USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 0 (180deg=-0.718) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.6!) USER MOD Single : A 39 MET CE :methyl 153:sc= -0.207 (180deg=-1.57) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.09! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -140:sc= -0.146 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -5.5! C(o=-5.5!,f=-2.3!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.158 USER MOD Single : A 71 THR OG1 : rot -79:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -4.11! C(o=-4.1!,f=-4.7!) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00743 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.970 0.578 -11.283 1.00 0.00 N ATOM 2 CA MET A 1 70.683 -0.008 -10.812 1.00 0.00 C ATOM 3 C MET A 1 70.906 -1.474 -10.454 1.00 0.00 C ATOM 4 O MET A 1 71.005 -2.329 -11.334 1.00 0.00 O ATOM 5 CB MET A 1 69.632 0.106 -11.918 1.00 0.00 C ATOM 6 CG MET A 1 68.297 -0.436 -11.403 1.00 0.00 C ATOM 7 SD MET A 1 67.014 -0.195 -12.658 1.00 0.00 S ATOM 8 CE MET A 1 65.628 0.045 -11.519 1.00 0.00 C ATOM 0 H1 MET A 1 71.981 1.598 -11.081 1.00 0.00 H new ATOM 0 H2 MET A 1 72.762 0.119 -10.789 1.00 0.00 H new ATOM 0 H3 MET A 1 72.066 0.427 -12.307 1.00 0.00 H new ATOM 0 HA MET A 1 70.330 0.531 -9.933 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.522 1.146 -12.225 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.950 -0.454 -12.797 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.391 -1.495 -11.165 1.00 0.00 H new ATOM 0 HG3 MET A 1 68.018 0.074 -10.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 64.714 0.214 -12.089 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.510 -0.843 -10.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 65.825 0.909 -10.884 1.00 0.00 H new ATOM 20 N TYR A 2 70.987 -1.756 -9.154 1.00 0.00 N ATOM 21 CA TYR A 2 71.205 -3.121 -8.673 1.00 0.00 C ATOM 22 C TYR A 2 69.944 -3.623 -7.981 1.00 0.00 C ATOM 23 O TYR A 2 69.260 -2.859 -7.298 1.00 0.00 O ATOM 24 CB TYR A 2 72.397 -3.139 -7.695 1.00 0.00 C ATOM 25 CG TYR A 2 73.111 -4.483 -7.747 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.650 -5.565 -6.977 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.232 -4.652 -8.579 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.306 -6.800 -7.036 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.882 -5.889 -8.637 1.00 0.00 C ATOM 30 CZ TYR A 2 74.422 -6.962 -7.865 1.00 0.00 C ATOM 31 OH TYR A 2 75.069 -8.179 -7.929 1.00 0.00 O ATOM 0 H TYR A 2 70.905 -1.058 -8.415 1.00 0.00 H new ATOM 0 HA TYR A 2 71.431 -3.776 -9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.094 -2.340 -7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.046 -2.946 -6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.788 -5.443 -6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.591 -3.825 -9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.951 -7.629 -6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.741 -6.017 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 2 75.822 -8.117 -8.553 1.00 0.00 H new ATOM 41 N GLU A 3 69.637 -4.903 -8.166 1.00 0.00 N ATOM 42 CA GLU A 3 68.446 -5.504 -7.556 1.00 0.00 C ATOM 43 C GLU A 3 68.860 -6.637 -6.629 1.00 0.00 C ATOM 44 O GLU A 3 69.646 -7.504 -7.010 1.00 0.00 O ATOM 45 CB GLU A 3 67.511 -6.051 -8.640 1.00 0.00 C ATOM 46 CG GLU A 3 66.908 -4.897 -9.456 1.00 0.00 C ATOM 47 CD GLU A 3 65.990 -5.464 -10.533 1.00 0.00 C ATOM 48 OE1 GLU A 3 65.853 -6.675 -10.585 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.444 -4.682 -11.293 1.00 0.00 O ATOM 0 H GLU A 3 70.192 -5.546 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 3 67.921 -4.737 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.061 -6.723 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.714 -6.636 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.349 -4.228 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.702 -4.307 -9.913 1.00 0.00 H new ATOM 56 N PHE A 4 68.332 -6.630 -5.406 1.00 0.00 N ATOM 57 CA PHE A 4 68.664 -7.672 -4.428 1.00 0.00 C ATOM 58 C PHE A 4 67.602 -8.764 -4.445 1.00 0.00 C ATOM 59 O PHE A 4 66.429 -8.514 -4.165 1.00 0.00 O ATOM 60 CB PHE A 4 68.795 -7.051 -3.017 1.00 0.00 C ATOM 61 CG PHE A 4 68.709 -8.115 -1.930 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.725 -9.074 -1.791 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.597 -8.145 -1.065 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.630 -10.053 -0.795 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.507 -9.129 -0.077 1.00 0.00 C ATOM 66 CZ PHE A 4 68.523 -10.082 0.059 1.00 0.00 C ATOM 0 H PHE A 4 67.679 -5.923 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 4 69.620 -8.122 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.745 -6.523 -2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 4 68.007 -6.313 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.579 -9.056 -2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.814 -7.408 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 4 70.414 -10.788 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.652 -9.154 0.583 1.00 0.00 H new ATOM 0 HZ PHE A 4 68.452 -10.841 0.824 1.00 0.00 H new ATOM 76 N LYS A 5 68.034 -9.979 -4.778 1.00 0.00 N ATOM 77 CA LYS A 5 67.134 -11.128 -4.838 1.00 0.00 C ATOM 78 C LYS A 5 67.627 -12.221 -3.902 1.00 0.00 C ATOM 79 O LYS A 5 68.825 -12.494 -3.823 1.00 0.00 O ATOM 80 CB LYS A 5 67.077 -11.672 -6.268 1.00 0.00 C ATOM 81 CG LYS A 5 66.474 -10.613 -7.191 1.00 0.00 C ATOM 82 CD LYS A 5 66.423 -11.147 -8.623 1.00 0.00 C ATOM 83 CE LYS A 5 65.846 -10.073 -9.548 1.00 0.00 C ATOM 84 NZ LYS A 5 65.871 -10.569 -10.954 1.00 0.00 N ATOM 0 H LYS A 5 69.004 -10.193 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 5 66.137 -10.811 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.078 -11.939 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.477 -12.581 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.471 -10.352 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.071 -9.702 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.423 -11.428 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.809 -12.047 -8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.825 -9.833 -9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.426 -9.154 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.479 -9.842 -11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.851 -10.777 -11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.299 -11.435 -11.027 1.00 0.00 H new ATOM 98 N LEU A 6 66.692 -12.846 -3.204 1.00 0.00 N ATOM 99 CA LEU A 6 67.037 -13.918 -2.273 1.00 0.00 C ATOM 100 C LEU A 6 67.640 -15.099 -3.060 1.00 0.00 C ATOM 101 O LEU A 6 66.949 -15.698 -3.884 1.00 0.00 O ATOM 102 CB LEU A 6 65.775 -14.370 -1.505 1.00 0.00 C ATOM 103 CG LEU A 6 66.109 -15.473 -0.477 1.00 0.00 C ATOM 104 CD1 LEU A 6 66.681 -14.852 0.802 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.827 -16.240 -0.129 1.00 0.00 C ATOM 0 H LEU A 6 65.696 -12.635 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 6 67.771 -13.558 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.332 -13.515 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.031 -14.740 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 6 66.848 -16.148 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 6 66.912 -15.641 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.591 -14.301 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 6 65.948 -14.172 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.056 -17.021 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 6 64.096 -15.552 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.417 -16.693 -1.032 1.00 0.00 H new ATOM 117 N PRO A 7 68.902 -15.440 -2.856 1.00 0.00 N ATOM 118 CA PRO A 7 69.550 -16.561 -3.604 1.00 0.00 C ATOM 119 C PRO A 7 69.098 -17.932 -3.105 1.00 0.00 C ATOM 120 O PRO A 7 68.608 -18.065 -1.983 1.00 0.00 O ATOM 121 CB PRO A 7 71.047 -16.328 -3.365 1.00 0.00 C ATOM 122 CG PRO A 7 71.116 -15.683 -2.021 1.00 0.00 C ATOM 123 CD PRO A 7 69.852 -14.822 -1.899 1.00 0.00 C ATOM 0 HA PRO A 7 69.285 -16.565 -4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.602 -17.266 -3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.477 -15.687 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.155 -16.432 -1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 7 72.014 -15.073 -1.927 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.458 -14.833 -0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 7 70.052 -13.781 -2.152 1.00 0.00 H new ATOM 221 N GLU A 15 58.797 -21.520 -0.562 1.00 0.00 N ATOM 222 CA GLU A 15 58.157 -20.228 -0.802 1.00 0.00 C ATOM 223 C GLU A 15 58.964 -19.114 -0.134 1.00 0.00 C ATOM 