0.45 C ATOM 887 C PRO A 55 73.948 -4.462 -10.153 1.00 0.58 C ATOM 888 O PRO A 55 74.184 -3.896 -11.205 1.00 1.19 O ATOM 889 CB PRO A 55 72.486 -2.548 -9.448 1.00 0.40 C ATOM 890 CG PRO A 55 73.397 -1.360 -9.482 1.00 0.34 C ATOM 891 CD PRO A 55 74.542 -1.623 -8.531 1.00 0.35 C ATOM 0 HA PRO A 55 72.783 -4.435 -8.383 1.00 0.45 H new ATOM 0 HB2 PRO A 55 72.070 -2.752 -10.435 1.00 0.40 H new ATOM 0 HB3 PRO A 55 71.644 -2.378 -8.777 1.00 0.40 H new ATOM 0 HG2 PRO A 55 73.771 -1.195 -10.492 1.00 0.34 H new ATOM 0 HG3 PRO A 55 72.859 -0.458 -9.190 1.00 0.34 H new ATOM 0 HD2 PRO A 55 75.503 -1.406 -8.998 1.00 0.35 H new ATOM 0 HD3 PRO A 55 74.471 -0.996 -7.642 1.00 0.35 H new ATOM 899 N THR A 56 74.198 -5.734 -9.989 1.00 0.61 N ATOM 900 CA THR A 56 74.783 -6.539 -11.101 1.00 0.62 C ATOM 901 C THR A 56 74.391 -8.009 -10.948 1.00 0.56 C ATOM 902 O THR A 56 73.920 -8.635 -11.878 1.00 0.51 O ATOM 903 CB THR A 56 76.297 -6.369 -10.961 1.00 0.81 C ATOM 904 OG1 THR A 56 76.620 -4.985 -10.947 1.00 1.62 O ATOM 905 CG2 THR A 56 76.998 -7.047 -12.139 1.00 1.58 C ATOM 0 H THR A 56 74.021 -6.252 -9.129 1.00 0.61 H new ATOM 0 HA THR A 56 74.427 -6.215 -12.079 1.00 0.62 H new ATOM 0 HB THR A 56 76.629 -6.827 -10.030 1.00 0.81 H new ATOM 0 HG1 THR A 56 75.885 -4.474 -11.346 1.00 1.62 H new ATOM 0 HG21 THR A 56 78.077 -6.926 -12.039 1.00 1.58 H new ATOM 0 HG22 THR A 56 76.751 -8.109 -12.147 1.00 1.58 H new ATOM 0 HG23 THR A 56 76.666 -6.590 -13.072 1.00 1.58 H new ATOM 913 N GLN A 57 74.585 -8.560 -9.778 1.00 0.64 N ATOM 914 CA GLN A 57 74.230 -9.990 -9.548 1.00 0.66 C ATOM 915 C GLN A 57 72.757 -10.117 -9.134 1.00 0.57 C ATOM 916 O GLN A 57 72.209 -9.258 -8.473 1.00 0.48 O ATOM 917 CB GLN A 57 75.163 -10.453 -8.434 1.00 0.84 C ATOM 918 CG GLN A 57 76.592 -10.555 -8.972 1.00 1.04 C ATOM 919 CD GLN A 57 77.553 -10.871 -7.824 1.00 1.48 C ATOM 920 OE1 GLN A 57 77.234 -10.662 -6.670 1.00 2.03 O ATOM 921 NE2 GLN A 57 78.728 -11.367 -8.094 1.00 1.95 N ATOM 0 H GLN A 57 74.976 -8.078 -8.969 1.00 0.64 H new ATOM 0 HA GLN A 57 74.346 -10.598 -10.445 1.00 0.66 H new ATOM 0 HB2 GLN A 57 75.127 -9.752 -7.600 1.00 0.84 H new ATOM 0 HB3 GLN A 57 74.837 -11.420 -8.052 1.00 0.84 H new ATOM 0 HG2 GLN A 57 76.650 -11.334 -9.733 1.00 1.04 H new ATOM 0 HG3 GLN A 57 76.878 -9.619 -9.452 1.00 1.04 H new ATOM 0 HE21 GLN A 57 78.997 -11.543 -9.062 1.00 1.95 H new ATOM 0 HE22 GLN A 57 79.378 -11.579 -7.337 1.00 1.95 H new ATOM 930 N LYS A 58 72.118 -11.177 -9.548 1.00 0.63 N ATOM 931 CA LYS A 58 70.668 -11.394 -9.224 1.00 0.59 C ATOM 932 C LYS A 58 70.386 -11.496 -7.715 1.00 0.50 C ATOM 933 O LYS A 58 69.278 -11.248 -7.292 1.00 0.47 O ATOM 934 CB LYS A 58 70.304 -12.715 -9.901 1.00 0.73 C ATOM 935 CG LYS A 58 70.312 -12.540 -11.420 1.00 1.50 C ATOM 936 CD LYS A 58 69.933 -13.864 -12.087 1.00 1.86 C ATOM 937 CE LYS A 58 69.941 -13.688 -13.607 1.00 2.93 C ATOM 938 NZ LYS A 58 69.589 -15.029 -14.151 1.00 3.38 N ATOM 0 H LYS A 58 72.542 -11.917 -10.107 1.00 0.63 H new ATOM 0 HA LYS A 58 70.080 -10.545 -9.572 1.00 0.59 H new ATOM 0 HB2 LYS A 58 71.014 -13.490 -9.612 1.00 0.73 H new ATOM 0 HB3 LYS A 58 69.319 -13.045 -9.569 1.00 0.73 H new ATOM 0 HG2 LYS A 58 69.609 -11.759 -11.711 1.00 1.50 H new ATOM 0 HG3 LYS A 58 71.299 -12.221 -11.755 1.00 1.50 H new ATOM 0 HD2 LYS A 58 70.636 -14.645 -11.797 1.00 1.86 H new ATOM 0 HD3 LYS A 58 68.946 -14.183 -11.752 1.00 1.86 H new ATOM 0 HE2 LYS A 58 69.220 -12.933 -13.921 1.00 2.93 H new ATOM 0 HE3 LYS A 58 70.919 -13.362 -13.962 1.00 2.93 H new ATOM 0 HZ1 LYS A 58 69.574 -14.989 -15.190 1.00 3.38 H new ATOM 0 HZ2 LYS A 58 70.296 -15.726 -13.841 1.00 3.38 H new ATOM 0 HZ3 LYS A 58 68.650 -15.310 -13.802 1.00 3.38 H new ATOM 952 N TRP A 59 71.337 -11.911 -6.905 1.00 0.50 N ATOM 953 CA TRP A 59 71.048 -12.078 -5.432 1.00 0.46 C ATOM 954 C TRP A 59 70.346 -10.844 -4.818 1.00 0.35 C ATOM 955 O TRP A 59 69.434 -10.999 -4.027 1.00 0.35 O ATOM 956 CB TRP A 59 72.404 -12.374 -4.756 1.00 0.52 C ATOM 957 CG TRP A 59 73.266 -11.151 -4.696 1.00 0.46 C ATOM 958 CD1 TRP A 59 73.651 -10.422 -5.759 1.00 0.45 C ATOM 959 CD2 TRP A 59 73.861 -10.517 -3.530 1.00 0.48 C ATOM 960 NE1 TRP A 59 74.437 -9.372 -5.326 1.00 0.46 N ATOM 961 CE2 TRP A 59 74.597 -9.387 -3.957 1.00 0.48 C ATOM 962 CE3 TRP A 59 73.829 -10.807 -2.158 1.00 0.56 C ATOM 963 CZ2 TRP A 59 75.278 -8.573 -3.052 1.00 0.55 C ATOM 964 CZ3 TRP A 59 74.513 -9.991 -1.245 1.00 0.62 C ATOM 965 CH2 TRP A 59 75.235 -8.876 -1.692 1.00 0.61 C ATOM 0 H TRP A 59 72.289 -12.139 -7.191 1.00 0.50 H new ATOM 0 HA TRP A 59 70.345 -12.896 -5.272 1.00 0.46 H new ATOM 0 HB2 TRP A 59 72.234 -12.751 -3.747 1.00 0.52 H new ATOM 0 HB3 TRP A 59 72.922 -13.159 -5.306 1.00 0.52 H new ATOM 0 HD1 TRP A 59 73.388 -10.625 -6.787 1.00 0.45 H new ATOM 0 HE1 TRP A 59 74.848 -8.672 -5.943 1.00 0.46 H new ATOM 0 HE3 TRP A 59 73.275 -11.663 -1.803 1.00 0.56 H new ATOM 0 HZ2 TRP A 59 75.834 -7.716 -3.402 1.00 0.55 H new ATOM 0 HZ3 TRP A 59 74.483 -10.223 -0.191 1.00 0.62 H new ATOM 0 HH2 TRP A 59 75.758 -8.252 -0.983 1.00 0.61 H new ATOM 976 N VAL A 60 70.725 -9.637 -5.182 1.00 0.31 N ATOM 977 CA VAL A 60 70.024 -8.445 -4.607 1.00 0.25 C ATOM 978 C VAL A 60 68.659 -8.330 -5.273 1.00 0.26 C ATOM 979 O VAL A 60 67.662 -8.077 -4.630 1.00 0.26 O ATOM 980 CB VAL A 60 70.908 -7.218 -4.911 1.00 0.30 C ATOM 981 CG1 VAL A 60 72.305 -7.420 -4.314 1.00 0.36 C ATOM 982 CG2 VAL A 60 71.023 -6.994 -6.425 1.00 0.39 C ATOM 0 H VAL A 60 71.476 -9.430 -5.841 