USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 31-MAR-95 1SSO TITLE SOLUTION STRUCTURE AND DNA-BINDING PROPERTIES OF A TITLE 2 THERMOSTABLE PROTEIN FROM THE ARCHAEON SULFOLOBUS TITLE 3 SOLFATARICUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: SSO7D; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; SOURCE 3 ORGANISM_TAXID: 2287 KEYWDS DNA-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR H.BAUMANN,S.KNAPP,T.LUNDBACK,R.LADENSTEIN,T.HARD REVDAT 2 24-FEB-09 1SSO 1 VERSN REVDAT 1 08-MAY-95 1SSO 0 JRNL AUTH H.BAUMANN,S.KNAPP,T.LUNDBACK,R.LADENSTEIN,T.HARD JRNL TITL SOLUTION STRUCTURE AND DNA-BINDING PROPERTIES OF A JRNL TITL 2 THERMOSTABLE PROTEIN FROM THE ARCHAEON SULFOLOBUS JRNL TITL 3 SOLFATARICUS. JRNL REF NAT.STRUCT.BIOL. V. 1 808 1994 JRNL REFN ISSN 1072-8368 JRNL PMID 7634092 JRNL DOI 10.1038/NSB1194-808 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.BAUMANN,S.KNAPP,A.KARSHIKOFF,R.LADENSTEIN,T.HARD REMARK 1 TITL DNA-BINDING SURFACE OF THE SSO7D PROTEIN FROM REMARK 1 TITL 2 SULFOLOBUS SOLFATARICUS REMARK 1 REF J.MOL.BIOL. V. 247 840 1995 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1SSO 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 LYS A 20 -70.49 -122.18 REMARK 500 PRO A 51 -168.17 -64.41 REMARK 500 GLU A 53 35.79 -95.60 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 24 0.31 SIDE_CHAIN REMARK 500 ARG A 42 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1SSO A 1 62 UNP P61991 DN71_SULSO 1 62 SEQRES 1 A 62 ALA THR VAL LYS PHE LYS TYR LYS GLY GLU GLU LYS GLN SEQRES 2 A 62 VAL ASP ILE SER LYS ILE LYS LYS VAL TRP ARG VAL GLY SEQRES 3 A 62 LYS MET ILE SER PHE THR TYR ASP GLU GLY GLY GLY LYS SEQRES 4 A 62 THR GLY ARG GLY ALA VAL SER GLU LYS ASP ALA PRO LYS SEQRES 5 A 62 GLU LEU LEU GLN MET LEU GLU LYS GLN LYS HELIX 1 1 LEU A 54 GLU A 59 1 6 SHEET 1 A 2 THR A 2 TYR A 7 0 SHEET 2 A 2 GLU A 10 ASP A 15 -1 SHEET 1 B 3 LYS A 21 VAL A 25 0 SHEET 2 B 3 MET A 28 TYR A 33 -1 SHEET 3 B 3 GLY A 41 SER A 46 -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 Set 1.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot -126:sc= 0.154 USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.102 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 40:sc= 0.19 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 96:sc= -1.44! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 11:sc= 0.83 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.798 K(o=-0.8,f=-6.3!) USER MOD Single : A 57 MET CE :methyl 160:sc= -0.0978 (180deg=-0.347) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.139 2.240 12.132 1.00 1.73 N ATOM 2 CA ALA A 1 -2.874 0.935 11.465 1.00 1.43 C ATOM 3 C ALA A 1 -1.735 1.098 10.457 1.00 1.27 C ATOM 4 O ALA A 1 -1.383 2.200 10.079 1.00 1.51 O ATOM 5 CB ALA A 1 -4.136 0.468 10.737 1.00 1.45 C ATOM 0 H1 ALA A 1 -2.945 2.155 13.150 1.00 1.73 H new ATOM 0 H2 ALA A 1 -2.523 2.971 11.722 1.00 1.73 H new ATOM 0 H3 ALA A 1 -4.134 2.506 11.990 1.00 1.73 H new ATOM 0 HA ALA A 1 -2.592 0.196 12.215 1.00 1.43 H new ATOM 0 HB1 ALA A 1 -3.942 -0.487 10.249 1.00 1.45 H new ATOM 0 HB2 ALA A 1 -4.948 0.350 11.455 1.00 1.45 H new ATOM 0 HB3 ALA A 1 -4.419 1.208 9.988 1.00 1.45 H new ATOM 13 N THR A 2 -1.158 0.007 10.021 1.00 1.18 N ATOM 14 CA THR A 2 -0.041 0.085 9.036 1.00 1.03 C ATOM 15 C THR A 2 -0.149 -1.082 8.052 1.00 0.94 C ATOM 16 O THR A 2 -0.714 -2.114 8.363 1.00 1.14 O ATOM 17 CB THR A 2 1.300 0.013 9.774 1.00 1.06 C ATOM 18 OG1 THR A 2 2.358 -0.014 8.825 1.00 0.98 O ATOM 19 CG2 THR A 2 1.352 -1.251 10.635 1.00 1.15 C ATOM 0 H THR A 2 -1.415 -0.938 10.307 1.00 1.18 H new ATOM 0 HA THR A 2 -0.102 1.027 8.491 1.00 1.03 H new ATOM 0 HB THR A 2 1.406 0.887 10.416 1.00 1.06 H new ATOM 0 HG1 THR A 2 2.157 0.607 8.094 1.00 0.98 H new ATOM 0 HG21 THR A 2 2.308 -1.297 11.157 1.00 1.15 H new ATOM 0 HG22 THR A 2 0.541 -1.229 11.363 1.00 1.15 H new ATOM 0 HG23 THR A 2 1.244 -2.129 9.999 1.00 1.15 H new ATOM 27 N VAL A 3 0.388 -0.925 6.868 1.00 0.72 N ATOM 28 CA VAL A 3 0.318 -2.022 5.859 1.00 0.66 C ATOM 29 C VAL A 3 1.726 -2.575 5.606 1.00 0.58 C ATOM 30 O VAL A 3 2.681 -1.831 5.483 1.00 0.71 O ATOM 31 CB VAL A 3 -0.283 -1.474 4.553 1.00 0.65 C ATOM 32 CG1 VAL A 3 0.598 -0.348 4.001 1.00 0.60 C ATOM 33 CG2 VAL A 3 -0.392 -2.601 3.513 1.00 0.64 C ATOM 0 H VAL A 3 0.872 -0.083 6.558 1.00 0.72 H new ATOM 0 HA VAL A 3 -0.315 -2.828 6.231 1.00 0.66 H new ATOM 0 HB VAL A 3 -1.278 -1.080 4.762 1.00 0.65 H new ATOM 0 HG11 VAL A 3 0.164 0.033 3.077 1.00 0.60 H new ATOM 0 HG12 VAL A 3 0.659 0.458 4.732 1.00 0.60 H new ATOM 0 HG13 VAL A 3 1.598 -0.733 3.801 1.00 0.60 H new ATOM 0 HG21 VAL A 3 -0.818 -2.205 2.591 1.00 0.64 H new ATOM 0 HG22 VAL A 3 0.599 -3.006 3.310 1.00 0.64 H new ATOM 0 HG23 VAL A 3 -1.035 -3.392 3.900 1.00 0.64 H new ATOM 43 N LYS A 4 1.855 -3.875 5.523 1.00 0.60 N ATOM 44 CA LYS A 4 3.193 -4.485 5.273 1.00 0.61 C ATOM 45 C LYS A 4 3.161 -5.243 3.944 1.00 0.55 C ATOM 46 O LYS A 4 2.195 -5.910 3.625 1.00 0.67 O ATOM 47 CB LYS A 4 3.541 -5.452 6.410 1.00 0.81 C ATOM 48 CG LYS A 4 2.427 -6.491 6.563 1.00 1.42 C ATOM 49 CD LYS A 4 2.792 -7.471 7.680 1.00 1.69 C ATOM 50 CE LYS A 4 1.528 -8.175 8.175 1.00 2.31 C ATOM 51 NZ LYS A 4 1.761 -8.707 9.548 1.00 2.77 N ATOM 0 H LYS A 4 1.088 -4.541 5.618 1.00 0.60 H new ATOM 0 HA LYS A 4 3.949 -3.701 5.228 1.00 0.61 H new ATOM 0 HB2 LYS A 4 4.488 -5.949 6.201 1.00 0.81 H new ATOM 0 HB3 LYS A 4 3.669 -4.902 7.342 1.00 0.81 H new ATOM 0 HG2 LYS A 4 1.483 -5.996 6.793 1.00 1.42 H new ATOM 0 HG3 LYS A 4 2.285 -7.028 5.625 1.00 1.42 H new ATOM 0 HD2 LYS A 4 3.510 -8.205 7.314 1.00 1.69 H new ATOM 0 HD3 LYS A 4 3.271 -6.939 8.502 1.00 1.69 H new ATOM 0 HE2 LYS A 4 0.690 -7.479 8.181 1.00 2.31 H new ATOM 0 HE3 LYS A 4 1.263 -8.988 7.499 1.00 2.31 H new ATOM 0 HZ1 LYS A 4 0.902 -9.186 9.885 1.00 2.77 H new ATOM 0 HZ2 LYS A 4 2.550 -9.384 9.529 1.00 2.77 H new ATOM 0 HZ3 LYS A 4 1.994 -7.922 10.189 1.00 2.77 H new ATOM 65 N PHE A 5 4.209 -5.139 3.168 1.00 0.49 N ATOM 66 CA PHE A 5 4.245 -5.849 1.850 1.00 0.47 C ATOM 67 C PHE A 5 5.045 -7.144 1.998 1.00 0.58 C ATOM 68 O PHE A 5 5.352 -7.573 3.093 1.00 0.68 O ATOM 69 CB PHE A 5 4.898 -4.974 0.768 1.00 0.46 C ATOM 70 CG PHE A 5 4.672 -3.494 1.026 1.00 0.40 C ATOM 71 CD1 PHE A 5 3.411 -3.028 1.423 1.00 1.30 C ATOM 72 CD2 PHE A 5 5.728 -2.591 0.859 1.00 1.23 C ATOM 73 CE1 PHE A 5 3.210 -1.662 1.653 1.00 1.29 C ATOM 74 CE2 PHE A 5 5.527 -1.226 1.090 1.00 1.26 C ATOM 75 CZ PHE A 5 4.267 -0.762 1.486 1.00 0.46 C ATOM 0 H PHE A 5 5.042 -4.594 3.388 1.00 0.49 H new ATOM 0 HA PHE A 5 3.221 -6.067 1.547 1.00 0.47 H new ATOM 0 HB2 PHE A 5 5.968 -5.177 0.733 1.00 0.46 H new ATOM 0 HB3 PHE A 5 4.491 -5.239 -0.208 1.00 0.46 H new ATOM 0 HD1 PHE A 5 2.594 -3.723 1.551 1.00 1.30 H new ATOM 0 HD2 PHE A 5 6.700 -2.948 0.551 1.00 1.23 H new ATOM 0 HE1 PHE A 5 2.239 -1.303 1.959 1.00 1.29 H new ATOM 0 HE2 PHE A 5 6.343 -0.531 0.963 1.00 1.26 H new ATOM 0 HZ PHE A 5 4.111 0.292 1.663 1.00 0.46 H new ATOM 85 N LYS A 6 5.386 -7.764 0.898 1.00 0.64 N ATOM 86 CA LYS A 6 6.167 -9.026 0.949 1.00 0.76 C ATOM 87 C LYS A 6 6.887 -9.225 -0.387 1.00 0.84 C ATOM 88 O LYS A 6 6.308 -9.695 -1.349 1.00 1.10 O ATOM 89 CB LYS A 6 5.223 -10.205 1.213 1.00 0.93 C ATOM 90 CG LYS A 6 