224 O GLU A 15 59.738 -19.375 0.788 1.00 0.00 O ATOM 225 CB GLU A 15 56.706 -20.233 -0.285 1.00 0.00 C ATOM 226 CG GLU A 15 56.659 -20.153 1.252 1.00 0.00 C ATOM 227 CD GLU A 15 55.218 -20.262 1.738 1.00 0.00 C ATOM 228 OE1 GLU A 15 54.327 -20.238 0.906 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.030 -20.375 2.938 1.00 0.00 O ATOM 0 HA GLU A 15 58.130 -20.046 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.163 -19.390 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.202 -21.140 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.258 -20.954 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.094 -19.212 1.589 1.00 0.00 H new ATOM 236 N GLY A 16 58.780 -17.873 -0.592 1.00 0.00 N ATOM 237 CA GLY A 16 59.495 -16.731 -0.021 1.00 0.00 C ATOM 238 C GLY A 16 58.566 -15.919 0.874 1.00 0.00 C ATOM 239 O GLY A 16 57.556 -15.394 0.405 1.00 0.00 O ATOM 0 H GLY A 16 58.144 -17.635 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.352 -17.081 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 16 59.884 -16.100 -0.820 1.00 0.00 H new ATOM 243 N GLU A 17 58.901 -15.804 2.163 1.00 0.00 N ATOM 244 CA GLU A 17 58.070 -15.041 3.096 1.00 0.00 C ATOM 245 C GLU A 17 58.934 -14.133 3.959 1.00 0.00 C ATOM 246 O GLU A 17 60.009 -14.521 4.415 1.00 0.00 O ATOM 247 CB GLU A 17 57.270 -15.994 3.988 1.00 0.00 C ATOM 248 CG GLU A 17 56.354 -15.188 4.912 1.00 0.00 C ATOM 249 CD GLU A 17 55.473 -16.134 5.720 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.411 -17.301 5.366 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.866 -15.679 6.675 1.00 0.00 O ATOM 0 H GLU A 17 59.732 -16.224 2.579 1.00 0.00 H new ATOM 0 HA GLU A 17 57.380 -14.425 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.678 -16.672 3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 57.948 -16.610 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.951 -14.571 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.733 -14.512 4.324 1.00 0.00 H new ATOM 258 N ILE A 18 58.455 -12.909 4.161 1.00 0.00 N ATOM 259 CA ILE A 18 59.178 -11.915 4.959 1.00 0.00 C ATOM 260 C ILE A 18 58.550 -11.772 6.343 1.00 0.00 C ATOM 261 O ILE A 18 57.368 -11.453 6.460 1.00 0.00 O ATOM 262 CB ILE A 18 59.133 -10.557 4.241 1.00 0.00 C ATOM 263 CG1 ILE A 18 59.437 -10.716 2.734 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.156 -9.607 4.867 1.00 0.00 C ATOM 265 CD1 ILE A 18 60.932 -10.978 2.505 1.00 0.00 C ATOM 0 H ILE A 18 57.567 -12.578 3.783 1.00 0.00 H new ATOM 0 HA ILE A 18 60.210 -12.245 5.075 1.00 0.00 H new ATOM 0 HB ILE A 18 58.129 -10.147 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 18 58.852 -11.540 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.135 -9.815 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.121 -8.645 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.923 -9.465 5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.155 -10.033 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 18 61.123 -11.087 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.512 -10.141 2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.224 -11.893 3.021 1.00 0.00 H new ATOM 277 N VAL A 19 59.344 -12.010 7.395 1.00 0.00 N ATOM 278 CA VAL A 19 58.834 -11.898 8.769 1.00 0.00 C ATOM 279 C VAL A 19 59.273 -10.599 9.452 1.00 0.00 C ATOM 280 O VAL A 19 58.490 -9.994 10.184 1.00 0.00 O ATOM 281 CB VAL A 19 59.308 -13.081 9.613 1.00 0.00 C ATOM 282 CG1 VAL A 19 58.678 -14.367 9.083 1.00 0.00 C ATOM 283 CG2 VAL A 19 60.833 -13.186 9.540 1.00 0.00 C ATOM 0 H VAL A 19 60.326 -12.277 7.325 1.00 0.00 H new ATOM 0 HA VAL A 19 57.746 -11.896 8.696 1.00 0.00 H new ATOM 0 HB VAL A 19 59.008 -12.931 10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 19 59.015 -15.212 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 19 57.592 -14.291 9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 19 58.976 -14.518 8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 19 61.169 -14.030 10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.138 -13.335 8.504 1.00 0.00 H new ATOM 0 HG23 VAL A 19 61.280 -12.268 9.921 1.00 0.00 H new ATOM 293 N ARG A 20 60.533 -10.180 9.253 1.00 0.00 N ATOM 294 CA ARG A 20 61.029 -8.963 9.918 1.00 0.00 C ATOM 295 C ARG A 20 61.891 -8.085 9.002 1.00 0.00 C ATOM 296 O ARG A 20 62.628 -8.578 8.148 1.00 0.00 O ATOM 297 CB ARG A 20 61.859 -9.362 11.141 1.00 0.00 C ATOM 298 CG ARG A 20 60.950 -9.993 12.201 1.00 0.00 C ATOM 299 CD ARG A 20 61.795 -10.412 13.406 1.00 0.00 C ATOM 300 NE ARG A 20 60.949 -11.017 14.430 1.00 0.00 N ATOM 301 CZ ARG A 20 60.308 -10.265 15.322 1.00 0.00 C ATOM 302 NH1 ARG A 20 60.425 -8.966 15.280 1.00 0.00 N ATOM 303 NH2 ARG A 20 59.556 -10.824 16.230 1.00 0.00 N ATOM 0 H ARG A 20 61.211 -10.650 8.654 1.00 0.00 H new ATOM 0 HA ARG A 20 60.155 -8.377 10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.637 -10.067 10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.360 -8.486 11.553 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.183 -9.282 12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.434 -10.858 11.786 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.562 -11.120 13.093 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.311 -9.544 13.817 1.00 0.00 H new ATOM 0 HE ARG A 20 60.847 -12.031 14.463 1.00 0.00 H new ATOM 0 HH11 ARG A 20 61.007 -8.529 14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 20 59.935 -8.387 15.962 1.00 0.00 H new ATOM 0 HH21 ARG A 20 59.458 -11.839 16.257 1.00 0.00 H new ATOM 0 HH22 ARG A 20 59.066 -10.246 16.913 1.00 0.00 H new ATOM 317 N TRP A 21 61.810 -6.772 9.243 1.00 0.00 N ATOM 318 CA TRP A 21 62.593 -5.768 8.509 1.00 0.00 C ATOM 319 C TRP A 21 63.304 -4.882 9.540 1.00 0.00 C ATOM 320 O TRP A 21 62.724 -4.560 10.576 1.00 0.00 O ATOM 321 CB TRP A 21 61.681 -4.871 7.644 1.00 0.00 C ATOM 322 CG TRP A 21 61.314 -5.518 6.340 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.056 -5.883 5.999 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.159 -5.846 5.187 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.071 -6.411 4.724 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.340 -6.417 4.184 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.536 -5.716 4.911 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.861 -6.839 2.960 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.062 -6.138 3.673 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.223 -6.696 2.702 1.00 0.00 C ATOM 0 H TRP A 21 61.198 -6.373 9.955 1.00 0.00 H new ATOM 0 HA TRP A 21 63.300 -6.277 7.854 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.773 -4.638 8.199 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.186 -3.925 7.448 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.181 -5.778 6.624 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.243 -6.756 4.239 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.193 -5.290 5.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.211 -7.275 2.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.118 -6.030 3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.630 -7.015 1.754 1.00 0.00 H new ATOM 341 N ASP A 22 64.551 -4.486 9.262 1.00 0.00 N ATOM 342 CA ASP A 22 65.303 -3.630 10.199 1.00 0.00 C ATOM 343 C ASP A 22 65.810 -2.371 9.505 1.00 0.00 C ATOM 344 O ASP A 22 66.762 -1.740 9.962 1.00 0.00 O ATOM 345 CB ASP A 22 66.481 -4.402 10.795 1.00 0.00 C ATOM 346 CG ASP A 22 67.206 -3.537 11.820 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.666 -2.507 12.186 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.290 -3.919 12.228 1.00 0.00 O ATOM 0 H ASP A 22 65.058 -4.737 8.413 1.00 0.00 H new ATOM 0 HA ASP A 22 64.625 -3.334 11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.125 -5.318 11.267 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.170 -4.698 10.004 1.00 0.00 H new ATOM 353 N VAL A 23 65.160 -1.997 8.406 1.00 0.00 N ATOM 354 CA VAL A 23 65.543 -0.795 7.663 1.00 0.00 C ATOM 355 C VAL A 23 64.288 0.000 7.302 1.00 0.00 C ATOM 356 O VAL A 23 63.195 -0.561 7.230 1.00 0.00 O ATOM 357 CB VAL A 23 66.327 -1.188 6.398 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.318 -2.306 6.747 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.366 -1.670 5.291 1.00 0.00 C ATOM 0 H VAL A 23 64.369 -2.505 8.010 1.00 0.00 H new ATOM 0 HA VAL A 23 66.187 -0.170 8.282 1.00 0.00 H new ATOM 0 HB VAL A 23 66.867 -0.316 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.876 -2.589 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.010 -1.953 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.772 -3.171 7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.939 -1.943 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.809 -2.538 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.670 -0.870 5.040 