1.00 0.31 H new ATOM 0 HA VAL A 60 69.871 -8.524 -3.531 1.00 0.25 H new ATOM 0 HB VAL A 60 70.444 -6.340 -4.462 1.00 0.30 H new ATOM 0 HG11 VAL A 60 72.924 -6.550 -4.533 1.00 0.36 H new ATOM 0 HG12 VAL A 60 72.225 -7.546 -3.234 1.00 0.36 H new ATOM 0 HG13 VAL A 60 72.762 -8.308 -4.750 1.00 0.36 H new ATOM 0 HG21 VAL A 60 71.651 -6.124 -6.617 1.00 0.39 H new ATOM 0 HG22 VAL A 60 71.469 -7.873 -6.890 1.00 0.39 H new ATOM 0 HG23 VAL A 60 70.031 -6.826 -6.844 1.00 0.39 H new ATOM 992 N GLN A 61 68.609 -8.569 -6.561 1.00 0.31 N ATOM 993 CA GLN A 61 67.305 -8.530 -7.290 1.00 0.37 C ATOM 994 C GLN A 61 66.388 -9.584 -6.670 1.00 0.37 C ATOM 995 O GLN A 61 65.208 -9.373 -6.469 1.00 0.39 O ATOM 996 CB GLN A 61 67.653 -8.887 -8.737 1.00 0.46 C ATOM 997 CG GLN A 61 68.441 -7.736 -9.369 1.00 0.50 C ATOM 998 CD GLN A 61 68.976 -8.161 -10.742 1.00 0.61 C ATOM 999 OE1 GLN A 61 68.906 -9.318 -11.110 1.00 0.88 O ATOM 1000 NE2 GLN A 61 69.517 -7.264 -11.520 1.00 0.75 N ATOM 0 H GLN A 61 69.419 -8.790 -7.140 1.00 0.31 H new ATOM 0 HA GLN A 61 66.797 -7.567 -7.237 1.00 0.37 H new ATOM 0 HB2 GLN A 61 68.241 -9.804 -8.766 1.00 0.46 H new ATOM 0 HB3 GLN A 61 66.742 -9.075 -9.306 1.00 0.46 H new ATOM 0 HG2 GLN A 61 67.801 -6.860 -9.474 1.00 0.50 H new ATOM 0 HG3 GLN A 61 69.268 -7.450 -8.719 1.00 0.50 H new ATOM 0 HE21 GLN A 61 69.577 -6.293 -11.214 1.00 0.75 H new ATOM 0 HE22 GLN A 61 69.880 -7.534 -12.434 1.00 0.75 H new ATOM 1009 N ASP A 62 66.960 -10.711 -6.337 1.00 0.37 N ATOM 1010 CA ASP A 62 66.185 -11.800 -5.681 1.00 0.42 C ATOM 1011 C ASP A 62 65.676 -11.298 -4.332 1.00 0.37 C ATOM 1012 O ASP A 62 64.542 -11.527 -3.954 1.00 0.40 O ATOM 1013 CB ASP A 62 67.196 -12.942 -5.492 1.00 0.48 C ATOM 1014 CG ASP A 62 67.527 -13.574 -6.848 1.00 0.55 C ATOM 1015 OD1 ASP A 62 66.671 -13.554 -7.717 1.00 1.24 O ATOM 1016 OD2 ASP A 62 68.632 -14.071 -6.991 1.00 1.18 O ATOM 0 H ASP A 62 67.945 -10.924 -6.495 1.00 0.37 H new ATOM 0 HA ASP A 62 65.320 -12.125 -6.260 1.00 0.42 H new ATOM 0 HB2 ASP A 62 68.105 -12.561 -5.027 1.00 0.48 H new ATOM 0 HB3 ASP A 62 66.785 -13.696 -4.820 1.00 0.48 H new ATOM 1021 N PHE A 63 66.511 -10.587 -3.617 1.00 0.31 N ATOM 1022 CA PHE A 63 66.089 -10.031 -2.301 1.00 0.31 C ATOM 1023 C PHE A 63 64.971 -9.012 -2.523 1.00 0.30 C ATOM 1024 O PHE A 63 64.023 -8.948 -1.772 1.00 0.35 O ATOM 1025 CB PHE A 63 67.335 -9.360 -1.710 1.00 0.29 C ATOM 1026 CG PHE A 63 68.173 -10.391 -0.988 1.00 0.35 C ATOM 1027 CD1 PHE A 63 67.601 -11.168 0.027 1.00 1.22 C ATOM 1028 CD2 PHE A 63 69.518 -10.568 -1.329 1.00 1.18 C ATOM 1029 CE1 PHE A 63 68.374 -12.125 0.696 1.00 1.27 C ATOM 1030 CE2 PHE A 63 70.291 -11.526 -0.662 1.00 1.20 C ATOM 1031 CZ PHE A 63 69.720 -12.302 0.353 1.00 0.53 C ATOM 