5.880 -11.187 2.187 1.00 1.53 C ATOM 91 CD LYS A 6 5.148 -12.531 2.130 1.00 1.89 C ATOM 92 CE LYS A 6 5.125 -13.162 3.524 1.00 2.54 C ATOM 93 NZ LYS A 6 4.774 -14.607 3.409 1.00 3.05 N ATOM 0 H LYS A 6 5.152 -7.443 -0.041 1.00 0.64 H new ATOM 0 HA LYS A 6 6.901 -8.972 1.753 1.00 0.76 H new ATOM 0 HB2 LYS A 6 4.281 -9.843 1.626 1.00 0.93 H new ATOM 0 HB3 LYS A 6 4.987 -10.710 0.277 1.00 0.93 H new ATOM 0 HG2 LYS A 6 6.931 -11.322 1.930 1.00 1.53 H new ATOM 0 HG3 LYS A 6 5.848 -10.786 3.200 1.00 1.53 H new ATOM 0 HD2 LYS A 6 4.130 -12.387 1.768 1.00 1.89 H new ATOM 0 HD3 LYS A 6 5.645 -13.198 1.426 1.00 1.89 H new ATOM 0 HE2 LYS A 6 6.098 -13.050 4.002 1.00 2.54 H new ATOM 0 HE3 LYS A 6 4.399 -12.649 4.155 1.00 2.54 H new ATOM 0 HZ1 LYS A 6 4.758 -15.037 4.356 1.00 3.05 H new ATOM 0 HZ2 LYS A 6 3.836 -14.703 2.970 1.00 3.05 H new ATOM 0 HZ3 LYS A 6 5.483 -15.091 2.821 1.00 3.05 H new ATOM 107 N TYR A 7 8.143 -8.860 -0.455 1.00 0.82 N ATOM 108 CA TYR A 7 8.905 -9.014 -1.730 1.00 0.95 C ATOM 109 C TYR A 7 10.046 -10.015 -1.542 1.00 1.20 C ATOM 110 O TYR A 7 11.056 -9.712 -0.936 1.00 1.56 O ATOM 111 CB TYR A 7 9.483 -7.659 -2.141 1.00 1.00 C ATOM 112 CG TYR A 7 8.490 -6.934 -3.016 1.00 1.11 C ATOM 113 CD1 TYR A 7 8.188 -7.429 -4.290 1.00 1.81 C ATOM 114 CD2 TYR A 7 7.873 -5.767 -2.552 1.00 1.60 C ATOM 115 CE1 TYR A 7 7.267 -6.756 -5.101 1.00 2.05 C ATOM 116 CE2 TYR A 7 6.951 -5.094 -3.363 1.00 1.81 C ATOM 117 CZ TYR A 7 6.649 -5.589 -4.637 1.00 1.69 C ATOM 118 OH TYR A 7 5.742 -4.925 -5.437 1.00 2.06 O ATOM 0 H TYR A 7 8.674 -8.461 0.320 1.00 0.82 H new ATOM 0 HA TYR A 7 8.233 -9.381 -2.506 1.00 0.95 H new ATOM 0 HB2 TYR A 7 9.707 -7.063 -1.256 1.00 1.00 H new ATOM 0 HB3 TYR A 7 10.422 -7.799 -2.677 1.00 1.00 H new ATOM 0 HD1 TYR A 7 8.665 -8.330 -4.647 1.00 1.81 H new ATOM 0 HD2 TYR A 7 8.108 -5.386 -1.569 1.00 1.60 H new ATOM 0 HE1 TYR A 7 7.033 -7.137 -6.084 1.00 2.05 H new ATOM 0 HE2 TYR A 7 6.473 -4.194 -3.006 1.00 1.81 H new ATOM 0 HH TYR A 7 4.832 -5.202 -5.200 1.00 2.06 H new ATOM 128 N LYS A 8 9.894 -11.204 -2.070 1.00 1.31 N ATOM 129 CA LYS A 8 10.966 -12.239 -1.945 1.00 1.61 C ATOM 130 C LYS A 8 11.308 -12.474 -0.466 1.00 1.45 C ATOM 131 O LYS A 8 12.459 -12.441 -0.070 1.00 2.04 O ATOM 132 CB LYS A 8 12.215 -11.764 -2.698 1.00 2.18 C ATOM 133 CG LYS A 8 12.850 -12.944 -3.437 1.00 2.83 C ATOM 134 CD LYS A 8 13.595 -12.436 -4.674 1.00 3.46 C ATOM 135 CE LYS A 8 13.533 -13.494 -5.777 1.00 4.15 C ATOM 136 NZ LYS A 8 14.616 -13.241 -6.770 1.00 4.90 N ATOM 0 H LYS A 8 9.067 -11.504 -2.586 1.00 1.31 H new ATOM 0 HA LYS A 8 10.612 -13.177 -2.374 1.00 1.61 H new ATOM 0 HB2 LYS A 8 11.948 -10.980 -3.406 1.00 2.18 H new ATOM 0 HB3 LYS A 8 12.931 -11.332 -1.999 1.00 2.18 H new ATOM 0 HG2 LYS A 8 13.539 -13.471 -2.777 1.00 2.83 H new ATOM 0 HG3 LYS A 8 12.081 -13.658 -3.731 1.00 2.83 H new ATOM 0 HD2 LYS A 8 13.149 -11.505 -5.023 1.00 3.46 H new ATOM 0 HD3 LYS A 8 14.633 -12.218 -4.423 1.00 3.46 H new ATOM 0 HE2 LYS A 8 13.644 -14.490 -5.347 1.00 4.15 H new ATOM 0 HE3 LYS A 8 12.560 -13.466 -6.268 1.00 4.15 H new ATOM 0 HZ1 LYS A 8 14.574 -13.960 -7.520 1.00 4.90 H new ATOM 0 HZ2 LYS A 8 14.490 -12.297 -7.188 1.00 4.90 H new ATOM 0 HZ3 LYS A 8 15.540 -13.289 -6.296 1.00 4.90 H new ATOM 150 N GLY A 9 10.313 -12.717 0.347 1.00 1.27 N ATOM 151 CA GLY A 9 10.567 -12.962 1.798 1.00 1.51 C ATOM 152 C GLY A 9 11.048 -11.673 2.471 1.00 1.56 C ATOM 153 O GLY A 9 11.734 -11.711 3.475 1.00 2.16 O ATOM 0 H GLY A 9 9.333 -12.756 0.068 1.00 1.27 H new ATOM 0 HA2 GLY A 9 9.656 -13.316 2.280 1.00 1.51 H new ATOM 0 HA3 GLY A 9 11.315 -13.745 1.917 1.00 1.51 H new ATOM 157 N GLU A 10 10.690 -10.535 1.931 1.00 1.15 N ATOM 158 CA GLU A 10 11.120 -9.243 2.542 1.00 1.29 C ATOM 159 C GLU A 10 9.880 -8.458 2.976 1.00 1.10 C ATOM 160 O GLU A 10 9.397 -7.600 2.262 1.00 1.14 O ATOM 161 CB GLU A 10 11.914 -8.428 1.517 1.00 1.53 C ATOM 162 CG GLU A 10 13.021 -7.651 2.231 1.00 2.00 C ATOM 163 CD GLU A 10 13.725 -6.728 1.234 1.00 2.51 C ATOM 164 OE1 GLU A 10 13.040 -5.951 0.589 1.00 3.03 O ATOM 165 OE2 GLU A 10 14.938 -6.812 1.134 1.00 2.94 O ATOM 0 H GLU A 10 10.117 -10.446 1.092 1.00 1.15 H new ATOM 0 HA GLU A 10 11.752 -9.439 3.408 1.00 1.29 H new ATOM 0 HB2 GLU A 10 12.346 -9.090 0.766 1.00 1.53 H new ATOM 0 HB3 GLU A 10 11.252 -7.739 0.992 1.00 1.53 H new ATOM 0 HG2 GLU A 10 12.600 -7.066 3.049 1.00 2.00 H new ATOM 0 HG3 GLU A 10 13.739 -8.343 2.671 1.00 2.00 H new ATOM 172 N GLU A 11 9.360 -8.752 4.142 1.00 1.09 N ATOM 173 CA GLU A 11 8.146 -8.034 4.632 1.00 0.97 C ATOM 174 C GLU A 11 8.451 -6.541 4.773 1.00 0.93 C ATOM 175 O GLU A 11 9.224 -6.134 5.620 1.00 1.35 O ATOM 176 CB GLU A 11 7.731 -8.599 5.992 1.00 1.12 C ATOM 177 CG GLU A 11 7.450 -10.097 5.859 1.00 1.74 C ATOM 178 CD GLU A 11 7.540 -10.757 7.236 1.00 2.20 C ATOM 179 OE1 GLU A 11 6.847 -10.308 8.133 1.00 2.62 O ATOM 180 OE2 GLU A 11 8.300 -11.702 7.369 1.00 2.76 O ATOM 0 H GLU A 11 9.727 -9.461 4.777 1.00 1.09 H new ATOM 0 HA GLU A 11 7.335 -8.171 3.917 1.00 0.97 H new ATOM 0 HB2 GLU A 11 8.521 -8.430 6.724 1.00 1.12 H new ATOM 0 HB3 GLU A 11 6.843 -8.083 6.356 1.00 1.12 H new ATOM 0 HG2 GLU A 11 6.460 -10.256 5.432 1.00 1.74 H new ATOM 0 HG3 GLU A 11 8.168 -10.553 5.178 1.00 1.74 H new ATOM 187 N LYS A 12 7.849 -5.726 3.945 1.00 0.68 N ATOM 188 CA LYS A 12 8.091 -4.264 4.015 1.00 0.65 C ATOM 189 C LYS A 12 7.103 -3.630 4.995 1.00 0.58 C ATOM 190 O LYS A 12 6.215 -4.292 5.502 1.00 0.59 O ATOM 191 CB LYS A 12 7.908 -3.650 2.627 1.00 0.63 C ATOM 192 CG LYS A 12 9.240 -3.692 1.876 1.00 0.98 C ATOM 193 CD LYS A 12 9.269 -2.589 0.817 1.00 1.04 C ATOM 194 CE LYS A 12 10.694 -2.432 0.285 1.00 1.50 C ATOM 195 NZ LYS A 12 10.929 -1.010 -0.096 1.00 2.13 N ATOM 0 H LYS A 12 7.195 -6.019 3.219 1.00 0.68 H new ATOM 0 HA LYS A 12 9.108 -4.079 4.359 1.00 0.65 H new ATOM 0 HB2 LYS A 12 7.147 -4.198 2.072 1.00 0.63 H new ATOM 0 HB3 LYS A 12 7.559 -2.621 2.715 1.00 0.63 H new ATOM 0 HG2 LYS A 12 10.067 -3.561 2.574 1.00 0.98 H new ATOM 0 HG3 LYS A 12 9.372 -4.666 1.405 1.00 0.98 H new ATOM 0 HD2 LYS A 12 8.590 -2.835 0.001 1.00 1.04 H new ATOM 0 HD3 LYS A 12 8.924 -1.648 1.246 1.00 1.04 H new ATOM 0 HE2 LYS A 12 11.413 -2.740 1.044 1.00 1.50 H new ATOM 0 HE3 LYS A 12 10.845 -3.080 -0.578 1.00 1.50 H new ATOM 0 HZ1 LYS A 12 11.898 -0.903 -0.458 1.00 2.13 H new ATOM 0 HZ2 LYS A 12 10.251 -0.732 -0.834 1.00 2.13 H new ATOM 0 HZ3 LYS A 12 10.802 -0.402 0.738 1.00 2.13 H new ATOM 209 N GLN A 13 7.251 -2.358 5.272 1.00 0.58 N ATOM 210 CA GLN A 13 6.322 -1.687 6.229 1.00 0.60 C ATOM 211 C GLN A 13 6.187 -0.200 5.883 1.00 0.57 C ATOM 212 O GLN A 13 7.165 0.490 5.669 1.00 0.81 O ATOM 213 CB GLN A 13 6.875 -1.829 7.649 1.00 0.76 C ATOM 214 CG GLN A 13 5.765 -1.548 8.663 1.00 1.19 C ATOM 215 CD GLN A 13 6.277 -1.840 10.075 1.00 1.66 C ATOM 216 OE1 GLN A 13 7.375 -1.457 10.427 1.00 2.34 O ATOM 217 NE2 GLN A 13 5.523 -2.508 10.904 1.00 2.08 N ATOM 0 H GLN A 13 7.974 -1.757 4.877 1.00 0.58 H new ATOM 0 HA GLN A 13 5.340 -2.156 6.162 1.00 0.60 H new ATOM 0 HB2 GLN A 13 7.271 -2.834 7.797 1.00 0.76 H new ATOM 0 HB3 GLN A 13 7.702 -1.135 7.799 1.00 0.76 H new ATOM 0 HG2 GLN A 13 5.445 -0.509 8.589 1.00 1.19 H new ATOM 0 HG3 GLN A 13 4.894 -2.166 8.445 1.00 1.19 H new ATOM 0 