1.00 0.00 H new ATOM 369 N LYS A 24 64.449 1.305 7.080 1.00 0.00 N ATOM 370 CA LYS A 24 63.316 2.167 6.732 1.00 0.00 C ATOM 371 C LYS A 24 63.568 2.828 5.383 1.00 0.00 C ATOM 372 O LYS A 24 64.666 3.316 5.116 1.00 0.00 O ATOM 373 CB LYS A 24 63.148 3.255 7.798 1.00 0.00 C ATOM 374 CG LYS A 24 63.085 2.644 9.210 1.00 0.00 C ATOM 375 CD LYS A 24 61.802 1.826 9.398 1.00 0.00 C ATOM 376 CE LYS A 24 61.733 1.314 10.840 1.00 0.00 C ATOM 377 NZ LYS A 24 60.454 0.574 11.038 1.00 0.00 N ATOM 0 H LYS A 24 65.346 1.787 7.134 1.00 0.00 H new ATOM 0 HA LYS A 24 62.412 1.561 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.980 3.957 7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 24 62.238 3.822 7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 24 63.954 2.007 9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 24 63.127 3.438 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 24 60.930 2.441 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 24 61.786 0.988 8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 24 62.581 0.661 11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.796 2.149 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.403 0.224 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 59.652 1.211 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 60.413 -0.231 10.380 1.00 0.00 H new ATOM 391 N GLU A 25 62.549 2.837 4.533 1.00 0.00 N ATOM 392 CA GLU A 25 62.682 3.439 3.213 1.00 0.00 C ATOM 393 C GLU A 25 63.068 4.911 3.320 1.00 0.00 C ATOM 394 O GLU A 25 62.541 5.643 4.160 1.00 0.00 O ATOM 395 CB GLU A 25 61.373 3.298 2.436 1.00 0.00 C ATOM 396 CG GLU A 25 60.223 3.922 3.227 1.00 0.00 C ATOM 397 CD GLU A 25 58.916 3.742 2.462 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.975 3.303 1.326 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.876 4.048 3.021 1.00 0.00 O ATOM 0 H GLU A 25 61.631 2.439 4.731 1.00 0.00 H new ATOM 0 HA GLU A 25 63.475 2.915 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.463 3.785 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.165 2.245 2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 25 60.148 3.454 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.416 4.982 3.393 1.00 0.00 H new ATOM 406 N GLY A 26 63.988 5.340 2.458 1.00 0.00 N ATOM 407 CA GLY A 26 64.442 6.731 2.454 1.00 0.00 C ATOM 408 C GLY A 26 65.599 6.950 3.425 1.00 0.00 C ATOM 409 O GLY A 26 66.028 8.083 3.639 1.00 0.00 O ATOM 0 H GLY A 26 64.432 4.748 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.754 7.009 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.613 7.385 2.723 1.00 0.00 H new ATOM 413 N ASP A 27 66.106 5.861 4.006 1.00 0.00 N ATOM 414 CA ASP A 27 67.225 5.942 4.953 1.00 0.00 C ATOM 415 C ASP A 27 68.458 5.242 4.382 1.00 0.00 C ATOM 416 O ASP A 27 68.344 4.375 3.515 1.00 0.00 O ATOM 417 CB ASP A 27 66.833 5.291 6.280 1.00 0.00 C ATOM 418 CG ASP A 27 67.917 5.538 7.324 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.666 6.486 7.158 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.979 4.777 8.276 1.00 0.00 O ATOM 0 H ASP A 27 65.763 4.915 3.840 1.00 0.00 H new ATOM 0 HA ASP A 27 67.462 6.992 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.883 5.698 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.689 4.220 6.140 1.00 0.00 H new ATOM 425 N MET A 28 69.634 5.631 4.866 1.00 0.00 N ATOM 426 CA MET A 28 70.885 5.038 4.390 1.00 0.00 C ATOM 427 C MET A 28 71.137 3.692 5.067 1.00 0.00 C ATOM 428 O MET A 28 70.739 3.477 6.212 1.00 0.00 O ATOM 429 CB MET A 28 72.060 5.983 4.667 1.00 0.00 C ATOM 430 CG MET A 28 71.893 7.260 3.843 1.00 0.00 C ATOM 431 SD MET A 28 73.294 8.365 4.147 1.00 0.00 S ATOM 432 CE MET A 28 72.633 9.804 3.273 1.00 0.00 C ATOM 0 H MET A 28 69.750 6.348 5.582 1.00 0.00 H new ATOM 0 HA MET A 28 70.798 4.879 3.315 1.00 0.00 H new ATOM 0 HB2 MET A 28 72.103 6.226 5.729 1.00 0.00 H new ATOM 0 HB3 MET A 28 73.001 5.494 4.414 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.833 7.015 2.782 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.960 7.757 4.109 1.00 0.00 H new ATOM 0 HE1 MET A 28 73.347 10.625 3.332 1.00 0.00 H new ATOM 0 HE2 MET A 28 72.461 9.547 2.228 1.00 0.00 H new ATOM 0 HE3 MET A 28 71.692 10.108 3.732 1.00 0.00 H new ATOM 442 N VAL A 29 71.786 2.781 4.337 1.00 0.00 N ATOM 443 CA VAL A 29 72.078 1.436 4.847 1.00 0.00 C ATOM 444 C VAL A 29 73.583 1.176 4.836 1.00 0.00 C ATOM 445 O VAL A 29 74.265 1.479 3.857 1.00 0.00 O ATOM 446 CB VAL A 29 71.381 0.400 3.961 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.827 -1.013 4.348 1.00 0.00 C ATOM 448 CG2 VAL A 29 69.867 0.525 4.126 1.00 0.00 C ATOM 0 H VAL A 29 72.121 2.950 3.388 1.00 0.00 H new ATOM 0 HA VAL A 29 71.714 1.360 5.872 1.00 0.00 H new ATOM 0 HB VAL A 29 71.652 0.582 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.324 -1.741 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 29 72.906 -1.102 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.569 -1.204 5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.370 -0.212 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.599 0.351 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.550 1.526 3.832 1.00 0.00 H new ATOM 458 N GLU A 30 74.096 0.604 5.928 1.00 0.00 N ATOM 459 CA GLU A 30 75.525 0.290 6.031 1.00 0.00 C ATOM 460 C GLU A 30 75.753 -1.220 5.978 1.00 0.00 C ATOM 461 O GLU A 30 75.012 -1.992 6.587 1.00 0.00 O ATOM 462 CB GLU A 30 76.087 0.849 7.340 1.00 0.00 C ATOM 463 CG GLU A 30 76.105 2.377 7.276 1.00 0.00 C ATOM 464 CD GLU A 30 76.606 2.945 8.598 1.00 0.00 C ATOM 465 OE1 GLU A 30 76.925 2.158 9.474 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.668 4.159 8.716 1.00 0.00 O ATOM 0 H GLU A 30 73.548 0.350 6.750 1.00 0.00 H new ATOM 0 HA GLU A 30 76.040 0.750 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 30 75.478 0.517 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.095 0.469 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.748 2.708 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.104 2.753 7.065 1.00 0.00 H new ATOM 473 N LYS A 31 76.774 -1.633 5.235 1.00 0.00 N ATOM 474 CA LYS A 31 77.085 -3.054 5.092 1.00 0.00 C ATOM 475 C LYS A 31 77.587 -3.634 6.417 1.00 0.00 C ATOM 476 O LYS A 31 78.381 -3.005 7.113 1.00 0.00 O ATOM 477 CB LYS A 31 78.150 -3.244 4.002 1.00 0.00 C ATOM 478 CG LYS A 31 78.351 -4.739 3.727 1.00 0.00 C ATOM 479 CD LYS A 31 79.403 -4.946 2.627 1.00 0.00 C ATOM 480 CE LYS A 31 78.796 -4.666 1.244 1.00 0.00 C ATOM 481 NZ LYS A 31 79.735 -5.140 0.189 1.00 0.00 N ATOM 0 H LYS A 31 77.399 -1.009 4.724 1.00 0.00 H new ATOM 0 HA LYS A 31 76.175 -3.582 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.843 -2.735 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.091 -2.793 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 31 78.667 -5.244 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 31 77.406 -5.190 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.252 -4.285 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 31 79.781 -5.968 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 31 77.836 -5.172 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 31 78.607 -3.599 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 79.327 -4.952 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 80.641 -4.638 0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 79.893 -6.162 0.299 1.00 0.00 H new ATOM 495 N ASP A 32 77.115 -4.839 6.754 1.00 0.00 N ATOM 496 CA ASP A 32 77.522 -5.506 7.994 1.00 0.00 C ATOM 497 C ASP A 32 76.675 -5.046 9.186 1.00 0.00 C ATOM 498 O ASP A 32 76.732 -5.650 10.257 1.00 0.00 O ATOM 499 CB ASP A 32 79.019 -5.244 8.286 1.00 0.00 C ATOM 500 CG ASP A 32 79.627 -6.417 9.057 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.910 -7.023 9.835 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.797 -6.693 8.850 1.00 0.00 O ATOM 0 H ASP A 32 76.453 -5.370 6.188 1.00 0.00 H new ATOM 0 HA ASP A 32 77.363 -6.575 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.558 -5.098 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.128 -4.326 8.863 1.00 0.00 H new ATOM 507 N GLN A 33 75.894 -3.975 9.001 1.00 0.00 N ATOM 508 CA GLN A 33 75.046 -3.449 10.077 1.00 0.00 C ATOM 509 C GLN A 33 73.574 -3.507 9.674 1.00 0.00 C ATOM 510 O GLN A 33 73.011 -2.516 9.210 1.00 0.00 O ATOM 511 CB GLN A 33 75.427 -1.994 10.369 1.00 0.00 C ATOM 512 CG GLN A 33 74.571 -1.462 11.522 1.00 0.00 C ATOM 513 CD GLN A 33 75.064 -0.084 11.945 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.199 0.290 11.650 1.00 0.00 O ATOM 515 NE2 GLN A 33 74.270 0.700 12.622 1.00 0.00 N ATOM 0 H GLN A 33 75.832 -3.459 8.123 1.00 0.00 H new ATOM 0 HA GLN A 33 75.198 -4.060 10.967 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.484 -1.929 10.627 