0 H PHE A 63 67.469 -10.369 -3.891 1.00 0.31 H new ATOM 0 HA PHE A 63 65.707 -10.797 -1.627 1.00 0.31 H new ATOM 0 HB2 PHE A 63 67.919 -8.893 -2.503 1.00 0.29 H new ATOM 0 HB3 PHE A 63 67.042 -8.568 -1.021 1.00 0.29 H new ATOM 0 HD1 PHE A 63 66.564 -11.029 0.294 1.00 1.22 H new ATOM 0 HD2 PHE A 63 69.961 -9.965 -2.108 1.00 1.18 H new ATOM 0 HE1 PHE A 63 67.932 -12.727 1.477 1.00 1.27 H new ATOM 0 HE2 PHE A 63 71.328 -11.666 -0.931 1.00 1.20 H new ATOM 0 HZ PHE A 63 70.317 -13.037 0.872 1.00 0.53 H new ATOM 1041 N MET A 64 65.071 -8.220 -3.566 1.00 0.29 N ATOM 1042 CA MET A 64 64.006 -7.203 -3.838 1.00 0.33 C ATOM 1043 C MET A 64 62.647 -7.894 -3.997 1.00 0.37 C ATOM 1044 O MET A 64 61.642 -7.406 -3.511 1.00 0.42 O ATOM 1045 CB MET A 64 64.424 -6.503 -5.138 1.00 0.34 C ATOM 1046 CG MET A 64 65.651 -5.623 -4.875 1.00 0.37 C ATOM 1047 SD MET A 64 66.156 -4.810 -6.413 1.00 0.56 S ATOM 1048 CE MET A 64 67.601 -3.934 -5.757 1.00 0.39 C ATOM 0 H MET A 64 65.840 -8.234 -4.236 1.00 0.29 H new ATOM 0 HA MET A 64 63.903 -6.488 -3.022 1.00 0.33 H new ATOM 0 HB2 MET A 64 64.652 -7.243 -5.905 1.00 0.34 H new ATOM 0 HB3 MET A 64 63.602 -5.895 -5.516 1.00 0.34 H new ATOM 0 HG2 MET A 64 65.419 -4.876 -4.116 1.00 0.37 H new ATOM 0 HG3 MET A 64 66.469 -6.229 -4.486 1.00 0.37 H new ATOM 0 HE1 MET A 64 67.534 -2.877 -6.015 1.00 0.39 H new ATOM 0 HE2 MET A 64 67.630 -4.041 -4.673 1.00 0.39 H new ATOM 0 HE3 MET A 64 68.509 -4.356 -6.188 1.00 0.39 H new ATOM 1058 N LYS A 65 62.605 -9.032 -4.653 1.00 0.39 N ATOM 1059 CA LYS A 65 61.305 -9.753 -4.806 1.00 0.45 C ATOM 1060 C LYS A 65 60.793 -10.162 -3.424 1.00 0.46 C ATOM 1061 O LYS A 65 59.646 -9.949 -3.085 1.00 0.53 O ATOM 1062 CB LYS A 65 61.616 -10.988 -5.658 1.00 0.50 C ATOM 1063 CG LYS A 65 61.939 -10.556 -7.089 1.00 0.56 C ATOM 1064 CD LYS A 65 62.253 -11.790 -7.939 1.00 0.97 C ATOM 1065 CE LYS A 65 62.587 -11.356 -9.368 1.00 1.31 C ATOM 1066 NZ LYS A 65 63.296 -12.523 -9.966 1.00 2.04 N ATOM 0 H LYS A 65 63.409 -9.487 -5.085 1.00 0.39 H new ATOM 0 HA LYS A 65 60.537 -9.138 -5.274 1.00 0.45 H new ATOM 0 HB2 LYS A 65 62.459 -11.533 -5.233 1.00 0.50 H new ATOM 0 HB3 LYS A 65 60.764 -11.668 -5.656 1.00 0.50 H new ATOM 0 HG2 LYS A 65 61.095 -10.013 -7.515 1.00 0.56 H new ATOM 0 HG3 LYS A 65 62.790 -9.875 -7.091 1.00 0.56 H new ATOM 0 HD2 LYS A 65 63.092 -12.337 -7.509 1.00 0.97 H new ATOM 0 HD3 LYS A 65 61.399 -12.468 -7.944 1.00 0.97 H new ATOM 0 HE2 LYS A 65 61.684 -11.112 -9.928 1.00 1.31 H new ATOM 0 HE3 LYS A 65 63.216 -10.466 -9.374 1.00 1.31 H new ATOM 0 HZ1 LYS A 65 63.559 -12.304 -10.948 1.00 2.04 H new ATOM 0 HZ2 LYS A 65 64.154 -12.727 -9.415 1.00 2.04 H new ATOM 0 HZ3 LYS A 65 62.670 -13.354 -9.952 1.00 2.04 H new ATOM 1080 N HIS