HE21 GLN A 13 4.601 -2.830 10.609 1.00 2.08 H new ATOM 0 HE22 GLN A 13 5.855 -2.709 11.847 1.00 2.08 H new ATOM 226 N VAL A 14 4.975 0.294 5.842 1.00 0.56 N ATOM 227 CA VAL A 14 4.748 1.736 5.528 1.00 0.58 C ATOM 228 C VAL A 14 3.517 2.221 6.299 1.00 0.58 C ATOM 229 O VAL A 14 2.454 1.634 6.216 1.00 0.61 O ATOM 230 CB VAL A 14 4.507 1.912 4.025 1.00 0.62 C ATOM 231 CG1 VAL A 14 4.370 3.402 3.697 1.00 1.18 C ATOM 232 CG2 VAL A 14 5.687 1.331 3.245 1.00 1.37 C ATOM 0 H VAL A 14 4.127 -0.246 6.014 1.00 0.56 H new ATOM 0 HA VAL A 14 5.625 2.315 5.817 1.00 0.58 H new ATOM 0 HB VAL A 14 3.591 1.391 3.745 1.00 0.62 H new ATOM 0 HG11 VAL A 14 4.199 3.525 2.628 1.00 1.18 H new ATOM 0 HG12 VAL A 14 3.529 3.820 4.250 1.00 1.18 H new ATOM 0 HG13 VAL A 14 5.285 3.922 3.980 1.00 1.18 H new ATOM 0 HG21 VAL A 14 5.514 1.457 2.176 1.00 1.37 H new ATOM 0 HG22 VAL A 14 6.602 1.851 3.528 1.00 1.37 H new ATOM 0 HG23 VAL A 14 5.787 0.270 3.474 1.00 1.37 H new ATOM 242 N ASP A 15 3.653 3.287 7.047 1.00 0.62 N ATOM 243 CA ASP A 15 2.493 3.815 7.826 1.00 0.66 C ATOM 244 C ASP A 15 1.380 4.234 6.862 1.00 0.63 C ATOM 245 O ASP A 15 1.641 4.667 5.755 1.00 0.66 O ATOM 246 CB ASP A 15 2.940 5.027 8.648 1.00 0.77 C ATOM 247 CG ASP A 15 3.548 4.552 9.969 1.00 1.05 C ATOM 248 OD1 ASP A 15 3.015 3.616 10.541 1.00 1.80 O ATOM 249 OD2 ASP A 15 4.535 5.135 10.387 1.00 1.61 O ATOM 0 H ASP A 15 4.519 3.815 7.152 1.00 0.62 H new ATOM 0 HA ASP A 15 2.121 3.039 8.495 1.00 0.66 H new ATOM 0 HB2 ASP A 15 3.671 5.610 8.088 1.00 0.77 H new ATOM 0 HB3 ASP A 15 2.090 5.682 8.841 1.00 0.77 H new ATOM 254 N ILE A 16 0.142 4.108 7.273 1.00 0.71 N ATOM 255 CA ILE A 16 -0.991 4.496 6.386 1.00 0.77 C ATOM 256 C ILE A 16 -0.898 5.995 6.066 1.00 0.84 C ATOM 257 O ILE A 16 -1.298 6.438 5.006 1.00 1.12 O ATOM 258 CB ILE A 16 -2.315 4.178 7.096 1.00 0.89 C ATOM 259 CG1 ILE A 16 -3.489 4.564 6.194 1.00 1.50 C ATOM 260 CG2 ILE A 16 -2.404 4.958 8.410 1.00 1.32 C ATOM 261 CD1 ILE A 16 -4.757 3.850 6.668 1.00 1.67 C ATOM 0 H ILE A 16 -0.130 3.751 8.189 1.00 0.71 H new ATOM 0 HA ILE A 16 -0.945 3.936 5.452 1.00 0.77 H new ATOM 0 HB ILE A 16 -2.355 3.110 7.309 1.00 0.89 H new ATOM 0 HG12 ILE A 16 -3.638 5.644 6.216 1.00 1.50 H new ATOM 0 HG13 ILE A 16 -3.271 4.293 5.161 1.00 1.50 H new ATOM 0 HG21 ILE A 16 -3.346 4.727 8.907 1.00 1.32 H new ATOM 0 HG22 ILE A 16 -1.573 4.676 9.057 1.00 1.32 H new ATOM 0 HG23 ILE A 16 -2.356 6.027 8.203 1.00 1.32 H new ATOM 0 HD11 ILE A 16 -5.592 4.126 6.024 1.00 1.67 H new ATOM 0 HD12 ILE A 16 -4.606 2.771 6.623 1.00 1.67 H new ATOM 0 HD13 ILE A 16 -4.978 4.143 7.694 1.00 1.67 H new ATOM 273 N SER A 17 -0.368 6.771 6.978 1.00 0.83 N ATOM 274 CA SER A 17 -0.240 8.238 6.737 1.00 0.94 C ATOM 275 C SER A 17 0.878 8.490 5.724 1.00 0.92 C ATOM 276 O SER A 17 0.792 9.384 4.903 1.00 1.04 O ATOM 277 CB SER A 17 0.098 8.942 8.052 1.00 1.04 C ATOM 278 OG SER A 17 -1.097 9.152 8.792 1.00 1.69 O ATOM 0 H SER A 17 -0.018 6.450 7.881 1.00 0.83 H new ATOM 0 HA SER A 17 -1.181 8.627 6.347 1.00 0.94 H new ATOM 0 HB2 SER A 17 0.797 8.339 8.631 1.00 1.04 H new ATOM 0 HB3 SER A 17 0.588 9.895 7.852 1.00 1.04 H new ATOM 0 HG SER A 17 -0.884 9.602 9.636 1.00 1.69 H new ATOM 284 N LYS A 18 1.925 7.707 5.779 1.00 0.83 N ATOM 285 CA LYS A 18 3.056 7.891 4.824 1.00 0.88 C ATOM 286 C LYS A 18 2.570 7.608 3.399 1.00 0.84 C ATOM 287 O LYS A 18 3.025 8.214 2.448 1.00 0.91 O ATOM 288 CB LYS A 18 4.191 6.921 5.190 1.00 0.90 C ATOM 289 CG LYS A 18 5.445 7.710 5.578 1.00 1.25 C ATOM 290 CD LYS A 18 6.295 6.877 6.539 1.00 1.52 C ATOM 291 CE LYS A 18 7.661 7.541 6.717 1.00 1.87 C ATOM 292 NZ LYS A 18 7.555 8.629 7.731 1.00 2.51 N ATOM 0 H LYS A 18 2.044 6.946 6.447 1.00 0.83 H new ATOM 0 HA LYS A 18 3.424 8.916 4.881 1.00 0.88 H new ATOM 0 HB2 LYS A 18 3.882 6.282 6.017 1.00 0.90 H new ATOM 0 HB3 LYS A 18 4.409 6.267 4.346 1.00 0.90 H new ATOM 0 HG2 LYS A 18 6.022 7.958 4.687 1.00 1.25 H new ATOM 0 HG3 LYS A 18 5.164 8.652 6.048 1.00 1.25 H new ATOM 0 HD2 LYS A 18 5.793 6.789 7.503 1.00 1.52 H new ATOM 0 HD3 LYS A 18 6.418 5.866 6.150 1.00 1.52 H new ATOM 0 HE2 LYS A 18 8.398 6.803 7.035 1.00 1.87 H new ATOM 0 HE3 LYS A 18 8.007 7.947 5.766 1.00 1.87 H new ATOM 0 HZ1 LYS A 18 8.483 9.081 7.853 1.00 2.51 H new ATOM 0 HZ2 LYS A 18 6.864 9.337 7.410 1.00 2.51 H new ATOM 0 HZ3 LYS A 18 7.243 8.228 8.639 1.00 2.51 H new ATOM 306 N ILE A 19 1.648 6.690 3.249 1.00 0.80 N ATOM 307 CA ILE A 19 1.127 6.359 1.890 1.00 0.81 C ATOM 308 C ILE A 19 0.441 7.590 1.294 1.00 0.88 C ATOM 309 O ILE A 19 0.116 8.532 1.991 1.00 1.08 O ATOM 310 CB ILE A 19 0.123 5.205 1.997 1.00 0.81 C ATOM 311 CG1 ILE A 19 0.820 3.995 2.623 1.00 0.79 C ATOM 312 CG2 ILE A 19 -0.397 4.827 0.603 1.00 0.86 C ATOM 313 CD1 ILE A 19 -0.190 2.863 2.798 1.00 0.73 C ATOM 0 H ILE A 19 1.234 6.155 4.012 1.00 0.80 H new ATOM 0 HA ILE A 19 1.952 6.060 1.244 1.00 0.81 H new ATOM 0 HB ILE A 19 -0.718 5.515 2.617 1.00 0.81 H new ATOM 0 HG12 ILE A 19 1.644 3.667 1.989 1.00 0.79 H new ATOM 0 HG13 ILE A 19 1.249 4.267 3.587 1.00 0.79 H new ATOM 0 HG21 ILE A 19 -1.109 4.007 0.690 1.00 0.86 H new ATOM 0 HG22 ILE A 19 -0.890 5.689 0.152 1.00 0.86 H new ATOM 0 HG23 ILE A 19 0.438 4.517 -0.025 1.00 0.86 H new ATOM 0 HD11 ILE A 19 0.304 2.000 3.244 1.00 0.73 H new ATOM 0 HD12 ILE A 19 -0.999 3.194 3.449 1.00 0.73 H new ATOM 0 HD13 ILE A 19 -0.598 2.586 1.826 1.00 0.73 H new ATOM 325 N LYS A 20 0.222 7.579 0.006 1.00 0.84 N ATOM 326 CA LYS A 20 -0.442 8.740 -0.658 1.00 0.95 C ATOM 327 C LYS A 20 -1.708 8.265 -1.373 1.00 0.96 C ATOM 328 O LYS A 20 -2.813 8.563 -0.960 1.00 1.12 O ATOM 329 CB LYS A 20 0.514 9.362 -1.679 1.00 0.96 C ATOM 330 CG LYS A 20 1.257 10.536 -1.040 1.00 1.35 C ATOM 331 CD LYS A 20 2.203 11.160 -2.070 1.00 1.55 C ATOM 332 CE LYS A 20 2.328 12.662 -1.810 1.00 2.08 C ATOM 333 NZ LYS A 20 2.841 13.336 -3.037 1.00 2.51 N ATOM 0 H LYS A 20 0.475 6.813 -0.618 1.00 0.84 H new ATOM 0 HA LYS A 20 -0.705 9.484 0.094 1.00 0.95 H new ATOM 0 HB2 LYS A 20 1.227 8.614 -2.027 1.00 0.96 H new ATOM 0 HB3 LYS A 20 -0.042 9.703 -2.552 1.00 0.96 H new ATOM 0 HG2 LYS A 20 0.545 11.281 -0.685 1.00 1.35 H new ATOM 0 HG3 LYS A 20 1.821 10.195 -0.172 1.00 1.35 H new ATOM 0 HD2 LYS A 20 3.184 10.688 -2.011 1.00 1.55 H new ATOM 0 HD3 LYS A 20 1.826 10.986 -3.078 1.00 1.55 H new ATOM 0 HE2 LYS A 20 1.359 13.076 -1.533 1.00 2.08 H new ATOM 0 HE3 LYS A 20 3.003 12.843 -0.973 1.00 2.08 H new ATOM 0 HZ1 LYS A 20 2.927 14.358 -2.862 1.00 2.51 H new ATOM 0 HZ2 LYS A 20 3.774 12.947 -3.282 1.00 2.51 H new ATOM 0 HZ3 LYS A 20 2.181 13.174 -3.824 1.00 2.51 H new ATOM 347 N LYS A 21 -1.552 7.529 -2.444 1.00 0.88 N ATOM 348 CA LYS A 21 -2.741 7.030 -3.196 1.00 0.94 C ATOM 349 C LYS A 21 -2.774 5.502 -3.141 1.00 0.83 C ATOM 350 O LYS A 21 -1.767 4.860 -2.902 1.00 0.77 O ATOM 351 CB LYS A 21 -2.653 7.490 -4.653 1.00 1.06 C ATOM 352 CG LYS A 21 -3.258 8.890 -4.783 1.00 1.60 C ATOM 353 CD LYS A 21 -3.388 9.254 -6.263 1.00 1.97 C ATOM 354 CE LYS A 21 -4.587 10.183 -6.460 1.00 2.64 C ATOM 355 NZ LYS A 21 -4.465 10.877 -7.774 1.00 3.36 N ATOM 0 H LYS A 21 -0.650 7.252 -2.830 1.00 0.88 H new ATOM 0 HA LYS A 21 -3.650 7.428 -2.746 1.00 0.94 H new ATOM 0 HB2 LYS A 21 -1.613 7.500 -4.980 1.00 1.06 H new ATOM 0 HB3 LYS A 21 -3.184 6.791 -5.299 1.00 1.06 H new ATOM 0 HG2 LYS A 21 -4.236 8.921 -4.303 1.00 1.60 H new ATOM 0 HG3 LYS A 21 -2.629 9.619 -4.272 1.00 1.60 H new ATOM 0 HD2 LYS A 21 -2.477 9.742 -6.609 1.00 1.97 H new ATOM 0 HD3 LYS A 21 -3.513 8.351 -6.860 1.00 1.97 H new ATOM 0 HE2 LYS A 21 -5.514 9.611 -6.423 1.00 2.64 H new ATOM 0 HE3 LYS A 21 -4.631 10.914 -5.653 1.00 2.64 H new ATOM 0 HZ1 LYS A 21 -5.280 11.509 -7.910 1.00 3.36 H new ATOM 0 HZ2 LYS A 21 -3.587 11.435 -7.792 1.00 3.36 H new ATOM 0 HZ3 LYS A 21 -4.443 10.172 -8.538 1.00 3.36 H new ATOM 369 N VAL A 22 -3.925 4.915 -3.356 1.00 0.89 N ATOM 370 CA VAL A 22 -4.031 3.426 -3.313 1.00 0.82 C ATOM 371 C VAL A 22 -5.126 2.964 -4.275 1.00 0.92 C ATOM 372 O VAL A 22 -6.262 3.393 -4.185 1.00 1.24 O ATOM 373 CB VAL A 22 -4.387 2.975 -1.893 1.00 0.99 C ATOM 374 CG1 VAL A 22 -4.256 1.454 -1.793 1.00 1.80 C ATOM 375 CG2 VAL A 22 -3.436 3.631 -0.887 1.00 1.80 C ATOM 0 H VAL A 22 -4.796 5.404 -3.560 1.00 0.89 H new ATOM 0 HA VAL A 22 -3.076 2.990 -3.606 1.00 0.82 H new ATOM 0 HB VAL A 22 -5.412 3.271 -1.669 1.00 0.99 H new ATOM 0 HG11 VAL A 22 -4.509 1.133 -0.783 1.00 1.80 H new ATOM 0 HG12 VAL A 22 -4.934 0.983 -2.504 1.00 1.80 H new ATOM 0 HG13 VAL A 22 -3.231 1.161 -2.021 1.00 1.80 H new ATOM 0 HG21 VAL A 22 -3.693 3.307 0.121 1.00 1.80 H new ATOM 0 HG22 VAL A 22 -2.410 3.338 -1.112 1.00 1.80 H new ATOM 0 HG23 VAL A 22 -3.527 4.715 -0.954 1.00 1.80 H new ATOM 385 N TRP A 23 -4.796 2.089 -5.191 1.00 0.88 N ATOM 386 CA TRP A 23 -5.817 1.591 -6.157 1.00 1.06 C ATOM 387 C TRP A 23 -5.548 0.113 -6.470 1.00 0.93 C ATOM 388 O TRP A 23 -4.466 -0.251 -6.897 1.00 1.22 O ATOM 389 CB TRP A 23 -5.763 2.428 -7.446 1.00 1.60 C ATOM 390 CG TRP A 23 -4.438 2.260 -8.127 1.00 1.11 C ATOM 391 CD1 TRP A 23 -4.221 1.483 -9.212 1.00 0.93 C ATOM 392 CD2 TRP A 23 -3.155 2.862 -7.790 1.00 0.91 C ATOM 393 NE1 TRP A 23 -2.887 1.568 -9.564 1.00 0.86 N ATOM 394 CE2 TRP A 23 -2.188 2.406 -8.718 1.00 0.80 C ATOM 395 CE3 TRP A 23 -2.739 3.749 -6.781 1.00 1.02 C ATOM 396 CZ2 TRP A 23 -0.857 2.815 -8.648 1.00 0.91 C ATOM 397 CZ3 TRP A 23 -1.399 4.163 -6.708 1.00 0.83 C ATOM 398 CH2 TRP A 23 -0.460 3.697 -7.640 1.00 0.82 C ATOM 0 H TRP A 23 -3.861 1.698 -5.310 1.00 0.88 H new ATOM 0 HA TRP A 23 -6.811 1.685 -5.719 1.00 1.06 H new ATOM 0 HB2 TRP A 23 -6.565 2.123 -8.118 1.00 1.60 H new ATOM 0 HB3 TRP A 23 -5.927 3.480 -7.211 1.00 1.60 H new ATOM 0 HD1 TRP A 23 -4.968 0.892 -9.721 1.00 0.93 H new ATOM 0 HE1 TRP A 23 -2.470 1.072 -10.352 1.00 0.86 H new ATOM 0 HE3 TRP A 23 -3.454 4.114 -6.058 1.00 1.02 H new ATOM 0 HZ2 TRP A 23 -0.138 2.453 -9.368 1.00 0.91 H new ATOM 0 HZ3 TRP A 23 -1.090 4.844 -5.929 1.00 0.83 H new ATOM 0 HH2 TRP A 23 0.569 4.020 -7.578 1.00 0.82 H new ATOM 409 N ARG A 24 -6.521 -0.736 -6.255 1.00 0.90 N ATOM 410 CA ARG A 24 -6.327 -2.181 -6.533 1.00 0.94 C ATOM 411 C ARG A 24 -6.491 -2.443 -8.035 1.00 1.10 C ATOM 412 O ARG A 24 -7.499 -2.105 -8.626 1.00 1.55 O ATOM 413 CB ARG A 24 -7.343 -3.011 -5.732 1.00 0.94 C ATOM 414 CG ARG A 24 -8.774 -2.674 -6.168 1.00 1.55 C ATOM 415 CD ARG A 24 -9.786 -3.366 -5.235 1.00 1.82 C ATOM 416 NE ARG A 24 -10.814 -4.130 -6.026 1.00 2.11 N ATOM 417 CZ ARG A 24 -11.325 -3.640 -7.132 1.00 2.63 C ATOM 418 NH1 ARG A 24 -12.236 -2.708 -7.075 1.00 3.17 N ATOM 419 NH2 ARG A 24 -10.916 -4.084 -8.289 1.00 3.29 N ATOM 0 H ARG A 24 -7.443 -0.484 -5.898 1.00 0.90 H new ATOM 0 HA ARG A 24 -5.322 -2.475 -6.230 1.00 0.94 H new ATOM 0 HB2 ARG A 24 -7.152 -4.074 -5.881 1.00 0.94 H new ATOM 0 HB3 ARG A 24 -7.225 -2.812 -4.667 1.00 0.94 H new ATOM 0 HG2 ARG A 24 -8.925 -1.595 -6.145 1.00 1.55 H new ATOM 0 HG3 ARG A 24 -8.935 -2.997 -7.196 1.00 1.55 H new ATOM 0 HD2 ARG A 24 -9.261 -4.045 -4.563 1.00 1.82 H new ATOM 0 HD3 ARG A 24 -10.281 -2.621 -4.613 1.00 1.82 H new ATOM 0 HE ARG A 24 -11.119 -5.046 -5.697 1.00 2.11 H new ATOM 0 HH11 ARG A 24 -12.552 -2.359 -6.170 1.00 3.17 H new ATOM 0 HH12 ARG A 24 -12.632 -2.328 -7.935 1.00 3.17 H new ATOM 0 HH21 ARG A 24 -10.201 -4.810 -8.333 1.00 3.29 H new ATOM 0 HH22 ARG A 24 -11.311 -3.705 -9.149 1.00 3.29 H new ATOM 433 N VAL A 25 -5.504 -3.039 -8.654 1.00 0.92 N ATOM 434 CA VAL A 25 -5.594 -3.324 -10.115 1.00 1.07 C ATOM 435 C VAL A 25 -5.849 -4.818 -10.324 1.00 1.07 C ATOM 436 O VAL A 25 -5.051 -5.652 -9.939 1.00 1.34 O ATOM 437 CB VAL A 25 -4.282 -2.927 -10.793 1.00 1.30 C ATOM 438 CG1 VAL A 25 -4.412 -3.103 -12.307 1.00 1.48 C ATOM 439 CG2 VAL A 25 -3.970 -1.461 -10.478 1.00 1.45 C ATOM 0 H VAL A 25 -4.638 -3.341 -8.208 1.00 0.92 H new ATOM 0 HA VAL A 25 -6.413 -2.751 -10.550 1.00 1.07 H new ATOM 0 HB VAL A 25 -3.477 -3.561 -10.422 1.00 1.30 H new ATOM 0 HG11 VAL A 25 -3.476 -2.819 -12.788 1.00 1.48 H new ATOM 0 HG12 VAL A 25 -4.636 -4.145 -12.534 1.00 1.48 H new ATOM 0 HG13 VAL A 25 -5.217 -2.470 -12.679 1.00 1.48 H new ATOM 0 HG21 VAL A 25 -3.035 -1.176 -10.960 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -4.777 -0.829 -10.849 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.876 -1.333 -9.400 1.00 1.45 H new ATOM 449 N GLY A 26 -6.957 -5.158 -10.932 1.00 1.03 N ATOM 450 CA GLY A 26 -7.276 -6.595 -11.173 1.00 1.15 C ATOM 451 C GLY A 26 -7.490 -7.303 -9.835 1.00 1.09 C ATOM 452 O GLY A 26 -8.539 -7.194 -9.227 1.00 1.66 O ATOM 0 H GLY A 26 -7.656 -4.498 -11.273 1.00 1.03 H new ATOM 0 HA2 GLY A 26 -8.171 -6.681 -11.789 1.00 1.15 H new ATOM 0 HA3 GLY A 26 -6.464 -7.071 -11.722 1.00 1.15 H new ATOM 456 N LYS A 27 -6.504 -8.031 -9.374 1.00 0.98 N ATOM 457 CA LYS A 27 -6.644 -8.754 -8.075 1.00 1.34 C ATOM 458 C LYS A 27 -5.603 -8.235 -7.080 1.00 1.18 C ATOM 459 O LYS A 27 -5.870 -8.116 -5.900 1.00 1.54 O ATOM 460 CB LYS A 27 -6.434 -10.253 -8.300 1.00 1.79 C ATOM 461 CG LYS A 27 -7.781 -10.919 -8.585 1.00 2.46 C ATOM 462 CD LYS A 27 -7.729 -12.388 -8.154 1.00 3.18 C ATOM 463 CE LYS A 27 -7.258 -13.254 -9.326 1.00 3.89 C ATOM 464 NZ LYS A 27 -8.076 -14.499 -9.383 1.00 4.48 N ATOM 0 H LYS A 27 -5.607 -8.155 -9.843 1.00 0.98 H new ATOM 0 HA LYS A 27 -7.643 -8.583 -7.673 1.00 1.34 H new ATOM 0 HB2 LYS A 27 -5.752 -10.414 -9.135 1.00 1.79 H new ATOM 0 HB3 LYS A 27 -5.973 -10.703 -7.421 1.00 1.79 H new ATOM 0 HG2 LYS A 27 -8.575 -10.400 -8.049 1.00 2.46 H new ATOM 0 HG3 LYS A 27 -8.015 -10.849 -9.647 1.00 2.46 H new ATOM 0 HD2 LYS A 27 -7.052 -12.505 -7.308 1.00 3.18 H new ATOM 0 HD3 LYS A 27 -8.714 -12.714 -7.821 1.00 3.18 H new ATOM 0 HE2 LYS A 27 -7.351 -12.702 -10.261 1.00 3.89 H new ATOM 0 HE3 LYS A 27 -6.204 -13.504 -9.207 1.00 3.89 H new ATOM 0 HZ1 LYS A 27 -7.757 -15.088 -10.179 1.00 4.48 H new ATOM 0 HZ2 LYS A 27 -7.965 -15.028 -8.494 1.00 4.48 H new ATOM 0 HZ3 LYS A 27 -9.077 -14.251 -9.516 1.00 4.48 H new ATOM 478 N MET A 28 -4.419 -7.930 -7.548 1.00 0.93 N ATOM 479 CA MET A 28 -3.356 -7.420 -6.633 1.00 0.78 C ATOM 480 C MET A 28 -3.696 -5.992 -6.195 1.00 0.76 C ATOM 481 O MET A 28 -4.736 -5.460 -6.534 1.00 1.03 O ATOM 482 CB MET A 28 -2.008 -7.427 -7.359 1.00 0.78 C ATOM 483 CG MET A 28 -1.325 -8.782 -7.159 1.00 0.80 C ATOM 484 SD MET A 28 0.337 -8.734 -7.876 1.00 0.94 S ATOM 485 CE MET A 28 1.207 -8.161 -6.397 1.00 0.97 C ATOM 0 H MET A 28 -4.143 -8.013 -8.527 1.00 0.93 H new ATOM 0 HA MET A 28 -3.297 -8.062 -5.754 1.00 0.78 H new ATOM 0 HB2 MET A 28 -2.155 -7.236 -8.422 1.00 0.78 