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.278 -1.382 9.479 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.527 -1.405 11.214 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.617 -2.149 12.367 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.330 0.387 12.865 1.00 0.00 H new ATOM 0 HE22 GLN A 33 74.589 1.625 12.908 1.00 0.00 H new ATOM 524 N ASP A 34 72.953 -4.671 9.850 1.00 0.00 N ATOM 525 CA ASP A 34 71.548 -4.830 9.496 1.00 0.00 C ATOM 526 C ASP A 34 71.015 -6.156 10.020 1.00 0.00 C ATOM 527 O ASP A 34 71.691 -7.182 9.944 1.00 0.00 O ATOM 528 CB ASP A 34 71.384 -4.774 7.978 1.00 0.00 C ATOM 529 CG ASP A 34 69.904 -4.838 7.608 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.095 -5.013 8.506 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.599 -4.711 6.435 1.00 0.00 O ATOM 0 H ASP A 34 73.395 -5.507 10.231 1.00 0.00 H new ATOM 0 HA ASP A 34 70.981 -4.018 9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.824 -3.855 7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.919 -5.604 7.516 1.00 0.00 H new ATOM 536 N LEU A 35 69.789 -6.131 10.539 1.00 0.00 N ATOM 537 CA LEU A 35 69.152 -7.345 11.069 1.00 0.00 C ATOM 538 C LEU A 35 67.961 -7.724 10.205 1.00 0.00 C ATOM 539 O LEU A 35 66.833 -7.313 10.459 1.00 0.00 O ATOM 540 CB LEU A 35 68.693 -7.124 12.516 1.00 0.00 C ATOM 541 CG LEU A 35 69.912 -6.837 13.403 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.432 -6.314 14.763 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.744 -8.118 13.617 1.00 0.00 C ATOM 0 H LEU A 35 69.215 -5.290 10.606 1.00 0.00 H new ATOM 0 HA LEU A 35 69.882 -8.154 11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 35 67.992 -6.291 12.563 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.165 -8.006 12.880 1.00 0.00 H new ATOM 0 HG LEU A 35 70.537 -6.092 12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.293 -6.108 15.398 1.00 0.00 H new ATOM 0 HD12 LEU A 35 68.860 -5.397 14.619 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.801 -7.064 15.239 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.603 -7.892 14.248 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.127 -8.876 14.100 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.090 -8.492 12.654 1.00 0.00 H new ATOM 555 N VAL A 36 68.227 -8.527 9.183 1.00 0.00 N ATOM 556 CA VAL A 36 67.183 -8.983 8.263 1.00 0.00 C ATOM 557 C VAL A 36 67.065 -10.502 8.342 1.00 0.00 C ATOM 558 O VAL A 36 68.062 -11.222 8.263 1.00 0.00 O ATOM 559 CB VAL A 36 67.514 -8.520 6.818 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.031 -8.375 6.667 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.012 -9.551 5.792 1.00 0.00 C ATOM 0 H VAL A 36 69.159 -8.879 8.966 1.00 0.00 H new ATOM 0 HA VAL A 36 66.225 -8.547 8.546 1.00 0.00 H new ATOM 0 HB VAL A 36 67.021 -7.565 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.266 -8.050 5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.399 -7.636 7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.509 -9.335 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.253 -9.209 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.495 -10.511 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.932 -9.664 5.888 1.00 0.00 H new ATOM 571 N GLU A 37 65.831 -10.974 8.493 1.00 0.00 N ATOM 572 CA GLU A 37 65.563 -12.407 8.577 1.00 0.00 C ATOM 573 C GLU A 37 64.611 -12.820 7.464 1.00 0.00 C ATOM 574 O GLU A 37 63.529 -12.250 7.320 1.00 0.00 O ATOM 575 CB GLU A 37 64.920 -12.742 9.925 1.00 0.00 C ATOM 576 CG GLU A 37 65.937 -12.546 11.049 1.00 0.00 C ATOM 577 CD GLU A 37 65.269 -12.777 12.401 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.109 -13.152 12.410 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.931 -12.584 13.407 1.00 0.00 O ATOM 0 H GLU A 37 65.001 -10.386 8.560 1.00 0.00 H new ATOM 0 HA GLU A 37 66.506 -12.944 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.052 -12.104 10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.563 -13.772 9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.770 -13.238 10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.350 -11.538 11.005 1.00 0.00 H new ATOM 586 N VAL A 38 65.010 -13.821 6.686 1.00 0.00 N ATOM 587 CA VAL A 38 64.182 -14.316 5.592 1.00 0.00 C ATOM 588 C VAL A 38 64.002 -15.824 5.725 1.00 0.00 C ATOM 589 O VAL A 38 64.873 -16.517 6.264 1.00 0.00 O ATOM 590 CB VAL A 38 64.849 -13.989 4.257 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.962 -12.471 4.099 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.244 -14.606 4.211 1.00 0.00 C ATOM 0 H VAL A 38 65.901 -14.305 6.793 1.00 0.00 H new ATOM 0 HA VAL A 38 63.205 -13.835 5.632 1.00 0.00 H new ATOM 0 HB VAL A 38 64.246 -14.398 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.438 -12.239 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.967 -12.027 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.562 -12.064 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.715 -14.370 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.848 -14.202 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.167 -15.688 4.320 1.00 0.00 H new ATOM 602 N MET A 39 62.859 -16.322 5.251 1.00 0.00 N ATOM 603 CA MET A 39 62.547 -17.755 5.325 1.00 0.00 C ATOM 604 C MET A 39 62.376 -18.350 3.935 1.00 0.00 C ATOM 605 O MET A 39 61.718 -17.764 3.074 1.00 0.00 O ATOM 606 CB MET A 39 61.265 -17.957 6.129 1.00 0.00 C ATOM 607 CG MET A 39 60.958 -19.449 6.260 1.00 0.00 C ATOM 608 SD MET A 39 59.553 -19.675 7.380 1.00 0.00 S ATOM 609 CE MET A 39 58.308 -18.854 6.354 1.00 0.00 C ATOM 0 H MET A 39 62.133 -15.757 4.811 1.00 0.00 H new ATOM 0 HA MET A 39 63.377 -18.263 5.816 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.372 -17.511 7.118 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.435 -17.448 5.639 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.730 -19.872 5.282 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.831 -19.979 6.641 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.323 -19.264 6.579 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.312 -17.784 6.563 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.538 -19.019 5.301 1.00 0.00 H new ATOM 619 N THR A 40 62.985 -19.517 3.723 1.00 0.00 N ATOM 620 CA THR A 40 62.913 -20.201 2.427 1.00 0.00 C ATOM 621 C THR A 40 62.079 -21.477 2.541 1.00 0.00 C ATOM 622 O THR A 40 61.078 -21.643 1.846 1.00 0.00 O ATOM 623 CB THR A 40 64.337 -20.559 1.938 1.00 0.00 C ATOM 624 OG1 THR A 40 64.575 -21.947 2.132 1.00 0.00 O ATOM 625 CG2 THR A 40 65.383 -19.768 2.729 1.00 0.00 C ATOM 0 H THR A 40 63.533 -20.009 4.429 1.00 0.00 H new ATOM 0 HA THR A 40 62.440 -19.531 1.710 1.00 0.00 H new ATOM 0 HB THR A 40 64.413 -20.309 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 40 65.477 -22.171 1.820 1.00 0.00 H new ATOM 0 HG21 THR A 40 66.380 -20.029 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.216 -18.700 2.587 1.00 0.00 H new ATOM 0 HG23 THR A 40 65.298 -20.011 3.788 1.00 0.00 H new ATOM 633 N ASP A 41 62.516 -22.377 3.419 1.00 0.00 N ATOM 634 CA ASP A 41 61.827 -23.660 3.632 1.00 0.00 C ATOM 635 C ASP A 41 61.623 -23.905 5.130 1.00 0.00 C ATOM 636 O ASP A 41 62.170 -24.863 5.680 1.00 0.00 O ATOM 637 CB ASP A 41 62.684 -24.787 3.052 1.00 0.00 C ATOM 638 CG ASP A 41 64.040 -24.817 3.749 1.00 0.00 C ATOM 639 OD1 ASP A 41 64.290 -23.932 4.551 1.00 0.00 O ATOM 640 OD2 ASP A 41 64.807 -25.726 3.474 1.00 0.00 O ATOM 0 H ASP A 41 63.345 -22.247 3.998 1.00 0.00 H new ATOM 0 HA ASP A 41 60.855 -23.633 3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 41 62.178 -25.744 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 41 62.819 -24.639 1.981 1.00 0.00 H new ATOM 645 N LYS A 42 60.869 -23.018 5.795 1.00 0.00 N ATOM 646 CA LYS A 42 60.634 -23.140 7.233 1.00 0.00 C ATOM 647 C LYS A 42 61.956 -23.062 7.989 1.00 0.00 C ATOM 648 O LYS A 42 62.134 -23.695 9.029 1.00 0.00 O ATOM 649 CB LYS A 42 59.913 -24.452 7.568 1.00 0.00 C ATOM 650 CG LYS A 42 58.481 -24.389 7.030 1.00 0.00 C ATOM 651 CD LYS A 42 57.779 -25.742 7.219 1.00 0.00 C ATOM 652 CE LYS A 42 57.378 -25.927 8.687 1.00 0.00 C ATOM 653 NZ LYS A 42 56.517 -27.135 8.824 1.00 0.00 N ATOM 0 H LYS A 42 60.416 -22.215 5.360 1.00 0.00 H new ATOM 0 HA LYS A 42 59.994 -22.313 7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 42 60.444 -25.296 7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.903 -24.611 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.925 -23.608 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.494 -24.123 5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.895 -25.794 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.442 -26.551 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 42 58.269 -26.031 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 