A 66 61.656 -10.729 -2.618 1.00 0.42 N ATOM 1081 CA HIS A 66 61.252 -11.135 -1.240 1.00 0.47 C ATOM 1082 C HIS A 66 60.934 -9.885 -0.417 1.00 0.53 C ATOM 1083 O HIS A 66 60.003 -9.855 0.361 1.00 0.64 O ATOM 1084 CB HIS A 66 62.471 -11.857 -0.659 1.00 0.47 C ATOM 1085 CG HIS A 66 62.136 -12.394 0.705 1.00 0.61 C ATOM 1086 ND1 HIS A 66 62.586 -11.789 1.869 1.00 1.12 N ATOM 1087 CD2 HIS A 66 61.396 -13.477 1.107 1.00 1.42 C ATOM 1088 CE1 HIS A 66 62.117 -12.507 2.906 1.00 0.96 C ATOM 1089 NE2 HIS A 66 61.385 -13.547 2.497 1.00 1.17 N ATOM 0 H HIS A 66 62.627 -10.928 -2.858 1.00 0.42 H new ATOM 0 HA HIS A 66 60.367 -11.771 -1.234 1.00 0.47 H new ATOM 0 HB2 HIS A 66 62.772 -12.672 -1.318 1.00 0.47 H new ATOM 0 HB3 HIS A 66 63.316 -11.171 -0.594 1.00 0.47 H new ATOM 0 HD2 HIS A 66 60.898 -14.170 0.445 1.00 1.42 H new ATOM 0 HE1 HIS A 66 62.309 -12.271 3.942 1.00 0.96 H new ATOM 0 HE2 HIS A 66 60.918 -14.243 3.079 1.00 1.17 H new ATOM 1097 N LEU A 67 61.718 -8.855 -0.591 1.00 0.49 N ATOM 1098 CA LEU A 67 61.497 -7.586 0.169 1.00 0.61 C ATOM 1099 C LEU A 67 60.169 -6.937 -0.236 1.00 0.69 C ATOM 1100 O LEU A 67 59.465 -6.381 0.586 1.00 0.85 O ATOM 1101 CB LEU A 67 62.672 -6.683 -0.222 1.00 0.57 C ATOM 1102 CG LEU A 67 63.967 -7.221 0.396 1.00 0.77 C ATOM 1103 CD1 LEU A 67 65.173 -6.608 -0.322 1.00 1.91 C ATOM 1104 CD2 LEU A 67 64.026 -6.856 1.879 1.00 1.05 C ATOM 0 H LEU A 67 62.510 -8.837 -1.233 1.00 0.49 H new ATOM 0 HA LEU A 67 61.447 -7.758 1.244 1.00 0.61 H new ATOM 0 HB2 LEU A 67 62.766 -6.642 -1.307 1.00 0.57 H new ATOM 0 HB3 LEU A 67 62.490 -5.665 0.121 1.00 0.57 H new ATOM 0 HG LEU A 67 63.988 -8.305 0.288 1.00 0.77 H new ATOM 0 HD11 LEU A 67 66.093 -6.992 0.119 1.00 1.91 H new ATOM 0 HD12 LEU A 67 65.140 -6.872 -1.379 1.00 1.91 H new ATOM 0 HD13 LEU A 67 65.146 -5.523 -0.218 1.00 1.91 H new ATOM 0 HD21 LEU A 67 64.949 -7.241 2.312 1.00 1.05 H new ATOM 0 HD22 LEU A 67 63.999 -5.772 1.988 1.00 1.05 H new ATOM 0 HD23 LEU A 67 63.172 -7.294 2.396 1.00 1.05 H new ATOM 1116 N ASP A 68 59.837 -6.983 -1.503 1.00 0.65 N ATOM 1117 CA ASP A 68 58.566 -6.344 -1.973 1.00 0.80 C ATOM 1118 C ASP A 68 57.333 -6.975 -1.315 1.00 0.96 C ATOM 1119 O ASP A 68 56.413 -6.277 -0.948 1.00 1.21 O ATOM 1120 CB ASP A 68 58.535 -6.570 -3.489 1.00 0.81 C ATOM 1121 CG ASP A 68 59.596 -5.696 -4.172 1.00 0.77 C ATOM 1122 OD1 ASP A 68 60.025 -4.724 -3.569 1.00 1.19 O ATOM 1123 OD2 ASP A 68 59.957 -6.012 -5.293 1.00 1.33 O ATOM 0 H ASP A 68 60.390 -7.434 -2.232 1.00 0.65 H new ATOM 0 HA ASP A 68 58.540 -5.287 -1.709 1.00 0.80 H new ATOM 0 HB2 ASP A 68 58.719 -7.621 -3.712 1.00 0.81 H new ATOM 0 HB3 ASP A 68 57.547 -6.329 -3.881 1.00 0.81 H new ATOM 1128 N LYS A 69 57.309 -8.283 -1.174 1.00 0.93 N ATOM 