H new ATOM 0 HB3 MET A 28 -1.373 -6.628 -6.976 1.00 0.78 H new ATOM 0 HG2 MET A 28 -1.267 -9.019 -6.097 1.00 0.80 H new ATOM 0 HG3 MET A 28 -1.913 -9.570 -7.630 1.00 0.80 H new ATOM 0 HE1 MET A 28 2.270 -8.060 -6.616 1.00 0.97 H new ATOM 0 HE2 MET A 28 0.806 -7.195 -6.090 1.00 0.97 H new ATOM 0 HE3 MET A 28 1.070 -8.883 -5.592 1.00 0.97 H new ATOM 495 N ILE A 29 -2.822 -5.374 -5.443 1.00 0.65 N ATOM 496 CA ILE A 29 -3.076 -3.981 -4.969 1.00 0.64 C ATOM 497 C ILE A 29 -1.778 -3.168 -5.075 1.00 0.61 C ATOM 498 O ILE A 29 -0.707 -3.650 -4.757 1.00 0.71 O ATOM 499 CB ILE A 29 -3.560 -4.024 -3.509 1.00 0.65 C ATOM 500 CG1 ILE A 29 -4.907 -4.750 -3.446 1.00 0.73 C ATOM 501 CG2 ILE A 29 -3.733 -2.603 -2.958 1.00 0.68 C ATOM 502 CD1 ILE A 29 -5.300 -4.972 -1.984 1.00 1.31 C ATOM 0 H ILE A 29 -1.937 -5.778 -5.135 1.00 0.65 H new ATOM 0 HA ILE A 29 -3.843 -3.509 -5.584 1.00 0.64 H new ATOM 0 HB ILE A 29 -2.818 -4.550 -2.908 1.00 0.65 H new ATOM 0 HG12 ILE A 29 -5.672 -4.163 -3.954 1.00 0.73 H new ATOM 0 HG13 ILE A 29 -4.841 -5.706 -3.965 1.00 0.73 H new ATOM 0 HG21 ILE A 29 -4.076 -2.653 -1.924 1.00 0.68 H new ATOM 0 HG22 ILE A 29 -2.779 -2.078 -2.999 1.00 0.68 H new ATOM 0 HG23 ILE A 29 -4.468 -2.067 -3.559 1.00 0.68 H new ATOM 0 HD11 ILE A 29 -6.259 -5.489 -1.939 1.00 1.31 H new ATOM 0 HD12 ILE A 29 -4.539 -5.576 -1.490 1.00 1.31 H new ATOM 0 HD13 ILE A 29 -5.383 -4.009 -1.479 1.00 1.31 H new ATOM 514 N SER A 30 -1.874 -1.937 -5.517 1.00 0.65 N ATOM 515 CA SER A 30 -0.654 -1.085 -5.644 1.00 0.65 C ATOM 516 C SER A 30 -0.898 0.266 -4.969 1.00 0.65 C ATOM 517 O SER A 30 -2.011 0.599 -4.610 1.00 0.95 O ATOM 518 CB SER A 30 -0.338 -0.861 -7.123 1.00 0.72 C ATOM 519 OG SER A 30 -0.037 -2.108 -7.734 1.00 0.88 O ATOM 0 H SER A 30 -2.746 -1.487 -5.795 1.00 0.65 H new ATOM 0 HA SER A 30 0.186 -1.586 -5.163 1.00 0.65 H new ATOM 0 HB2 SER A 30 -1.188 -0.395 -7.621 1.00 0.72 H new ATOM 0 HB3 SER A 30 0.506 -0.179 -7.227 1.00 0.72 H new ATOM 0 HG SER A 30 0.164 -1.967 -8.683 1.00 0.88 H new ATOM 525 N PHE A 31 0.139 1.047 -4.801 1.00 0.54 N ATOM 526 CA PHE A 31 -0.016 2.387 -4.154 1.00 0.54 C ATOM 527 C PHE A 31 1.270 3.195 -4.339 1.00 0.56 C ATOM 528 O PHE A 31 2.199 2.757 -4.992 1.00 0.82 O ATOM 529 CB PHE A 31 -0.318 2.245 -2.647 1.00 0.61 C ATOM 530 CG PHE A 31 0.369 1.029 -2.052 1.00 0.70 C ATOM 531 CD1 PHE A 31 1.727 0.786 -2.301 1.00 1.36 C ATOM 532 CD2 PHE A 31 -0.363 0.145 -1.250 1.00 1.44 C ATOM 533 CE1 PHE A 31 2.349 -0.341 -1.748 1.00 1.44 C ATOM 534 CE2 PHE A 31 0.260 -0.979 -0.697 1.00 1.61 C ATOM 535 CZ PHE A 31 1.615 -1.222 -0.947 1.00 1.11 C ATOM 0 H PHE A 31 1.091 0.814 -5.085 1.00 0.54 H new ATOM 0 HA PHE A 31 -0.853 2.901 -4.627 1.00 0.54 H new ATOM 0 HB2 PHE A 31 0.011 3.142 -2.123 1.00 0.61 H new ATOM 0 HB3 PHE A 31 -1.395 2.165 -2.497 1.00 0.61 H new ATOM 0 HD1 PHE A 31 2.293 1.467 -2.919 1.00 1.36 H new ATOM 0 HD2 PHE A 31 -1.409 0.331 -1.058 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.395 -0.529 -1.940 1.00 1.44 H new ATOM 0 HE2 PHE A 31 -0.305 -1.659 -0.077 1.00 1.61 H new ATOM 0 HZ PHE A 31 2.095 -2.091 -0.521 1.00 1.11 H new ATOM 545 N THR A 32 1.327 4.367 -3.763 1.00 0.57 N ATOM 546 CA THR A 32 2.539 5.212 -3.887 1.00 0.58 C ATOM 547 C THR A 32 2.898 5.774 -2.511 1.00 0.60 C ATOM 548 O THR A 32 2.200 6.616 -1.979 1.00 0.74 O ATOM 549 CB THR A 32 2.273 6.369 -4.858 1.00 0.64 C ATOM 550 OG1 THR A 32 1.348 7.273 -4.271 1.00 0.73 O ATOM 551 CG2 THR A 32 1.698 5.828 -6.168 1.00 0.70 C ATOM 0 H THR A 32 0.575 4.774 -3.207 1.00 0.57 H new ATOM 0 HA THR A 32 3.363 4.610 -4.269 1.00 0.58 H new ATOM 0 HB THR A 32 3.210 6.886 -5.066 1.00 0.64 H new ATOM 0 HG1 THR A 32 1.228 7.050 -3.324 1.00 0.73 H new ATOM 0 HG21 THR A 32 1.512 6.655 -6.853 1.00 0.70 H new ATOM 0 HG22 THR A 32 2.409 5.137 -6.620 1.00 0.70 H new ATOM 0 HG23 THR A 32 0.763 5.306 -5.967 1.00 0.70 H new ATOM 559 N TYR A 33 3.976 5.314 -1.929 1.00 0.64 N ATOM 560 CA TYR A 33 4.376 5.822 -0.584 1.00 0.67 C ATOM 561 C TYR A 33 5.633 6.684 -0.718 1.00 0.74 C ATOM 562 O TYR A 33 6.511 6.395 -1.508 1.00 0.81 O ATOM 563 CB TYR A 33 4.654 4.643 0.353 1.00 0.64 C ATOM 564 CG TYR A 33 5.663 3.712 -0.279 1.00 0.62 C ATOM 565 CD1 TYR A 33 7.027 4.025 -0.237 1.00 1.31 C ATOM 566 CD2 TYR A 33 5.234 2.535 -0.904 1.00 1.42 C ATOM 567 CE1 TYR A 33 7.962 3.161 -0.820 1.00 1.32 C ATOM 568 CE2 TYR A 33 6.169 1.671 -1.488 1.00 1.44 C ATOM 569 CZ TYR A 33 7.533 1.984 -1.446 1.00 0.70 C ATOM 570 OH TYR A 33 8.455 1.133 -2.020 1.00 0.78 O ATOM 0 H TYR A 33 4.596 4.609 -2.328 1.00 0.64 H new ATOM 0 HA TYR A 33 3.567 6.424 -0.169 1.00 0.67 H new ATOM 0 HB2 TYR A 33 5.031 5.007 1.309 1.00 0.64 H new ATOM 0 HB3 TYR A 33 3.729 4.105 0.559 1.00 0.64 H new ATOM 0 HD1 TYR A 33 7.358 4.933 0.245 1.00 1.31 H new ATOM 0 HD2 TYR A 33 4.182 2.293 -0.936 1.00 1.42 H new ATOM 0 HE1 TYR A 33 9.014 3.402 -0.787 1.00 1.32 H new ATOM 0 HE2 TYR A 33 5.838 0.763 -1.971 1.00 1.44 H new ATOM 0 HH TYR A 33 8.211 0.969 -2.955 1.00 0.78 H new ATOM 580 N ASP A 34 5.719 7.743 0.047 1.00 0.87 N ATOM 581 CA ASP A 34 6.914 8.634 -0.031 1.00 0.98 C ATOM 582 C ASP A 34 8.074 8.008 0.747 1.00 1.02 C ATOM 583 O ASP A 34 8.039 7.912 1.960 1.00 1.14 O ATOM 584 CB ASP A 34 6.572 9.999 0.572 1.00 1.18 C ATOM 585 CG ASP A 34 7.320 11.096 -0.188 1.00 1.45 C ATOM 586 OD1 ASP A 34 8.540 11.078 -0.168 1.00 2.03 O ATOM 587 OD2 ASP A 34 6.660 11.937 -0.776 1.00 1.89 O ATOM 0 H ASP A 34 5.011 8.029 0.723 1.00 0.87 H new ATOM 0 HA ASP A 34 7.205 8.759 -1.074 1.00 0.98 H new ATOM 0 HB2 ASP A 34 5.497 10.173 0.518 1.00 1.18 H new ATOM 0 HB3 ASP A 34 6.846 10.021 1.627 1.00 1.18 H new ATOM 592 N GLU A 35 9.100 7.583 0.055 1.00 1.12 N ATOM 593 CA GLU A 35 10.270 6.961 0.741 1.00 1.30 C ATOM 594 C GLU A 35 10.935 7.996 1.651 1.00 1.54 C ATOM 595 O GLU A 35 11.195 7.738 2.812 1.00 2.12 O ATOM 596 CB GLU A 35 11.278 6.483 -0.307 1.00 1.66 C ATOM 597 CG GLU A 35 11.961 5.205 0.183 1.00 2.01 C ATOM 598 CD GLU A 35 12.926 4.701 -0.892 1.00 2.56 C ATOM 599 OE1 GLU A 35 12.590 4.810 -2.060 1.00 3.05 O ATOM 600 OE2 GLU A 35 13.985 4.215 -0.529 1.00 3.13 O ATOM 0 H GLU A 35 9.177 7.641 -0.960 1.00 1.12 H new ATOM 0 HA GLU A 35 9.934 6.113 1.338 1.00 1.30 H new ATOM 0 HB2 GLU A 35 10.772 6.297 -1.254 1.00 1.66 H new ATOM 0 HB3 GLU A 35 12.022 7.258 -0.490 1.00 1.66 H new ATOM 0 HG2 GLU A 35 12.501 5.400 1.110 1.00 2.01 H new ATOM 0 HG3 GLU A 35 11.214 4.442 0.404 1.00 2.01 H new ATOM 607 N GLY A 36 11.212 9.163 1.128 1.00 1.76 N ATOM 608 CA GLY A 36 11.861 10.225 1.952 1.00 2.33 C ATOM 609 C GLY A 36 13.113 10.730 1.234 1.00 2.51 C ATOM 610 O GLY A 36 14.170 10.853 1.824 1.00 3.18 O ATOM 0 H GLY A 36 11.016 9.426 0.162 1.00 1.76 H new ATOM 0 HA2 GLY A 36 11.166 11.048 2.117 1.00 2.33 H new ATOM 0 HA3 GLY A 36 12.125 9.829 2.933 1.00 2.33 H new ATOM 614 N GLY A 37 13.000 11.022 -0.037 1.00 2.52 N ATOM 615 CA GLY A 37 14.178 11.521 -0.806 1.00 3.22 C ATOM 616 C GLY A 37 13.710 12.514 -1.871 1.00 3.09 C ATOM 617 O GLY A 37 14.220 13.614 -1.973 1.00 3.64 O ATOM 0 H GLY A 37 12.139 10.936 -0.576 1.00 2.52 H new ATOM 0 HA2 GLY A 37 14.888 12.002 -0.133 1.00 3.22 H new ATOM 0 HA3 GLY A 37 14.699 10.687 -1.276 1.00 3.22 H new ATOM 621 N GLY A 38 12.743 12.131 -2.665 1.00 2.62 N ATOM 622 CA