42 56.844 -25.046 9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.247 -27.258 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.661 -27.019 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 57.041 -27.973 8.502 1.00 0.00 H new ATOM 667 N VAL A 43 62.875 -22.258 7.455 1.00 0.00 N ATOM 668 CA VAL A 43 64.192 -22.062 8.072 1.00 0.00 C ATOM 669 C VAL A 43 64.451 -20.571 8.244 1.00 0.00 C ATOM 670 O VAL A 43 64.187 -19.785 7.343 1.00 0.00 O ATOM 671 CB VAL A 43 65.289 -22.677 7.200 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.664 -22.291 7.750 1.00 0.00 C ATOM 673 CG2 VAL A 43 65.145 -24.202 7.187 1.00 0.00 C ATOM 0 H VAL A 43 62.734 -21.729 6.594 1.00 0.00 H new ATOM 0 HA VAL A 43 64.204 -22.554 9.045 1.00 0.00 H new ATOM 0 HB VAL A 43 65.192 -22.299 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 43 67.442 -22.731 7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.766 -21.206 7.746 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.765 -22.661 8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.928 -24.636 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 43 65.235 -24.585 8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 43 64.169 -24.472 6.783 1.00 0.00 H new ATOM 683 N THR A 44 64.973 -20.190 9.402 1.00 0.00 N ATOM 684 CA THR A 44 65.265 -18.777 9.681 1.00 0.00 C ATOM 685 C THR A 44 66.771 -18.533 9.637 1.00 0.00 C ATOM 686 O THR A 44 67.530 -19.136 10.395 1.00 0.00 O ATOM 687 CB THR A 44 64.736 -18.390 11.068 1.00 0.00 C ATOM 688 OG1 THR A 44 63.416 -18.892 11.229 1.00 0.00 O ATOM 689 CG2 THR A 44 64.721 -16.868 11.219 1.00 0.00 C ATOM 0 H THR A 44 65.204 -20.829 10.163 1.00 0.00 H new ATOM 0 HA THR A 44 64.774 -18.168 8.922 1.00 0.00 H new ATOM 0 HB THR A 44 65.389 -18.818 11.829 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.078 -18.646 12.116 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.344 -16.604 12.207 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.733 -16.481 11.102 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.075 -16.433 10.456 1.00 0.00 H new ATOM 697 N VAL A 45 67.198 -17.644 8.741 1.00 0.00 N ATOM 698 CA VAL A 45 68.624 -17.324 8.603 1.00 0.00 C ATOM 699 C VAL A 45 68.847 -15.814 8.525 1.00 0.00 C ATOM 700 O VAL A 45 67.952 -15.054 8.149 1.00 0.00 O ATOM 701 CB VAL A 45 69.184 -17.997 7.341 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.424 -19.488 7.611 1.00 0.00 C ATOM 703 CG2 VAL A 45 68.180 -17.842 6.194 1.00 0.00 C ATOM 0 H VAL A 45 66.586 -17.135 8.104 1.00 0.00 H new ATOM 0 HA VAL A 45 69.145 -17.699 9.484 1.00 0.00 H new ATOM 0 HB VAL A 45 70.128 -17.524 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.821 -19.961 6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 45 70.139 -19.600 8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.483 -19.964 7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.576 -18.319 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.237 -18.314 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.012 -16.783 5.998 1.00 0.00 H new ATOM 713 N LYS A 46 70.064 -15.392 8.883 1.00 0.00 N ATOM 714 CA LYS A 46 70.441 -13.974 8.857 1.00 0.00 C ATOM 715 C LYS A 46 71.577 -13.747 7.868 1.00 0.00 C ATOM 716 O LYS A 46 72.538 -14.513 7.833 1.00 0.00 O ATOM 717 CB LYS A 46 70.905 -13.537 10.251 1.00 0.00 C ATOM 718 CG LYS A 46 69.716 -13.524 11.209 1.00 0.00 C ATOM 719 CD LYS A 46 70.191 -13.120 12.605 1.00 0.00 C ATOM 720 CE LYS A 46 69.005 -13.113 13.570 1.00 0.00 C ATOM 721 NZ LYS A 46 69.472 -12.700 14.924 1.00 0.00 N ATOM 0 H LYS A 46 70.808 -16.015 9.196 1.00 0.00 H new ATOM 0 HA LYS A 46 69.572 -13.390 8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.673 -14.217 10.619 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.355 -12.545 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.958 -12.826 10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.251 -14.509 11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 46 70.954 -13.815 12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.651 -12.132 12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 46 68.236 -12.428 13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 46 68.553 -14.104 13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.667 -12.695 15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.191 -13.370 15.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 69.884 -11.746 14.873 1.00 0.00 H new ATOM 735 N ILE A 47 71.465 -12.688 7.064 1.00 0.00 N ATOM 736 CA ILE A 47 72.503 -12.369 6.068 1.00 0.00 C ATOM 737 C ILE A 47 72.801 -10.852 6.074 1.00 0.00 C ATOM 738 O ILE A 47 71.947 -10.059 6.473 1.00 0.00 O ATOM 739 CB ILE A 47 72.050 -12.828 4.650 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.585 -13.275 4.691 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.904 -14.010 4.160 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.137 -13.703 3.291 1.00 0.00 C ATOM 0 H ILE A 47 70.677 -12.040 7.078 1.00 0.00 H new ATOM 0 HA ILE A 47 73.416 -12.904 6.330 1.00 0.00 H new ATOM 0 HB ILE A 47 72.171 -11.985 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 70.467 -14.103 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 47 69.956 -12.461 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.570 -14.314 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.950 -13.708 4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.798 -14.847 4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.095 -14.020 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 47 70.239 -12.863 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.758 -14.531 2.948 1.00 0.00 H new ATOM 754 N PRO A 48 73.980 -10.424 5.647 1.00 0.00 N ATOM 755 CA PRO A 48 74.334 -8.963 5.626 1.00 0.00 C ATOM 756 C PRO A 48 73.349 -8.140 4.782 1.00 0.00 C ATOM 757 O PRO A 48 72.825 -8.628 3.780 1.00 0.00 O ATOM 758 CB PRO A 48 75.748 -8.922 5.005 1.00 0.00 C ATOM 759 CG PRO A 48 76.296 -10.307 5.143 1.00 0.00 C ATOM 760 CD PRO A 48 75.097 -11.260 5.149 1.00 0.00 C ATOM 0 HA PRO A 48 74.293 -8.527 6.624 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.706 -8.621 3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.380 -8.199 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.970 -10.540 4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.872 -10.405 6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.891 -11.649 4.152 1.00 0.00 H new ATOM 0 HD3 PRO A 48 75.273 -12.119 5.797 1.00 0.00 H new ATOM 768 N SER A 49 73.107 -6.891 5.193 1.00 0.00 N ATOM 769 CA SER A 49 72.191 -6.009 4.464 1.00 0.00 C ATOM 770 C SER A 49 72.374 -6.162 2.945 1.00 0.00 C ATOM 771 O SER A 49 73.355 -6.747 2.487 1.00 0.00 O ATOM 772 CB SER A 49 72.443 -4.547 4.890 1.00 0.00 C ATOM 773 OG SER A 49 72.883 -3.784 3.772 1.00 0.00 O ATOM 0 H SER A 49 73.529 -6.471 6.021 1.00 0.00 H new ATOM 0 HA SER A 49 71.165 -6.287 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 49 71.529 -4.116 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.192 -4.514 5.681 1.00 0.00 H new ATOM 0 HG SER A 49 73.590 -3.167 4.055 1.00 0.00 H new ATOM 779 N PRO A 50 71.448 -5.654 2.166 1.00 0.00 N ATOM 780 CA PRO A 50 71.498 -5.745 0.672 1.00 0.00 C ATOM 781 C PRO A 50 72.483 -4.743 0.040 1.00 0.00 C ATOM 782 O PRO A 50 72.101 -3.964 -0.832 1.00 0.00 O ATOM 783 CB PRO A 50 70.051 -5.436 0.266 1.00 0.00 C ATOM 784 CG PRO A 50 69.555 -4.501 1.319 1.00 0.00 C ATOM 785 CD PRO A 50 70.238 -4.933 2.622 1.00 0.00 C ATOM 0 HA PRO A 50 71.857 -6.715 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.006 -4.979 -0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.448 -6.343 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 50 69.802 -3.469 1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.470 -4.556 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 50 70.494 -4.074 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.591 -5.576 3.219 1.00 0.00 H new ATOM 793 N VAL A 51 73.749 -4.769 0.483 1.00 0.00 N ATOM 794 CA VAL A 51 74.769 -3.860 -0.065 1.00 0.00 C ATOM 795 C VAL A 51 74.438 -2.396 0.254 1.00 0.00 C ATOM 796 O VAL A 51 73.445 -1.853 -0.229 1.00 0.00 O ATOM 797 CB VAL A 51 74.888 -4.056 -1.587 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.137 -3.339 -2.106 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.007 -5.552 -1.886 1.00 0.00 C ATOM 0 H VAL A 51 74.089 -5.400 1.209 1.00 0.00 H new ATOM 0 HA VAL A 51 75.723 -4.100 0.404 1.00 0.00 H new ATOM 0 HB VAL A 51 74.006 -3.644 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.217 -3.481 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.064 -2.274 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.021 -3.751 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.092 -5.702 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 