1129 CA LYS A 69 56.126 -8.993 -0.560 1.00 1.12 C ATOM 1130 C LYS A 69 54.787 -8.442 -1.105 1.00 1.62 C ATOM 1131 O LYS A 69 54.291 -8.918 -2.111 1.00 2.22 O ATOM 1132 CB LYS A 69 56.250 -8.766 0.956 1.00 1.37 C ATOM 1133 CG LYS A 69 57.018 -9.931 1.592 1.00 1.86 C ATOM 1134 CD LYS A 69 57.395 -9.565 3.028 1.00 2.45 C ATOM 1135 CE LYS A 69 56.126 -9.467 3.877 1.00 3.26 C ATOM 1136 NZ LYS A 69 56.588 -9.004 5.217 1.00 4.01 N ATOM 0 H LYS A 69 58.068 -8.901 -1.461 1.00 0.93 H new ATOM 0 HA LYS A 69 56.128 -10.055 -0.807 1.00 1.12 H new ATOM 0 HB2 LYS A 69 56.767 -7.827 1.152 1.00 1.37 H new ATOM 0 HB3 LYS A 69 55.259 -8.683 1.403 1.00 1.37 H new ATOM 0 HG2 LYS A 69 56.406 -10.833 1.583 1.00 1.86 H new ATOM 0 HG3 LYS A 69 57.915 -10.149 1.013 1.00 1.86 H new ATOM 0 HD2 LYS A 69 58.066 -10.317 3.443 1.00 2.45 H new ATOM 0 HD3 LYS A 69 57.931 -8.616 3.044 1.00 2.45 H new ATOM 0 HE2 LYS A 69 55.414 -8.766 3.442 1.00 3.26 H new ATOM 0 HE3 LYS A 69 55.622 -10.431 3.945 1.00 3.26 H new ATOM 0 HZ1 LYS A 69 55.771 -8.914 5.854 1.00 4.01 H new ATOM 0 HZ2 LYS A 69 57.259 -9.694 5.611 1.00 4.01 H new ATOM 0 HZ3 LYS A 69 57.057 -8.081 5.123 1.00 4.01 H new ATOM 1150 N LYS A 70 54.214 -7.442 -0.473 1.00 2.20 N ATOM 1151 CA LYS A 70 52.931 -6.862 -0.977 1.00 2.93 C ATOM 1152 C LYS A 70 53.216 -5.917 -2.148 1.00 3.53 C ATOM 1153 O LYS A 70 54.124 -5.107 -2.090 1.00 4.13 O ATOM 1154 CB LYS A 70 52.356 -6.088 0.209 1.00 3.70 C ATOM 1155 CG LYS A 70 51.924 -7.072 1.296 1.00 4.27 C ATOM 1156 CD LYS A 70 51.345 -6.305 2.487 1.00 5.29 C ATOM 1157 CE LYS A 70 52.477 -5.637 3.266 1.00 6.08 C ATOM 1158 NZ LYS A 70 53.064 -6.723 4.099 1.00 6.95 N ATOM 0 H LYS A 70 54.582 -7.004 0.371 1.00 2.20 H new ATOM 0 HA LYS A 70 52.240 -7.624 -1.338 1.00 2.93 H new ATOM 0 HB2 LYS A 70 53.102 -5.398 0.603 1.00 3.70 H new ATOM 0 HB3 LYS A 70 51.505 -5.488 -0.113 1.00 3.70 H new ATOM 0 HG2 LYS A 70 51.180 -7.763 0.900 1.00 4.27 H new ATOM 0 HG3 LYS A 70 52.776 -7.671 1.617 1.00 4.27 H new ATOM 0 HD2 LYS A 70 50.637 -5.553 2.139 1.00 5.29 H new ATOM 0 HD3 LYS A 70 50.794 -6.985 3.137 1.00 5.29 H new ATOM 0 HE2 LYS A 70 53.221 -5.210 2.593 1.00 6.08 H new ATOM 0 HE3 LYS A 70 52.103 -4.822 3.886 1.00 6.08 H new ATOM 0 HZ1 LYS A 70 52.864 -6.538 5.103 1.00 6.95 H new ATOM 0 HZ2 LYS A 70 52.646 -7.635 3.825 1.00 6.95 H new ATOM 0 HZ3 LYS A 70 54.093 -6.756 3.952 1.00 6.95 H new ATOM 1172 N THR A 71 52.453 -6.013 -3.209 1.00 3.95 N ATOM 1173 CA THR A 71 52.687 -5.119 -4.384 1.00 5.01 C ATOM 1174 C THR A 71 51.378 -4.863 -5.148 1.00 5.61 C ATOM 1175 O THR A 71 50.816 -3.786 -5.082 1.00 6.47 O ATOM 1176 CB THR A 71 53.703 -5.870 -5.256 1.00 5.44 C ATOM 1177 OG1 THR A 71 54.892 -6.088 -4.507 1.00 5.42 O ATOM 1178 CG2 