GLY A 38 12.231 13.042 -3.730 1.00 2.82 C ATOM 623 C GLY A 38 11.460 12.224 -4.766 1.00 2.17 C ATOM 624 O GLY A 38 10.470 12.672 -5.313 1.00 2.41 O ATOM 0 H GLY A 38 12.284 11.221 -2.620 1.00 2.62 H new ATOM 0 HA2 GLY A 38 11.583 13.802 -3.294 1.00 2.82 H new ATOM 0 HA3 GLY A 38 13.060 13.565 -4.206 1.00 2.82 H new ATOM 628 N LYS A 39 11.908 11.024 -5.034 1.00 1.82 N ATOM 629 CA LYS A 39 11.209 10.159 -6.029 1.00 1.62 C ATOM 630 C LYS A 39 10.144 9.325 -5.316 1.00 1.33 C ATOM 631 O LYS A 39 10.420 8.671 -4.328 1.00 1.74 O ATOM 632 CB LYS A 39 12.220 9.219 -6.688 1.00 2.10 C ATOM 633 CG LYS A 39 12.923 9.938 -7.841 1.00 2.54 C ATOM 634 CD LYS A 39 13.769 8.930 -8.623 1.00 3.31 C ATOM 635 CE LYS A 39 14.986 9.636 -9.223 1.00 3.81 C ATOM 636 NZ LYS A 39 16.037 8.628 -9.541 1.00 4.57 N ATOM 0 H LYS A 39 12.732 10.605 -4.604 1.00 1.82 H new ATOM 0 HA LYS A 39 10.741 10.786 -6.788 1.00 1.62 H new ATOM 0 HB2 LYS A 39 12.954 8.887 -5.953 1.00 2.10 H new ATOM 0 HB3 LYS A 39 11.714 8.328 -7.058 1.00 2.10 H new ATOM 0 HG2 LYS A 39 12.187 10.401 -8.499 1.00 2.54 H new ATOM 0 HG3 LYS A 39 13.554 10.738 -7.455 1.00 2.54 H new ATOM 0 HD2 LYS A 39 14.092 8.123 -7.965 1.00 3.31 H new ATOM 0 HD3 LYS A 39 13.173 8.476 -9.414 1.00 3.31 H new ATOM 0 HE2 LYS A 39 14.699 10.175 -10.126 1.00 3.81 H new ATOM 0 HE3 LYS A 39 15.375 10.374 -8.521 1.00 3.81 H new ATOM 0 HZ1 LYS A 39 16.865 9.107 -9.949 1.00 4.57 H new ATOM 0 HZ2 LYS A 39 16.318 8.133 -8.671 1.00 4.57 H new ATOM 0 HZ3 LYS A 39 15.663 7.940 -10.225 1.00 4.57 H new ATOM 650 N THR A 40 8.929 9.341 -5.808 1.00 1.23 N ATOM 651 CA THR A 40 7.843 8.550 -5.165 1.00 1.01 C ATOM 652 C THR A 40 8.214 7.064 -5.176 1.00 0.97 C ATOM 653 O THR A 40 8.575 6.514 -6.199 1.00 1.64 O ATOM 654 CB THR A 40 6.536 8.757 -5.933 1.00 1.19 C ATOM 655 OG1 THR A 40 6.432 10.117 -6.330 1.00 1.52 O ATOM 656 CG2 THR A 40 5.352 8.394 -5.034 1.00 1.21 C ATOM 0 H THR A 40 8.645 9.872 -6.632 1.00 1.23 H new ATOM 0 HA THR A 40 7.715 8.883 -4.135 1.00 1.01 H new ATOM 0 HB THR A 40 6.528 8.119 -6.817 1.00 1.19 H new ATOM 0 HG1 THR A 40 5.596 10.251 -6.824 1.00 1.52 H new ATOM 0 HG21 THR A 40 4.421 8.542 -5.581 1.00 1.21 H new ATOM 0 HG22 THR A 40 5.433 7.350 -4.730 1.00 1.21 H new ATOM 0 HG23 THR A 40 5.358 9.031 -4.150 1.00 1.21 H new ATOM 664 N GLY A 41 8.131 6.415 -4.043 1.00 0.84 N ATOM 665 CA GLY A 41 8.481 4.965 -3.975 1.00 1.00 C ATOM 666 C GLY A 41 7.229 4.118 -4.207 1.00 0.83 C ATOM 667 O GLY A 41 6.529 3.764 -3.277 1.00 1.04 O ATOM 0 H GLY A 41 7.835 6.829 -3.159 1.00 0.84 H new ATOM 0 HA2 GLY A 41 9.235 4.728 -4.725 1.00 1.00 H new ATOM 0 HA3 GLY A 41 8.914 4.731 -3.002 1.00 1.00 H new ATOM 671 N ARG A 42 6.943 3.792 -5.442 1.00 0.86 N ATOM 672 CA ARG A 42 5.742 2.969 -5.746 1.00 0.76 C ATOM 673 C ARG A 42 5.901 1.585 -5.110 1.00 0.62 C ATOM 674 O ARG A 42 6.992 1.181 -4.752 1.00 0.82 O ATOM 675 CB ARG A 42 5.589 2.826 -7.267 1.00 0.94 C ATOM 676 CG ARG A 42 4.455 3.730 -7.758 1.00 1.32 C ATOM 677 CD ARG A 42 3.858 3.155 -9.044 1.00 1.51 C ATOM 678 NE ARG A 42 4.657 3.622 -10.213 1.00 2.08 N ATOM 679 CZ ARG A 42 4.507 3.053 -11.377 1.00 2.51 C ATOM 680 NH1 ARG A 42 5.073 1.902 -11.620 1.00 2.99 N ATOM 681 NH2 ARG A 42 3.789 3.634 -12.299 1.00 3.06 N ATOM 0 H ARG A 42 7.496 4.064 -6.255 1.00 0.86 H new ATOM 0 HA ARG A 42 4.854 3.454 -5.340 1.00 0.76 H new ATOM 0 HB2 ARG A 42 6.522 3.094 -7.763 1.00 0.94 H new ATOM 0 HB3 ARG A 42 5.378 1.788 -7.525 1.00 0.94 H new ATOM 0 HG2 ARG A 42 3.684 3.811 -6.992 1.00 1.32 H new ATOM 0 HG3 ARG A 42 4.832 4.737 -7.939 1.00 1.32 H new ATOM 0 HD2 ARG A 42 3.857 2.066 -9.002 1.00 1.51 H new ATOM 0 HD3 ARG A 42 2.820 3.471 -9.149 1.00 1.51 H new ATOM 0 HE ARG A 42 5.322 4.388 -10.102 1.00 2.08 H new ATOM 0 HH11 ARG A 42 5.633 1.447 -10.899 1.00 2.99 H new ATOM 0 HH12 ARG A 42 4.955 1.458 -12.531 1.00 2.99 H new ATOM 0 HH21 ARG A 42 3.345 4.533 -12.109 1.00 3.06 H new ATOM 0 HH22 ARG A 42 3.671 3.189 -13.209 1.00 3.06 H new ATOM 695 N GLY A 43 4.821 0.860 -4.969 1.00 0.58 N ATOM 696 CA GLY A 43 4.902 -0.499 -4.356 1.00 0.59 C ATOM 697 C GLY A 43 3.714 -1.344 -4.818 1.00 0.53 C ATOM 698 O GLY A 43 2.631 -0.837 -5.045 1.00 0.64 O ATOM 0 H GLY A 43 3.885 1.151 -5.252 1.00 0.58 H new ATOM 0 HA2 GLY A 43 5.837 -0.982 -4.641 1.00 0.59 H new ATOM 0 HA3 GLY A 43 4.903 -0.419 -3.269 1.00 0.59 H new ATOM 702 N ALA A 44 3.911 -2.631 -4.955 1.00 0.54 N ATOM 703 CA ALA A 44 2.801 -3.524 -5.399 1.00 0.57 C ATOM 704 C ALA A 44 2.601 -4.635 -4.365 1.00 0.58 C ATOM 705 O ALA A 44 3.219 -5.680 -4.436 1.00 1.01 O ATOM 706 CB ALA A 44 3.151 -4.140 -6.756 1.00 0.69 C ATOM 0 H ALA A 44 4.798 -3.103 -4.777 1.00 0.54 H new ATOM 0 HA ALA A 44 1.882 -2.946 -5.493 1.00 0.57 H new ATOM 0 HB1 ALA A 44 2.340 -4.792 -7.080 1.00 0.69 H new ATOM 0 HB2 ALA A 44 3.294 -3.347 -7.490 1.00 0.69 H new ATOM 0 HB3 ALA A 44 4.069 -4.720 -6.666 1.00 0.69 H new ATOM 712 N VAL A 45 1.740 -4.411 -3.406 1.00 0.55 N ATOM 713 CA VAL A 45 1.488 -5.443 -2.357 1.00 0.53 C ATOM 714 C VAL A 45 0.401 -6.407 -2.847 1.00 0.56 C ATOM 715 O VAL A 45 -0.317 -6.114 -3.781 1.00 0.66 O ATOM 716 CB VAL A 45 1.037 -4.743 -1.063 1.00 0.50 C ATOM 717 CG1 VAL A 45 -0.250 -3.954 -1.314 1.00 0.51 C ATOM 718 CG2 VAL A 45 0.784 -5.784 0.032 1.00 0.54 C ATOM 0 H VAL A 45 1.198 -3.553 -3.304 1.00 0.55 H new ATOM 0 HA VAL A 45 2.399 -6.008 -2.159 1.00 0.53 H new ATOM 0 HB VAL A 45 1.824 -4.060 -0.743 1.00 0.50 H new ATOM 0 HG11 VAL A 45 -0.561 -3.462 -0.392 1.00 0.51 H new ATOM 0 HG12 VAL A 45 -0.072 -3.203 -2.084 1.00 0.51 H new ATOM 0 HG13 VAL A 45 -1.035 -4.634 -1.645 1.00 0.51 H new ATOM 0 HG21 VAL A 45 0.465 -5.281 0.945 1.00 0.54 H new ATOM 0 HG22 VAL A 45 0.005 -6.473 -0.294 1.00 0.54 H new ATOM 0 HG23 VAL A 45 1.702 -6.339 0.225 1.00 0.54 H new ATOM 728 N SER A 46 0.276 -7.551 -2.222 1.00 0.58 N ATOM 729 CA SER A 46 -0.766 -8.533 -2.646 1.00 0.63 C ATOM 730 C SER A 46 -2.073 -8.232 -1.910 1.00 0.60 C ATOM 731 O SER A 46 -2.131 -7.354 -1.069 1.00 0.61 O ATOM 732 CB SER A 46 -0.303 -9.950 -2.307 1.00 0.72 C ATOM 733 OG SER A 46 0.671 -10.365 -3.256 1.00 0.78 O ATOM 0 H SER A 46 0.853 -7.847 -1.434 1.00 0.58 H new ATOM 0 HA SER A 46 -0.925 -8.454 -3.721 1.00 0.63 H new ATOM 0 HB2 SER A 46 0.117 -9.977 -1.302 1.00 0.72 H new ATOM 0 HB3 SER A 46 -1.151 -10.634 -2.316 1.00 0.72 H new ATOM 0 HG SER A 46 0.972 -11.273 -3.041 1.00 0.78 H new ATOM 739 N GLU A 47 -3.122 -8.953 -2.220 1.00 0.71 N ATOM 740 CA GLU A 47 -4.430 -8.711 -1.541 1.00 0.74 C ATOM 741 C GLU A 47 -4.432 -9.399 -0.174 1.00 0.75 C ATOM 742 O GLU A 47 -4.977 -8.887 0.785 1.00 0.88 O ATOM 743 CB GLU A 47 -5.564 -9.278 -2.399 1.00 0.89 C ATOM 744 CG GLU A 47 -6.859 -8.521 -2.099 1.00 1.47 C ATOM 745 CD GLU A 47 -8.050 -9.303 -2.656 1.00 1.87 C ATOM 746 OE1 GLU A 47 -8.330 -10.369 -2.133 1.00 2.31 O ATOM 747 OE2 GLU A 47 -8.661 -8.823 -3.597 1.00 2.42 O ATOM 0 H GLU A 47 -3.128 -9.699 -2.915 1.00 0.71 H new ATOM 0 HA GLU A 47 -4.576 -7.639 -1.408 1.00 0.74 H new ATOM 0 HB2 GLU A 47 -5.314 -9.188 -3.456 1.00 0.89 H new ATOM 0 HB3 GLU A 47 -5.695 -10.340 -2.192 1.00 0.89 H new ATOM 0 HG2 GLU A 47 -6.972 -8.384 -1.023 1.00 1.47 H new ATOM 0 HG3 GLU A 47 -6.823 -7.527 -2.545 1.00 1.47 H new ATOM 754 N LYS A 48 -3.827 -10.556 -0.082 1.00 0.81 N