51 75.893 -5.952 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.121 -6.069 -1.516 1.00 0.00 H new ATOM 809 N ARG A 52 75.284 -1.763 1.076 1.00 0.00 N ATOM 810 CA ARG A 52 75.081 -0.368 1.462 1.00 0.00 C ATOM 811 C ARG A 52 74.923 0.538 0.243 1.00 0.00 C ATOM 812 O ARG A 52 75.546 0.321 -0.796 1.00 0.00 O ATOM 813 CB ARG A 52 76.275 0.115 2.289 1.00 0.00 C ATOM 814 CG ARG A 52 77.569 -0.110 1.505 1.00 0.00 C ATOM 815 CD ARG A 52 78.746 0.453 2.299 1.00 0.00 C ATOM 816 NE ARG A 52 78.958 -0.323 3.516 1.00 0.00 N ATOM 817 CZ ARG A 52 79.890 0.029 4.395 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.643 1.068 4.160 1.00 0.00 N ATOM 819 NH2 ARG A 52 80.065 -0.674 5.480 1.00 0.00 N ATOM 0 H ARG A 52 76.112 -2.196 1.484 1.00 0.00 H new ATOM 0 HA ARG A 52 74.164 -0.317 2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.161 1.173 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.314 -0.422 3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.716 -1.174 1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.507 0.376 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 52 79.648 0.434 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.555 1.496 2.554 1.00 0.00 H new ATOM 0 HE ARG A 52 78.383 -1.147 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.515 1.607 3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.360 1.341 4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 52 79.486 -1.495 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 52 80.781 -0.402 6.154 1.00 0.00 H new ATOM 833 N GLY A 53 74.088 1.565 0.390 1.00 0.00 N ATOM 834 CA GLY A 53 73.850 2.521 -0.688 1.00 0.00 C ATOM 835 C GLY A 53 72.632 3.389 -0.373 1.00 0.00 C ATOM 836 O GLY A 53 72.496 3.885 0.745 1.00 0.00 O ATOM 0 H GLY A 53 73.565 1.756 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.729 3.152 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.692 1.989 -1.626 1.00 0.00 H new ATOM 840 N LYS A 54 71.745 3.569 -1.359 1.00 0.00 N ATOM 841 CA LYS A 54 70.538 4.379 -1.168 1.00 0.00 C ATOM 842 C LYS A 54 69.292 3.538 -1.432 1.00 0.00 C ATOM 843 O LYS A 54 69.186 2.875 -2.464 1.00 0.00 O ATOM 844 CB LYS A 54 70.560 5.570 -2.133 1.00 0.00 C ATOM 845 CG LYS A 54 69.420 6.531 -1.788 1.00 0.00 C ATOM 846 CD LYS A 54 69.492 7.761 -2.695 1.00 0.00 C ATOM 847 CE LYS A 54 68.361 8.723 -2.330 1.00 0.00 C ATOM 848 NZ LYS A 54 68.475 9.966 -3.144 1.00 0.00 N ATOM 0 H LYS A 54 71.840 3.167 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 54 70.515 4.739 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.517 6.087 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.456 5.221 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.459 6.031 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.489 6.833 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.457 8.255 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.408 7.462 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.396 8.248 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.406 8.967 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.704 10.617 -2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 69.390 10.423 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.411 9.727 -4.154 1.00 0.00 H new ATOM 862 N ILE A 55 68.339 3.577 -0.501 1.00 0.00 N ATOM 863 CA ILE A 55 67.097 2.817 -0.649 1.00 0.00 C ATOM 864 C ILE A 55 66.008 3.730 -1.224 1.00 0.00 C ATOM 865 O ILE A 55 65.665 4.746 -0.619 1.00 0.00 O ATOM 866 CB ILE A 55 66.647 2.286 0.727 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.866 1.830 1.544 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.694 1.099 0.543 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.663 0.772 0.778 1.00 0.00 C ATOM 0 H ILE A 55 68.402 4.123 0.358 1.00 0.00 H new ATOM 0 HA ILE A 55 67.264 1.977 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 55 66.135 3.089 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.504 2.686 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.538 1.424 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.380 0.729 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.819 1.419 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.205 0.303 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.522 0.462 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.027 -0.091 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 55 69.009 1.190 -0.167 1.00 0.00 H new ATOM 881 N VAL A 56 65.476 3.376 -2.394 1.00 0.00 N ATOM 882 CA VAL A 56 64.438 4.198 -3.023 1.00 0.00 C ATOM 883 C VAL A 56 63.080 3.983 -2.350 1.00 0.00 C ATOM 884 O VAL A 56 62.418 4.947 -1.965 1.00 0.00 O ATOM 885 CB VAL A 56 64.335 3.880 -4.531 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.000 4.391 -5.104 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.480 4.569 -5.283 1.00 0.00 C ATOM 0 H VAL A 56 65.739 2.542 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 56 64.721 5.243 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 56 64.394 2.799 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 56 62.947 4.157 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.172 3.908 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 56 62.934 5.470 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.405 4.343 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.415 5.647 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.435 4.208 -4.902 1.00 0.00 H new ATOM 897 N LYS A 57 62.652 2.730 -2.231 1.00 0.00 N ATOM 898 CA LYS A 57 61.357 2.454 -1.621 1.00 0.00 C ATOM 899 C LYS A 57 61.207 0.980 -1.276 1.00 0.00 C ATOM 900 O LYS A 57 61.931 0.131 -1.795 1.00 0.00 O ATOM 901 CB LYS A 57 60.240 2.883 -2.583 1.00 0.00 C ATOM 902 CG LYS A 57 58.923 3.055 -1.808 1.00 0.00 C ATOM 903 CD LYS A 57 57.817 3.580 -2.733 1.00 0.00 C ATOM 904 CE LYS A 57 58.016 5.071 -3.037 1.00 0.00 C ATOM 905 NZ LYS A 57 56.765 5.615 -3.637 1.00 0.00 N ATOM 0 H LYS A 57 63.169 1.907 -2.541 1.00 0.00 H new ATOM 0 HA LYS A 57 61.287 3.021 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.509 3.819 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.116 2.136 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.621 2.101 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 57 59.070 3.747 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 57 57.816 3.012 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 57 56.844 3.427 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 57 58.261 5.612 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 57 58.852 5.207 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 56.891 6.626 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.551 5.103 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.978 5.496 -2.967 1.00 0.00 H new ATOM 919 N ILE A 58 60.253 0.686 -0.394 1.00 0.00 N ATOM 920 CA ILE A 58 59.993 -0.683 0.028 1.00 0.00 C ATOM 921 C ILE A 58 58.934 -1.312 -0.879 1.00 0.00 C ATOM 922 O ILE A 58 57.756 -0.957 -0.837 1.00 0.00 O ATOM 923 CB ILE A 58 59.556 -0.667 1.505 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.793 -2.043 2.140 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.081 -0.263 1.636 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.060 -2.143 3.487 1.00 0.00 C ATOM 0 H ILE A 58 59.648 1.382 0.041 1.00 0.00 H new ATOM 0 HA ILE A 58 60.893 -1.292 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 58 60.157 0.073 2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.442 -2.826 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.861 -2.204 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.797 -0.259 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.938 0.733 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.459 -0.976 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.237 -3.125 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.432 -1.372 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.990 -2.003 3.330 1.00 0.00 H new ATOM 938 N LEU A 59 59.372 -2.223 -1.740 1.00 0.00 N ATOM 939 CA LEU A 59 58.451 -2.863 -2.676 1.00 0.00 C ATOM 940 C LEU A 59 57.565 -3.908 -1.982 1.00 0.00 C ATOM 941 O LEU A 59 56.423 -4.123 -2.388 1.00 0.00 O ATOM 942 CB LEU A 59 59.238 -3.496 -3.835 1.00 0.00 C ATOM 943 CG LEU A 59 58.278 -4.122 -4.862 1.00 0.00 C ATOM 944 CD1 LEU A 59 57.344 -3.046 -5.443 1.00 0.00 C ATOM 945 CD2 LEU A 59 59.095 -4.768 -5.984 1.00 0.00 C ATOM 0 H LEU A 59 60.341 -2.532 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 59 57.787 -2.095 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.855 -2.739 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 59 59.914 -4.259 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 59 57.668 -4.880 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.670 -3.502 -6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.761 -2.597 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.938 -2.275 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.420 -5.214 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.708 -4.009 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 59 59.739 -5.542 -5.566 1.00 0.00 H new ATOM 957 N TYR A 60 58.099 -4.569 -0.949 1.00 0.00 N ATOM 958 CA TYR A 60 57.349 -5.610 -0.220 1.00 0.00 C ATOM 959 C TYR A 60 57.134 -5.243 1.248 1.00 0.00 C ATOM 960 O TYR A 60 57.973 -4.600 1.877 1.00 0.00 O ATOM 961 CB TYR A 60 58.107 -6.945 -0.313 1.00 0.00 C ATOM 962 CG TYR A 60 57.785 -7.622 -1.633 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.240 -7.060 -2.832 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.023 -8.804 -1.666 1.00 0.00 C ATOM 965 CE1 TYR A 60 57.944 -7.669 -4.055 1.00 0.00 C ATOM 966 CE2 TYR A 60 56.730 -9.410 -2.890 1.00 0.00 C ATOM 967 CZ TYR A 60 57.188 -8.845 -4.085 1.00 0.00 C ATOM 968 OH TYR A 60 56.893 -9.447 -5.291 1.00 0.00 O ATOM 0 H TYR A 60 59.042 -4.406 -0.597 1.00 0.00 H new ATOM 0 HA TYR A 60 56.366 -5.699 -0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.180 -6.772 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 60 57.827 -7.593 0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.823 -6.151 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 60 56.665 -9.242 -0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.299 -7.231 -4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 60 56.147 -10.319 -2.914 1.00 0.00 H new ATOM 0 HH TYR A 60 56.361 -10.255 -5.132 1.00 0.00 H new ATOM 978 N ARG A 61 55.989 -5.678 1.784 1.00 0.00 N ATOM 979 CA ARG A 61 55.632 -5.426 3.182 1.00 0.00 C ATOM 980 C ARG A 61 55.397 -6.750 3.906 1.00 0.00 C ATOM 981 O ARG A 61 55.189 -7.786 3.276 1.00 0.00 O ATOM 982 CB ARG A 61 54.366 -4.567 3.243 1.00 0.00 C ATOM 983 CG ARG A 61 54.679 -3.182 2.673 1.00 0.00 C ATOM 984 CD ARG A 61 53.422 -2.312 2.692 1.00 0.00 C ATOM 985 NE ARG A 61 53.719 -1.000 2.127 1.00 0.00 N ATOM 986 CZ ARG A 61 52.900 0.030 2.309 1.00 0.00 C ATOM 987 NH1 ARG A 61 51.788 -0.132 2.973 1.00 0.00 N ATOM 988 NH2 ARG A 61 53.207 1.201 1.824 1.00 0.00 N ATOM 0 H ARG A 61 55.290 -6.210 1.266 1.00 0.00 H new ATOM 0 HA ARG A 61 56.449 -4.896 3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.564 -5.037 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.018 -4.481 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 61 55.468 -2.709 3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 61 55.051 -3.275 1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.628 -2.792 2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 61 53.059 -2.204 3.714 1.00 0.00 H new ATOM 0 HE ARG A 61 54.572 -0.871 1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 61 51.549 -1.049 3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 61 51.158 0.658 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 61 54.076 1.326 1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 61 52.578 1.992 1.964 1.00 0.00 H new ATOM 1002 N GLU A 62 55.447 -6.705 5.229 1.00 0.00 N ATOM 1003 CA GLU A 62 55.259 -7.907 6.040 1.00 0.00 C ATOM 1004 C GLU A 62 53.928 -8.587 5.739 1.00 0.00 C ATOM 1005 O GLU A 62 52.911 -7.925 5.533 1.00 0.00 O ATOM 1006 CB GLU A 62 55.299 -7.548 7.530 1.00 0.00 C ATOM 1007 CG GLU A 62 56.705 -7.094 7.914 1.00 0.00 C ATOM 1008 CD GLU A 62 56.736 -6.679 9.381 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.724 -6.842 10.043 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.769 -6.198 9.819 1.00 0.00 O ATOM 0 H GLU A 62 55.615 -5.854 5.766 1.00 0.00 H new ATOM 0 HA GLU A 62 56.068 -8.594 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.580 -6.756 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.009 -8.411 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.417 -7.901 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.011 -6.258 7.284 1.00 0.00 H new ATOM 1017 N GLY A 63 53.943 -9.923 5.744 1.00 0.00 N ATOM 1018 CA GLY A 63 52.720 -10.707 5.501 1.00 0.00 C ATOM 1019 C GLY A 63 52.615 -11.180 4.053 1.00 0.00 C ATOM 1020 O GLY A 63 51.611 -11.779 3.667 1.00 0.00 O ATOM 0 H GLY A 63 54.778 -10.484 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 63 52.707 -11.571 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 63 51.848 -10.102 5.748 1.00 0.00 H new ATOM 1024 N GLN A 64 53.642 -10.912 3.249 1.00 0.00 N ATOM 1025 CA GLN A 64 53.624 -11.323 1.840 1.00 0.00 C ATOM 1026 C GLN A 64 54.390 -12.625 1.623 1.00 0.00 C ATOM 1027 O GLN A 64 55.525 -12.784 2.071 1.00 0.00 O ATOM 1028 CB GLN A 64 54.222 -10.222 0.964 1.00 0.00 C ATOM 1029 CG GLN A 64 53.241 -9.051 0.891 1.00 0.00 C ATOM 1030 CD GLN A 64 53.842 -7.910 0.079 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.415 -8.136 -0.987 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.734 -6.686 0.519 1.00 0.00 N ATOM 0 H GLN A 64 54.487 -10.420 3.540 1.00 0.00 H new ATOM 0 HA GLN A 64 52.584 -11.492 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.174 -9.889 1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.424 -10.606 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.306 -9.378 0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.002 -8.705 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 64 53.259 -6.502 1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 64 54.125 -5.914 -0.021 1.00 0.00 H new ATOM 1041 N VAL A 65 53.745 -13.544 0.905 1.00 0.00 N ATOM 1042 CA VAL A 65 54.333 -14.847 0.577 1.00 0.00 C ATOM 1043 C VAL A 65 54.354 -15.008 -0.941 1.00 0.00 C ATOM 1044 O VAL A 65 53.310 -14.912 -1.585 1.00 0.00 O ATOM 1045 CB VAL A 65 53.478 -15.963 1.182 1.00 0.00 C ATOM 1046 CG1 VAL A 65 54.092 -17.326 0.859 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.378 -15.789 2.703 1.00 0.00 C ATOM 0 H VAL A 65 52.804 -13.409 0.535 1.00 0.00 H new ATOM 0 HA VAL A 65 55.345 -14.905 0.979 1.00 0.00 H new ATOM 0 HB VAL A 65 52.478 -15.909 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 65 53.477 -18.114 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 65 54.139 -17.457 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 65 55.098 -17.380 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 65 52.767 -16.589 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.376 -15.828 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 65 52.920 -14.826 2.930 1.00 0.00 H new ATOM 1057 N VAL A 66 55.537 -15.234 -1.508 1.00 0.00 N ATOM 1058 CA VAL A 66 55.668 -15.380 -2.963 1.00 0.00 C ATOM 1059 C VAL A 66 56.823 -16.337 -3.316 1.00 0.00 C ATOM 1060 O VAL A 66 57.886 -16.255 -2.701 1.00 0.00 O ATOM 1061 CB VAL A 66 55.955 -14.005 -3.576 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.956 -14.096 -5.103 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.877 -13.012 -3.137 1.00 0.00 C ATOM 0 H VAL A 66 56.413 -15.320 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 66 54.740 -15.791 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 66 56.933 -13.667 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.161 -13.113 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.726 -14.797 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.982 -14.443 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.083 -12.035 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.901 -13.362 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 66 54.878 -12.931 -2.050 1.00 0.00 H new ATOM 1073 N PRO A 67 56.673 -17.220 -4.296 1.00 0.00 N ATOM 1074 CA PRO A 67 57.783 -18.147 -4.691 1.00 0.00 C ATOM 1075 C PRO A 67 59.094 -17.403 -4.972 1.00 0.00 C ATOM 1076 O PRO A 67 59.096 -16.303 -5.525 1.00 0.00 O ATOM 1077 CB PRO A 67 57.265 -18.832 -5.970 1.00 0.00 C ATOM 1078 CG PRO A 67 55.777 -18.733 -5.901 1.00 0.00 C ATOM 1079 CD PRO A 67 55.455 -17.463 -5.107 1.00 0.00 C ATOM 0 HA PRO A 67 58.019 -18.849 -3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.650 -18.339 -6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.587 -19.872 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 67 55.346 -18.684 -6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.353 -19.611 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.243 -16.623 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.577 -17.600 -4.475 1.00 0.00 H new ATOM 1087 N VAL A 68 60.203 -18.026 -4.583 1.00 0.00 N ATOM 1088 CA VAL A 68 61.530 -17.433 -4.790 1.00 0.00 C ATOM 1089 C VAL A 68 61.779 -17.150 -6.272 1.00 0.00 C ATOM 1090 O VAL A 68 61.627 -18.028 -7.122 1.00 0.00 O ATOM 1091 CB VAL A 68 62.608 -18.401 -4.260 1.00 0.00 C ATOM 1092 CG1 VAL A 68 64.004 -17.974 -4.736 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.584 -18.418 -2.728 1.00 0.00 C ATOM 0 H VAL A 68 60.214 -18.937 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 68 61.577 -16.488 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 68 62.391 -19.397 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 68 64.749 -18.670 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 68 64.034 -17.977 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 68 64.222 -16.971 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.347 -19.103 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.784 -17.415 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 68 61.604 -18.747 -2.383 1.00 0.00 H new ATOM 1103 N GLY A 69 62.184 -15.911 -6.564 1.00 0.00 N ATOM 1104 CA GLY A 69 62.481 -15.501 -7.942 1.00 0.00 C ATOM 1105 C GLY A 69 62.012 -14.075 -8.230 1.00 0.00 C ATOM 1106 O GLY A 69 61.321 -13.835 -9.220 1.00 0.00 O ATOM 0 H GLY A 69 62.314 -15.176 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.554 -15.572 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.998 -16.188 -8.637 1.00 0.00 H new ATOM 1110 N SER A 70 62.395 -13.122 -7.377 1.00 0.00 N ATOM 1111 CA SER A 70 61.997 -11.730 -7.588 1.00 0.00 C ATOM 1112 C SER A 70 62.798 -10.782 -6.697 1.00 0.00 C ATOM 1113 O SER A 70 63.510 -11.216 -5.791 1.00 0.00 O ATOM 1114 CB SER A 70 60.506 -11.568 -7.299 1.00 0.00 C ATOM 1115 OG SER A 70 60.096 -10.256 -7.661 1.00 0.00 O ATOM 0 H SER A 70 62.969 -13.284 -6.550 1.00 0.00 H new ATOM 0 HA SER A 70 62.201 -11.475 -8.628 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.933 -12.308 -7.859 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.308 -11.744 -6.242 1.00 0.00 H new ATOM 0 HG SER A 70 59.139 -10.150 -7.478 1.00 0.00 H new ATOM 1121 N THR A 71 62.669 -9.481 -6.966 1.00 0.00 N ATOM 1122 CA THR A 71 63.371 -8.451 -6.193 1.00 0.00 C ATOM 1123 C THR A 71 62.400 -7.771 -5.234 1.00 0.00 C ATOM 1124 O THR A 71 61.388 -7.213 -5.655 1.00 0.00 O ATOM 1125 CB THR A 71 63.964 -7.408 -7.145 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.794 -6.520 -6.411 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.837 -6.614 -7.820 1.00 0.00 C ATOM 0 H THR A 71 62.083 -9.114 -7.716 1.00 0.00 H new ATOM 0 HA THR A 71 64.173 -8.918 -5.621 1.00 0.00 H new ATOM 0 HB THR A 71 64.552 -7.914 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.237 -5.864 -5.942 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.267 -5.874 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.200 -7.295 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.242 -6.108 -7.059 1.00 0.00 H new ATOM 1135 N LEU A 72 62.694 -7.849 -3.940 1.00 0.00 N ATOM 1136 CA LEU A 72 61.816 -7.269 -2.926 1.00 0.00 C ATOM 1137 C LEU A 72 62.148 -5.801 -2.619 1.00 0.00 C ATOM 1138 O LEU A 72 61.404 -5.141 -1.894 1.00 0.00 O ATOM 1139 CB LEU A 72 61.912 -8.099 -1.642 1.00 0.00 C ATOM 1140 CG LEU A 72 61.733 -9.602 -1.946 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.474 -9.830 -2.793 1.00 0.00 C ATOM 1142 CD2 LEU A 72 62.958 -10.181 -2.683 1.00 0.00 C ATOM 0 H LEU A 72 63.528 -8.305 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 72 60.801 -7.289 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 72 62.879 -7.932 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 72 61.149 -7.773 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 72 61.630 -10.117 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 72 60.362 -10.894 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 72 59.600 -9.471 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 72 60.565 -9.286 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 72 62.796 -11.241 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 72 63.098 -9.653 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 72 63.847 -10.059 -2.064 1.00 0.00 H new ATOM 1154 N LEU A 73 63.251 -5.287 -3.159 1.00 0.00 N ATOM 1155 CA LEU A 73 63.634 -3.890 -2.916 1.00 0.00 C ATOM 1156 C LEU A 73 64.554 -3.400 -4.044 1.00 0.00 C ATOM 1157 O LEU A 73 65.355 -4.173 -4.571 1.00 0.00 O ATOM 1158 CB LEU A 73 64.295 -3.785 -1.513 1.00 0.00 C ATOM 1159 CG LEU A 73 65.281 -2.602 -1.397 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.589 -1.246 -1.606 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.924 -2.623 -0.001 1.00 0.00 C ATOM 0 H LEU A 73 63.891 -5.806 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 73 62.758 -3.242 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.516 -3.677 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.823 -4.713 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 73 66.032 -2.717 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.323 -0.445 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.140 -1.216 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.812 -1.114 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.622 -1.791 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.148 -2.531 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.459 -3.562 0.139 1.00 0.00 H new ATOM 1173 N GLN A 74 64.426 -2.121 -4.425 1.00 0.00 N ATOM 1174 CA GLN A 74 65.252 -1.560 -5.512 1.00 0.00 C ATOM 1175 C GLN A 74 66.363 -0.671 -4.954 1.00 0.00 C ATOM 1176 O GLN A 74 66.117 0.169 -4.090 1.00 0.00 O ATOM 1177 CB GLN A 74 64.375 -0.729 -6.456 1.00 0.00 C ATOM 1178 CG GLN A 74 63.432 -1.648 -7.240 1.00 0.00 C ATOM 1179 CD GLN A 74 62.319 -2.152 -6.328 1.00 0.00 C ATOM 1180 OE1 GLN A 74 61.766 -1.385 -5.538 1.00 0.00 O ATOM 1181 NE2 GLN A 74 61.949 -3.399 -6.397 1.00 0.00 N ATOM 0 H GLN A 74 63.770 -1.462 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 74 65.704 -2.390 -6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.797 -0.003 -5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.002 -0.164 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 74 63.005 -1.109 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.989 -2.491 -7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 74 62.408 -4.032 -7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 74 61.200 -3.743 -5.796 1.00 0.00 H new ATOM 1190 N ILE A 75 67.595 -0.865 -5.447 1.00 0.00 N ATOM 1191 CA ILE A 75 68.739 -0.076 -4.974 1.00 0.00 C ATOM 1192 C ILE A 75 69.564 0.484 -6.131 1.00 0.00 C ATOM 1193 O ILE A 75 69.968 -0.248 -7.034 1.00 0.00 O ATOM 1194 CB ILE A 75 69.634 -0.970 -4.107 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.866 -1.420 -2.861 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.889 -0.218 -3.666 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.626 -2.562 -2.188 1.00 0.00 C ATOM 0 H ILE A 75 67.822 -1.553 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 75 68.354 0.766 -4.399 1.00 0.00 H new ATOM 0 HB ILE A 75 69.926 -1.835 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.751 -0.586 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.863 -1.747 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.508 -0.872 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.453 0.096 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.603 0.659 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 75 69.084 -2.886 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.718 -3.397 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.620 -2.218 -1.901 1.00 0.00 H new ATOM 1209 N ASP A 76 69.835 1.787 -6.067 1.00 0.00 N ATOM 1210 CA ASP A 76 70.647 2.462 -7.085 1.00 0.00 C ATOM 1211 C ASP A 76 72.072 2.659 -6.573 1.00 0.00 C ATOM 1212 O ASP A 76 72.299 3.408 -5.624 1.00 0.00 O ATOM 1213 CB ASP A 76 70.050 3.825 -7.427 1.00 0.00 C ATOM 1214 CG ASP A 76 70.694 4.371 -8.697 1.00 0.00 C ATOM 1215 OD1 ASP A 76 71.819 3.995 -8.978 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.049 5.157 -9.374 1.00 0.00 O ATOM 0 H ASP A 76 69.505 2.399 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 76 70.660 1.839 -7.979 1.00 0.00 H new ATOM 0 HB2 ASP A 76 68.973 3.735 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.209 4.519 -6.601 1.00 0.00 H new ATOM 1221 N THR A 77 73.029 1.984 -7.201 1.00 0.00 N ATOM 1222 CA THR A 77 74.421 2.107 -6.785 1.00 0.00 C ATOM 1223 C THR A 77 74.848 3.572 -6.789 1.00 0.00 C ATOM 1224 O THR A 77 74.208 4.350 -7.478 1.00 0.00 O ATOM 1225 CB THR A 77 75.334 1.308 -7.720 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.679 1.714 -7.522 1.00 0.00 O ATOM 1227 CG2 THR A 77 74.933 1.561 -9.176 1.00 0.00 C ATOM 1228 OXT THR A 77 75.807 3.894 -6.110 1.00 0.00 O ATOM 0 H THR A 77 72.870 1.355 -7.988 1.00 0.00 H new ATOM 0 HA THR A 77 74.510 1.709 -5.774 1.00 0.00 H new ATOM 0 HB THR A 77 75.236 0.245 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.266 1.203 -8.118 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.585 0.991 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 77 73.900 1.249 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.028 2.623 -9.400 1.00 0.00 H new