THR A 71 54.032 -5.038 -6.499 1.00 5.93 C ATOM 0 H THR A 71 51.680 -6.670 -3.312 1.00 3.95 H new ATOM 0 HA THR A 71 53.056 -4.138 -4.087 1.00 5.01 H new ATOM 0 HB THR A 71 53.280 -6.826 -5.564 1.00 5.44 H new ATOM 0 HG1 THR A 71 55.543 -6.569 -5.059 1.00 5.42 H new ATOM 0 HG21 THR A 71 54.753 -5.574 -7.115 1.00 5.93 H new ATOM 0 HG22 THR A 71 53.122 -4.866 -7.073 1.00 5.93 H new ATOM 0 HG23 THR A 71 54.456 -4.081 -6.195 1.00 5.93 H new ATOM 1186 N GLN A 72 50.900 -5.839 -5.876 1.00 5.42 N ATOM 1187 CA GLN A 72 49.637 -5.655 -6.655 1.00 6.19 C ATOM 1188 C GLN A 72 48.421 -6.013 -5.793 1.00 6.29 C ATOM 1189 O GLN A 72 48.450 -6.956 -5.026 1.00 6.47 O ATOM 1190 CB GLN A 72 49.775 -6.614 -7.839 1.00 6.54 C ATOM 1191 CG GLN A 72 50.866 -6.095 -8.776 1.00 6.95 C ATOM 1192 CD GLN A 72 51.153 -7.128 -9.868 1.00 7.58 C ATOM 1193 OE1 GLN A 72 50.855 -8.296 -9.715 1.00 7.79 O ATOM 1194 NE2 GLN A 72 51.727 -6.741 -10.974 1.00 8.18 N ATOM 0 H GLN A 72 51.331 -6.759 -5.965 1.00 5.42 H new ATOM 0 HA GLN A 72 49.489 -4.625 -6.979 1.00 6.19 H new ATOM 0 HB2 GLN A 72 50.026 -7.614 -7.486 1.00 6.54 H new ATOM 0 HB3 GLN A 72 48.827 -6.693 -8.372 1.00 6.54 H new ATOM 0 HG2 GLN A 72 50.552 -5.154 -9.228 1.00 6.95 H new ATOM 0 HG3 GLN A 72 51.775 -5.889 -8.211 1.00 6.95 H new ATOM 0 HE21 GLN A 72 51.977 -5.761 -11.103 1.00 8.18 H new ATOM 0 HE22 GLN A 72 51.925 -7.419 -11.710 1.00 8.18 H new ATOM 1203 N THR A 73 47.356 -5.257 -5.910 1.00 6.50 N ATOM 1204 CA THR A 73 46.132 -5.537 -5.096 1.00 6.91 C ATOM 1205 C THR A 73 45.161 -6.445 -5.880 1.00 6.82 C ATOM 1206 O THR A 73 44.672 -6.051 -6.921 1.00 6.89 O ATOM 1207 CB THR A 73 45.487 -4.167 -4.844 1.00 7.60 C ATOM 1208 OG1 THR A 73 45.062 -3.604 -6.081 1.00 7.83 O ATOM 1209 CG2 THR A 73 46.483 -3.223 -4.154 1.00 8.06 C ATOM 0 H THR A 73 47.282 -4.455 -6.536 1.00 6.50 H new ATOM 0 HA THR A 73 46.374 -6.052 -4.166 1.00 6.91 H new ATOM 0 HB THR A 73 44.625 -4.299 -4.190 1.00 7.60 H new ATOM 0 HG1 THR A 73 44.892 -4.322 -6.726 1.00 7.83 H new ATOM 0 HG21 THR A 73 46.009 -2.256 -3.983 1.00 8.06 H new ATOM 0 HG22 THR A 73 46.789 -3.651 -3.199 1.00 8.06 H new ATOM 0 HG23 THR A 73 47.359 -3.091 -4.789 1.00 8.06 H new ATOM 1217 N PRO A 74 44.903 -7.635 -5.366 1.00 6.98 N ATOM 1218 CA PRO A 74 43.980 -8.567 -6.062 1.00 7.22 C ATOM 1219 C PRO A 74 42.518 -8.165 -5.829 1.00 7.89 C ATOM 1220 O PRO A 74 41.753 -8.895 -5.226 1.00 8.39 O ATOM 1221 CB PRO A 74 44.272 -9.916 -5.416 1.00 7.57 C ATOM 1222 CG PRO A 74 44.814 -9.598 -4.058 1.00 7.81 C ATOM 1223 CD PRO A 74 45.432 -8.222 -4.122 1.00 7.32 C ATOM 0 HA PRO A 74 44.125 -8.572 -7.142 1.00 7.22 H new ATOM 0 HB2 PRO A 74 43.369 -10.522 -5.346 1.00 7.57 H new ATOM 0 HB3 PRO A 74 44.993 -10.485 -6.003 