ATOM 755 CA LYS A 48 -3.788 -11.286 1.220 1.00 0.86 C ATOM 756 C LYS A 48 -2.793 -10.604 2.160 1.00 0.77 C ATOM 757 O LYS A 48 -2.983 -10.575 3.362 1.00 0.81 O ATOM 758 CB LYS A 48 -3.350 -12.733 0.980 1.00 1.05 C ATOM 759 CG LYS A 48 -4.472 -13.499 0.278 1.00 1.48 C ATOM 760 CD LYS A 48 -4.027 -14.941 0.027 1.00 2.00 C ATOM 761 CE LYS A 48 -4.465 -15.823 1.198 1.00 2.74 C ATOM 762 NZ LYS A 48 -4.322 -17.258 0.821 1.00 3.22 N ATOM 0 H LYS A 48 -3.357 -11.027 -0.855 1.00 0.81 H new ATOM 0 HA LYS A 48 -4.780 -11.275 1.671 1.00 0.86 H new ATOM 0 HB2 LYS A 48 -2.446 -12.754 0.372 1.00 1.05 H new ATOM 0 HB3 LYS A 48 -3.107 -13.212 1.928 1.00 1.05 H new ATOM 0 HG2 LYS A 48 -5.373 -13.487 0.891 1.00 1.48 H new ATOM 0 HG3 LYS A 48 -4.722 -13.015 -0.666 1.00 1.48 H new ATOM 0 HD2 LYS A 48 -4.461 -15.310 -0.902 1.00 2.00 H new ATOM 0 HD3 LYS A 48 -2.944 -14.983 -0.089 1.00 2.00 H new ATOM 0 HE2 LYS A 48 -3.859 -15.605 2.078 1.00 2.74 H new ATOM 0 HE3 LYS A 48 -5.500 -15.607 1.462 1.00 2.74 H new ATOM 0 HZ1 LYS A 48 -4.620 -17.857 1.617 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -4.918 -17.461 -0.007 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -3.328 -17.459 0.589 1.00 3.22 H new ATOM 776 N ASP A 49 -1.734 -10.058 1.620 1.00 0.76 N ATOM 777 CA ASP A 49 -0.716 -9.377 2.473 1.00 0.75 C ATOM 778 C ASP A 49 -1.287 -8.061 3.007 1.00 0.68 C ATOM 779 O ASP A 49 -0.924 -7.610 4.077 1.00 0.77 O ATOM 780 CB ASP A 49 0.534 -9.088 1.640 1.00 0.82 C ATOM 781 CG ASP A 49 1.512 -10.257 1.762 1.00 1.15 C ATOM 782 OD1 ASP A 49 2.122 -10.386 2.811 1.00 1.62 O ATOM 783 OD2 ASP A 49 1.635 -11.004 0.806 1.00 1.78 O ATOM 0 H ASP A 49 -1.530 -10.055 0.621 1.00 0.76 H new ATOM 0 HA ASP A 49 -0.456 -10.024 3.311 1.00 0.75 H new ATOM 0 HB2 ASP A 49 0.261 -8.937 0.596 1.00 0.82 H new ATOM 0 HB3 ASP A 49 1.007 -8.168 1.982 1.00 0.82 H new ATOM 788 N ALA A 50 -2.172 -7.442 2.267 1.00 0.61 N ATOM 789 CA ALA A 50 -2.765 -6.151 2.726 1.00 0.62 C ATOM 790 C ALA A 50 -3.695 -6.411 3.930 1.00 0.71 C ATOM 791 O ALA A 50 -4.386 -7.410 3.949 1.00 0.88 O ATOM 792 CB ALA A 50 -3.571 -5.527 1.585 1.00 0.68 C ATOM 0 H ALA A 50 -2.509 -7.776 1.364 1.00 0.61 H new ATOM 0 HA ALA A 50 -1.968 -5.470 3.023 1.00 0.62 H new ATOM 0 HB1 ALA A 50 -4.005 -4.584 1.919 1.00 0.68 H new ATOM 0 HB2 ALA A 50 -2.915 -5.344 0.734 1.00 0.68 H new ATOM 0 HB3 ALA A 50 -4.369 -6.208 1.288 1.00 0.68 H new ATOM 798 N PRO A 51 -3.700 -5.515 4.909 1.00 0.72 N ATOM 799 CA PRO A 51 -4.559 -5.683 6.097 1.00 0.87 C ATOM 800 C PRO A 51 -6.035 -5.630 5.695 1.00 0.94 C ATOM 801 O PRO A 51 -6.372 -5.680 4.527 1.00 1.02 O ATOM 802 CB PRO A 51 -4.206 -4.501 7.015 1.00 0.96 C ATOM 803 CG PRO A 51 -3.169 -3.621 6.275 1.00 0.96 C ATOM 804 CD PRO A 51 -2.872 -4.286 4.923 1.00 0.77 C ATOM 0 HA PRO A 51 -4.399 -6.642 6.589 1.00 0.87 H new ATOM 0 HB2 PRO A 51 -5.098 -3.922 7.253 1.00 0.96 H new ATOM 0 HB3 PRO A 51 -3.798 -4.860 7.960 1.00 0.96 H new ATOM 0 HG2 PRO A 51 -3.558 -2.613 6.128 1.00 0.96 H new ATOM 0 HG3 PRO A 51 -2.257 -3.528 6.864 1.00 0.96 H new ATOM 0 HD2 PRO A 51 -3.130 -3.627 4.094 1.00 0.77 H new ATOM 0 HD3 PRO A 51 -1.813 -4.523 4.824 1.00 0.77 H new ATOM 812 N LYS A 52 -6.912 -5.526 6.658 1.00 1.05 N ATOM 813 CA LYS A 52 -8.371 -5.466 6.352 1.00 1.21 C ATOM 814 C LYS A 52 -8.828 -4.004 6.278 1.00 1.23 C ATOM 815 O LYS A 52 -9.818 -3.690 5.644 1.00 1.79 O ATOM 816 CB LYS A 52 -9.152 -6.182 7.455 1.00 1.42 C ATOM 817 CG LYS A 52 -9.129 -7.691 7.206 1.00 1.72 C ATOM 818 CD LYS A 52 -9.784 -8.411 8.387 1.00 2.21 C ATOM 819 CE LYS A 52 -10.331 -9.761 7.922 1.00 2.76 C ATOM 820 NZ LYS A 52 -11.688 -9.570 7.336 1.00 3.29 N ATOM 0 H LYS A 52 -6.678 -5.480 7.650 1.00 1.05 H new ATOM 0 HA LYS A 52 -8.556 -5.952 5.394 1.00 1.21 H new ATOM 0 HB2 LYS A 52 -8.715 -5.957 8.428 1.00 1.42 H new ATOM 0 HB3 LYS A 52 -10.181 -5.823 7.477 1.00 1.42 H new ATOM 0 HG2 LYS A 52 -9.659 -7.927 6.283 1.00 1.72 H new ATOM 0 HG3 LYS A 52 -8.102 -8.034 7.081 1.00 1.72 H new ATOM 0 HD2 LYS A 52 -9.057 -8.557 9.186 1.00 2.21 H new ATOM 0 HD3 LYS A 52 -10.590 -7.802 8.796 1.00 2.21 H new ATOM 0 HE2 LYS A 52 -9.662 -10.202 7.183 1.00 2.76 H new ATOM 0 HE3 LYS A 52 -10.380 -10.455 8.761 1.00 2.76 H new ATOM 0 HZ1 LYS A 52 -12.062 -10.487 7.019 1.00 3.29 H new ATOM 0 HZ2 LYS A 52 -12.323 -9.167 8.055 1.00 3.29 H new ATOM 0 HZ3 LYS A 52 -11.628 -8.922 6.525 1.00 3.29 H new ATOM 834 N GLU A 53 -8.122 -3.110 6.929 1.00 0.99 N ATOM 835 CA GLU A 53 -8.520 -1.672 6.905 1.00 1.06 C ATOM 836 C GLU A 53 -7.738 -0.930 5.816 1.00 0.90 C ATOM 837 O GLU A 53 -7.382 0.224 5.980 1.00 1.02 O ATOM 838 CB GLU A 53 -8.216 -1.039 8.265 1.00 1.28 C ATOM 839 CG GLU A 53 -9.389 -1.280 9.217 1.00 1.96 C ATOM 840 CD GLU A 53 -9.022 -0.780 10.615 1.00 2.28 C ATOM 841 OE1 GLU A 53 -8.912 0.423 10.783 1.00 2.76 O ATOM 842 OE2 GLU A 53 -8.856 -1.610 11.494 1.00 2.74 O ATOM 0 H GLU A 53 -7.286 -3.318 7.476 1.00 0.99 H new ATOM 0 HA GLU A 53 -9.587 -1.600 6.693 1.00 1.06 H new ATOM 0 HB2 GLU A 53 -7.304 -1.467 8.681 1.00 1.28 H new ATOM 0 HB3 GLU A 53 -8.043 0.031 8.149 1.00 1.28 H new ATOM 0 HG2 GLU A 53 -10.277 -0.762 8.855 1.00 1.96 H new ATOM 0 HG3 GLU A 53 -9.631 -2.342 9.251 1.00 1.96 H new ATOM 849 N LEU A 54 -7.473 -1.575 4.707 1.00 0.88 N ATOM 850 CA LEU A 54 -6.719 -0.898 3.611 1.00 0.85 C ATOM 851 C LEU A 54 -7.671 -0.594 2.456 1.00 0.82 C ATOM 852 O LEU A 54 -7.667 0.495 1.914 1.00 1.41 O ATOM 853 CB LEU A 54 -5.581 -1.800 3.128 1.00 0.93 C ATOM 854 CG LEU A 54 -4.523 -0.953 2.418 1.00 0.91 C ATOM 855 CD1 LEU A 54 -3.780 -0.098 3.445 1.00 1.48 C ATOM 856 CD2 LEU A 54 -3.528 -1.873 1.708 1.00 1.50 C ATOM 0 H LEU A 54 -7.746 -2.539 4.515 1.00 0.88 H new ATOM 0 HA LEU A 54 -6.294 0.034 3.984 1.00 0.85 H new ATOM 0 HB2 LEU A 54 -5.135 -2.324 3.973 1.00 0.93 H new ATOM 0 HB3 LEU A 54 -5.968 -2.560 2.450 1.00 0.93 H new ATOM 0 HG LEU A 54 -5.007 -0.305 1.687 1.00 0.91 H new ATOM 0 HD11 LEU A 54 -3.026 0.505 2.939 1.00 1.48 H new ATOM 0 HD12 LEU A 54 -4.488 0.557 3.953 1.00 1.48 H new ATOM 0 HD13 LEU A 54 -3.296 -0.746 4.176 1.00 1.48 H new ATOM 0 HD21 LEU A 54 -2.773 -1.271 1.202 1.00 1.50 H new ATOM 0 HD22 LEU A 54 -3.045 -2.520 2.440 1.00 1.50 H new ATOM 0 HD23 LEU A 54 -4.056 -2.484 0.976 1.00 1.50 H new ATOM 868 N LEU A 55 -8.514 -1.534 2.098 1.00 0.89 N ATOM 869 CA LEU A 55 -9.499 -1.280 1.000 1.00 0.92 C ATOM 870 C LEU A 55 -10.395 -0.089 1.392 1.00 0.87 C ATOM 871 O LEU A 55 -11.021 0.532 0.556 1.00 0.99 O ATOM 872 CB LEU A 55 -10.364 -2.526 0.789 1.00 1.17 C ATOM 873 CG LEU A 55 -9.502 -3.658 0.227 1.00 1.27 C ATOM 874 CD1 LEU A 55 -10.161 -5.004 0.534 1.00 1.55 C ATOM 875 CD2 LEU A 55 -9.368 -3.492 -1.289 1.00 1.43 C ATOM 0 H LEU A 55 -8.562 -2.463 2.517 1.00 0.89 H new ATOM 0 HA LEU A 55 -8.968 -1.051 0.076 1.00 0.92 H new ATOM 0 HB2 LEU A 55 -10.815 -2.832 1.733 1.00 1.17 H new ATOM 0 HB3 LEU A 55 -11.181 -2.302 0.103 1.00 1.17 H new ATOM 0 HG LEU A 55 -8.514 -3.624 0.687 1.00 1.27 H new ATOM 0 HD11 LEU A 55 -9.546 -5.810 0.133 1.00 1.55 H new ATOM 0 HD12 LEU A 55 -10.258 -5.124 1.613 1.00 1.55 H new ATOM 0 HD13 LEU A 55 -11.149 -5.039 0.075 1.00 1.55 H new ATOM 0 HD21 LEU A 55 -8.754 -4.298 -1.690 1.00 1.43 H new ATOM 0 HD22 LEU A 55 -10.356 -3.526 -1.747 1.00 1.43 H new ATOM 