1.00 7.57 H new ATOM 0 HG2 PRO A 74 44.019 -9.626 -3.313 1.00 7.81 H new ATOM 0 HG3 PRO A 74 45.557 -10.338 -3.760 1.00 7.81 H new ATOM 0 HD2 PRO A 74 45.158 -7.623 -3.253 1.00 7.32 H new ATOM 0 HD3 PRO A 74 46.520 -8.277 -4.141 1.00 7.32 H new ATOM 1231 N LYS A 75 42.126 -7.013 -6.310 1.00 8.14 N ATOM 1232 CA LYS A 75 40.710 -6.565 -6.127 1.00 8.96 C ATOM 1233 C LYS A 75 39.795 -7.341 -7.081 1.00 9.45 C ATOM 1234 O LYS A 75 40.205 -7.738 -8.156 1.00 10.09 O ATOM 1235 CB LYS A 75 40.717 -5.072 -6.477 1.00 9.33 C ATOM 1236 CG LYS A 75 41.668 -4.329 -5.535 1.00 9.55 C ATOM 1237 CD LYS A 75 41.685 -2.838 -5.886 1.00 10.22 C ATOM 1238 CE LYS A 75 42.637 -2.105 -4.939 1.00 10.92 C ATOM 1239 NZ LYS A 75 43.256 -1.028 -5.762 1.00 11.38 N ATOM 0 H LYS A 75 42.723 -6.363 -6.821 1.00 8.14 H new ATOM 0 HA LYS A 75 40.342 -6.740 -5.116 1.00 8.96 H new ATOM 0 HB2 LYS A 75 41.030 -4.932 -7.512 1.00 9.33 H new ATOM 0 HB3 LYS A 75 39.710 -4.663 -6.391 1.00 9.33 H new ATOM 0 HG2 LYS A 75 41.351 -4.465 -4.501 1.00 9.55 H new ATOM 0 HG3 LYS A 75 42.673 -4.743 -5.617 1.00 9.55 H new ATOM 0 HD2 LYS A 75 42.004 -2.700 -6.919 1.00 10.22 H new ATOM 0 HD3 LYS A 75 40.681 -2.422 -5.804 1.00 10.22 H new ATOM 0 HE2 LYS A 75 42.101 -1.689 -4.086 1.00 10.92 H new ATOM 0 HE3 LYS A 75 43.394 -2.781 -4.541 1.00 10.92 H new ATOM 0 HZ1 LYS A 75 43.922 -0.483 -5.177 1.00 11.38 H new ATOM 0 HZ2 LYS A 75 43.766 -1.453 -6.563 1.00 11.38 H new ATOM 0 HZ3 LYS A 75 42.513 -0.395 -6.121 1.00 11.38 H new ATOM 1253 N LEU A 76 38.562 -7.562 -6.697 1.00 9.37 N ATOM 1254 CA LEU A 76 37.625 -8.313 -7.584 1.00 10.06 C ATOM 1255 C LEU A 76 36.263 -7.612 -7.627 1.00 9.95 C ATOM 1256 O LEU A 76 36.011 -6.911 -8.593 1.00 10.02 O ATOM 1257 CB LEU A 76 37.503 -9.705 -6.953 1.00 10.44 C ATOM 1258 CG LEU A 76 36.554 -10.576 -7.787 1.00 11.27 C ATOM 1259 CD1 LEU A 76 37.190 -10.888 -9.145 1.00 11.87 C ATOM 1260 CD2 LEU A 76 36.284 -11.888 -7.046 1.00 11.70 C ATOM 1261 OXT LEU A 76 35.498 -7.789 -6.694 1.00 10.02 O ATOM 0 H LEU A 76 38.166 -7.255 -5.809 1.00 9.37 H new ATOM 0 HA LEU A 76 37.983 -8.368 -8.612 1.00 10.06 H new ATOM 0 HB2 LEU A 76 38.485 -10.175 -6.895 1.00 10.44 H new ATOM 0 HB3 LEU A 76 37.130 -9.620 -5.932 1.00 10.44 H new ATOM 0 HG LEU A 76 35.619 -10.038 -7.941 1.00 11.27 H new ATOM 0 HD11 LEU A 76 36.511 -11.507 -9.731 1.00 11.87 H new ATOM 0 HD12 LEU A 76 37.385 -9.957 -9.678 1.00 11.87 H new ATOM 0 HD13 LEU A 76 38.128 -11.422 -8.993 1.00 11.87 H new ATOM 0 HD21 LEU A 76 35.610 -12.508 -7.637 1.00 11.70 H new ATOM 0 HD22 LEU A 76 37.223 -12.419 -6.892 1.00 11.70 H new ATOM 0 HD23 LEU A 76 35.826 -11.673 -6.081 1.00 11.70 H new TER 1273 LEU A 76 CONECT 146 585 CONECT 156 858 CONECT 585 146 CONECT 858 156 END