0 HD23 LEU A 55 -8.898 -2.534 -1.510 1.00 1.43 H new ATOM 887 N GLN A 56 -10.449 0.227 2.669 1.00 1.02 N ATOM 888 CA GLN A 56 -11.276 1.366 3.171 1.00 1.01 C ATOM 889 C GLN A 56 -11.075 2.625 2.309 1.00 0.93 C ATOM 890 O GLN A 56 -12.027 3.263 1.901 1.00 1.16 O ATOM 891 CB GLN A 56 -10.829 1.658 4.612 1.00 1.10 C ATOM 892 CG GLN A 56 -11.949 1.299 5.590 1.00 1.65 C ATOM 893 CD GLN A 56 -13.004 2.406 5.588 1.00 1.45 C ATOM 894 OE1 GLN A 56 -13.199 3.074 4.592 1.00 1.99 O ATOM 895 NE2 GLN A 56 -13.699 2.630 6.670 1.00 1.78 N ATOM 0 H GLN A 56 -9.940 -0.273 3.398 1.00 1.02 H new ATOM 0 HA GLN A 56 -12.332 1.100 3.126 1.00 1.01 H new ATOM 0 HB2 GLN A 56 -9.932 1.084 4.847 1.00 1.10 H new ATOM 0 HB3 GLN A 56 -10.569 2.712 4.715 1.00 1.10 H new ATOM 0 HG2 GLN A 56 -12.403 0.349 5.307 1.00 1.65 H new ATOM 0 HG3 GLN A 56 -11.543 1.171 6.593 1.00 1.65 H new ATOM 0 HE21 GLN A 56 -13.536 2.069 7.506 1.00 1.78 H new ATOM 0 HE22 GLN A 56 -14.406 3.366 6.679 1.00 1.78 H new ATOM 904 N MET A 57 -9.846 2.990 2.046 1.00 1.03 N ATOM 905 CA MET A 57 -9.580 4.211 1.228 1.00 1.05 C ATOM 906 C MET A 57 -10.161 4.036 -0.177 1.00 1.20 C ATOM 907 O MET A 57 -10.676 4.970 -0.762 1.00 1.47 O ATOM 908 CB MET A 57 -8.070 4.444 1.136 1.00 1.18 C ATOM 909 CG MET A 57 -7.645 5.455 2.207 1.00 1.31 C ATOM 910 SD MET A 57 -6.285 6.472 1.582 1.00 1.69 S ATOM 911 CE MET A 57 -4.976 5.244 1.802 1.00 1.23 C ATOM 0 H MET A 57 -9.014 2.493 2.364 1.00 1.03 H new ATOM 0 HA MET A 57 -10.053 5.071 1.703 1.00 1.05 H new ATOM 0 HB2 MET A 57 -7.537 3.504 1.276 1.00 1.18 H new ATOM 0 HB3 MET A 57 -7.808 4.815 0.145 1.00 1.18 H new ATOM 0 HG2 MET A 57 -8.490 6.088 2.479 1.00 1.31 H new ATOM 0 HG3 MET A 57 -7.335 4.932 3.112 1.00 1.31 H new ATOM 0 HE1 MET A 57 -4.125 5.502 1.171 1.00 1.23 H new ATOM 0 HE2 MET A 57 -4.663 5.229 2.846 1.00 1.23 H new ATOM 0 HE3 MET A 57 -5.350 4.259 1.521 1.00 1.23 H new ATOM 921 N LEU A 58 -10.077 2.850 -0.724 1.00 1.32 N ATOM 922 CA LEU A 58 -10.622 2.612 -2.096 1.00 1.57 C ATOM 923 C LEU A 58 -12.135 2.838 -2.109 1.00 1.76 C ATOM 924 O LEU A 58 -12.715 3.150 -3.132 1.00 2.30 O ATOM 925 CB LEU A 58 -10.321 1.175 -2.530 1.00 1.91 C ATOM 926 CG LEU A 58 -10.368 1.079 -4.062 1.00 2.00 C ATOM 927 CD1 LEU A 58 -8.944 1.068 -4.621 1.00 2.40 C ATOM 928 CD2 LEU A 58 -11.082 -0.210 -4.475 1.00 2.38 C ATOM 0 H LEU A 58 -9.654 2.035 -0.280 1.00 1.32 H new ATOM 0 HA LEU A 58 -10.149 3.310 -2.787 1.00 1.57 H new ATOM 0 HB2 LEU A 58 -9.339 0.873 -2.167 1.00 1.91 H new ATOM 0 HB3 LEU A 58 -11.048 0.492 -2.090 1.00 1.91 H new ATOM 0 HG LEU A 58 -10.909 1.939 -4.458 1.00 2.00 H new ATOM 0 HD11 LEU A 58 -8.980 1.000 -5.708 1.00 2.40 H new ATOM 0 HD12 LEU A 58 -8.433 1.986 -4.332 1.00 2.40 H new ATOM 0 HD13 LEU A 58 -8.403 0.210 -4.222 1.00 2.40 H new ATOM 0 HD21 LEU A 58 -11.114 -0.276 -5.563 1.00 2.38 H new ATOM 0 HD22 LEU A 58 -10.543 -1.069 -4.075 1.00 2.38 H new ATOM 0 HD23 LEU A 58 -12.099 -0.205 -4.082 1.00 2.38 H new ATOM 940 N GLU A 59 -12.773 2.682 -0.983 1.00 1.92 N ATOM 941 CA GLU A 59 -14.250 2.883 -0.916 1.00 2.44 C ATOM 942 C GLU A 59 -14.563 4.005 0.075 1.00 2.41 C ATOM 943 O GLU A 59 -15.585 3.994 0.735 1.00 2.93 O ATOM 944 CB GLU A 59 -14.923 1.586 -0.454 1.00 3.06 C ATOM 945 CG GLU A 59 -15.440 0.815 -1.672 1.00 3.61 C ATOM 946 CD GLU A 59 -16.741 0.096 -1.310 1.00 4.34 C ATOM 947 OE1 GLU A 59 -16.768 -0.552 -0.276 1.00 4.87 O ATOM 948 OE2 GLU A 59 -17.687 0.204 -2.072 1.00 4.75 O ATOM 0 H GLU A 59 -12.333 2.422 -0.100 1.00 1.92 H new ATOM 0 HA GLU A 59 -14.627 3.153 -1.902 1.00 2.44 H new ATOM 0 HB2 GLU A 59 -14.213 0.974 0.102 1.00 3.06 H new ATOM 0 HB3 GLU A 59 -15.747 1.813 0.222 1.00 3.06 H new ATOM 0 HG2 GLU A 59 -15.610 1.500 -2.503 1.00 3.61 H new ATOM 0 HG3 GLU A 59 -14.693 0.093 -2.002 1.00 3.61 H new ATOM 955 N LYS A 60 -13.690 4.972 0.178 1.00 2.18 N ATOM 956 CA LYS A 60 -13.924 6.104 1.120 1.00 2.59 C ATOM 957 C LYS A 60 -14.451 7.305 0.333 1.00 3.00 C ATOM 958 O LYS A 60 -13.708 7.980 -0.355 1.00 3.34 O ATOM 959 CB LYS A 60 -12.605 6.474 1.814 1.00 3.06 C ATOM 960 CG LYS A 60 -12.655 6.047 3.284 1.00 3.67 C ATOM 961 CD LYS A 60 -13.650 6.931 4.038 1.00 4.43 C ATOM 962 CE LYS A 60 -14.262 6.140 5.195 1.00 5.08 C ATOM 963 NZ LYS A 60 -14.777 7.086 6.226 1.00 5.91 N ATOM 0 H LYS A 60 -12.821 5.026 -0.353 1.00 2.18 H new ATOM 0 HA LYS A 60 -14.654 5.814 1.875 1.00 2.59 H new ATOM 0 HB2 LYS A 60 -11.770 5.986 1.312 1.00 3.06 H new ATOM 0 HB3 LYS A 60 -12.435 7.548 1.743 1.00 3.06 H new ATOM 0 HG2 LYS A 60 -12.951 5.001 3.360 1.00 3.67 H new ATOM 0 HG3 LYS A 60 -11.665 6.131 3.732 1.00 3.67 H new ATOM 0 HD2 LYS A 60 -13.147 7.820 4.418 1.00 4.43 H new ATOM 0 HD3 LYS A 60 -14.434 7.272 3.362 1.00 4.43 H new ATOM 0 HE2 LYS A 60 -15.071 5.508 4.830 1.00 5.08 H new ATOM 0 HE3 LYS A 60 -13.514 5.479 5.633 1.00 5.08 H new ATOM 0 HZ1 LYS A 60 -15.193 6.549 7.013 1.00 5.91 H new ATOM 0 HZ2 LYS A 60 -13.994 7.671 6.582 1.00 5.91 H new ATOM 0 HZ3 LYS A 60 -15.503 7.699 5.803 1.00 5.91 H new ATOM 977 N GLN A 61 -15.729 7.570 0.426 1.00 3.61 N ATOM 978 CA GLN A 61 -16.314 8.722 -0.318 1.00 4.50 C ATOM 979 C GLN A 61 -16.754 9.803 0.673 1.00 5.14 C ATOM 980 O GLN A 61 -17.394 9.520 1.669 1.00 5.67 O ATOM 981 CB GLN A 61 -17.522 8.239 -1.128 1.00 5.27 C ATOM 982 CG GLN A 61 -17.507 8.892 -2.513 1.00 5.91 C ATOM 983 CD GLN A 61 -18.942 9.163 -2.967 1.00 6.68 C ATOM 984 OE1 GLN A 61 -19.755 8.262 -3.025 1.00 7.06 O ATOM 985 NE2 GLN A 61 -19.289 10.377 -3.294 1.00 7.23 N ATOM 0 H GLN A 61 -16.393 7.036 0.987 1.00 3.61 H new ATOM 0 HA GLN A 61 -15.567 9.139 -0.993 1.00 4.50 H new ATOM 0 HB2 GLN A 61 -17.496 7.154 -1.226 1.00 5.27 H new ATOM 0 HB3 GLN A 61 -18.446 8.490 -0.607 1.00 5.27 H new ATOM 0 HG2 GLN A 61 -16.943 9.824 -2.481 1.00 5.91 H new ATOM 0 HG3 GLN A 61 -17.005 8.240 -3.228 1.00 5.91 H new ATOM 0 HE21 GLN A 61 -18.606 11.133 -3.245 1.00 7.23 H new ATOM 0 HE22 GLN A 61 -20.243 10.570 -3.598 1.00 7.23 H new ATOM 994 N LYS A 62 -16.417 11.038 0.401 1.00 5.52 N ATOM 995 CA LYS A 62 -16.812 12.147 1.318 1.00 6.49 C ATOM 996 C LYS A 62 -18.187 12.677 0.910 1.00 6.97 C ATOM 997 O LYS A 62 -19.134 12.434 1.639 1.00 7.33 O ATOM 998 CB LYS A 62 -15.784 13.275 1.224 1.00 7.06 C ATOM 999 CG LYS A 62 -15.721 14.021 2.559 1.00 7.85 C ATOM 1000 CD LYS A 62 -16.666 15.223 2.517 1.00 8.56 C ATOM 1001 CE LYS A 62 -16.985 15.672 3.945 1.00 9.11 C ATOM 1002 NZ LYS A 62 -18.221 14.988 4.419 1.00 9.74 N ATOM 1003 OXT LYS A 62 -18.271 13.316 -0.126 1.00 7.27 O ATOM 0 H LYS A 62 -15.884 11.326 -0.419 1.00 5.52 H new ATOM 0 HA LYS A 62 -16.853 11.776 2.342 1.00 6.49 H new ATOM 0 HB2 LYS A 62 -14.804 12.868 0.976 1.00 7.06 H new ATOM 0 HB3 LYS A 62 -16.055 13.963 0.423 1.00 7.06 H new ATOM 0 HG2 LYS A 62 -16.000 13.354 3.374 1.00 7.85 H new ATOM 0 HG3 LYS A 62 -14.701 14.353 2.754 1.00 7.85 H new ATOM 0 HD2 LYS A 62 -16.207 16.041 1.961 1.00 8.56 H new ATOM 0 HD3 LYS A 62 -17.585 14.958 1.994 1.00 8.56 H new ATOM 0 HE2 LYS A 62 -16.151 15.437 4.606 1.00 9.11 H new ATOM 0 HE3 LYS A 62 -17.121 16.753 3.975 1.00 9.11 H new ATOM 0 HZ1 LYS A 62 -18.437 15.294 5.389 1.00 9.74 H new ATOM 0 HZ2 LYS A 62 -19.015 15.234 3.794 1.00 9.74 H new ATOM 0 HZ3 LYS A 62 -18.075 13.958 4.405 1.00 9.74 H new TER 1017 LYS A 62 END