USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 832 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 Set 1.1: A 55 HIS : no HD1:sc= -0.0103 X(o=-4.1,f=-4.3) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -156:sc= -4.05! (180deg=-6.57!) USER MOD Set 2.1: A 28 ASN : amide:sc= -2.85 K(o=-1.8,f=-5!) USER MOD Set 2.2: A 54 SER OG : rot 102:sc= 1.06 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 57:sc= -1.56 USER MOD Single : A 20 ASN : amide:sc= -0.201 K(o=-0.2,f=-0.82) USER MOD Single : A 25 THR OG1 : rot -3:sc= 0.858 USER MOD Single : A 26 THR OG1 : rot -106:sc= 1.12 USER MOD Single : A 27 ASN : amide:sc= -3.2! C(o=-3.2!,f=-2.4!) USER MOD Single : A 30 MET CE :methyl -143:sc= -0.351 (180deg=-1.52!) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0.842 (180deg=0.75) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 20:sc= 0.0471 USER MOD Single : A 52 THR OG1 : rot -110:sc= -0.0697 USER MOD Single : A 56 TYR OH : rot -102:sc= 1.53 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -51:sc= 0.233 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.132) USER MOD Single : A 76 THR OG1 : rot -88:sc= -7.57! USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 1.2 (180deg=0.952) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -8.58! C(o=-8.6!,f=-3.1!) USER MOD Single : A 95 MET CE :methyl 163:sc= -1.49 (180deg=-1.95) USER MOD Single : A 98 HIS : no HD1:sc= -0.326 K(o=-0.33,f=-6.5!) USER MOD Single : A 103 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 59 N PRO A 5 -16.237 -8.151 -13.123 1.00 0.00 N ATOM 60 CA PRO A 5 -15.904 -8.470 -11.703 1.00 0.00 C ATOM 61 C PRO A 5 -16.801 -7.703 -10.738 1.00 0.00 C ATOM 62 O PRO A 5 -17.664 -8.275 -10.069 1.00 0.00 O ATOM 63 CB PRO A 5 -14.443 -8.024 -11.555 1.00 0.00 C ATOM 64 CG PRO A 5 -13.869 -8.088 -12.937 1.00 0.00 C ATOM 65 CD PRO A 5 -15.028 -7.823 -13.909 1.00 0.00 C ATOM 0 HA PRO A 5 -16.051 -9.525 -11.471 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.379 -7.015 -11.149 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.899 -8.677 -10.873 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.081 -7.346 -13.063 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.421 -9.064 -13.125 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.039 -6.786 -14.244 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.951 -8.445 -14.801 1.00 0.00 H new ATOM 73 N ARG A 6 -16.588 -6.398 -10.694 1.00 0.00 N ATOM 74 CA ARG A 6 -17.359 -5.524 -9.846 1.00 0.00 C ATOM 75 C ARG A 6 -17.245 -4.098 -10.371 1.00 0.00 C ATOM 76 O ARG A 6 -18.244 -3.500 -10.773 1.00 0.00 O ATOM 77 CB ARG A 6 -16.928 -5.625 -8.355 1.00 0.00 C ATOM 78 CG ARG A 6 -15.453 -6.073 -8.192 1.00 0.00 C ATOM 79 CD ARG A 6 -15.243 -6.646 -6.787 1.00 0.00 C ATOM 80 NE ARG A 6 -15.957 -7.911 -6.659 1.00 0.00 N ATOM 81 CZ ARG A 6 -15.954 -8.593 -5.521 1.00 0.00 C ATOM 82 NH1 ARG A 6 -15.278 -8.151 -4.498 1.00 0.00 N ATOM 83 NH2 ARG A 6 -16.621 -9.711 -5.431 1.00 0.00 N ATOM 0 H ARG A 6 -15.875 -5.922 -11.247 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.403 -5.835 -9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.065 -4.656 -7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.578 -6.332 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.205 -6.823 -8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.785 -5.227 -8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.180 -6.797 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.600 -5.939 -6.038 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.469 -8.279 -7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.751 -7.281 -4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.276 -8.675 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.144 -10.059 -6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.620 -10.237 -4.557 1.00 0.00 H new ATOM 97 N LYS A 7 -16.026 -3.575 -10.415 1.00 0.00 N ATOM 98 CA LYS A 7 -15.801 -2.246 -10.943 1.00 0.00 C ATOM 99 C LYS A 7 -14.306 -1.922 -10.952 1.00 0.00 C ATOM 100 O LYS A 7 -13.735 -1.577 -9.925 1.00 0.00 O ATOM 101 CB LYS A 7 -16.550 -1.176 -10.109 1.00 0.00 C ATOM 102 CG LYS A 7 -16.940 0.023 -11.023 1.00 0.00 C ATOM 103 CD LYS A 7 -16.672 1.399 -10.348 1.00 0.00 C ATOM 104 CE LYS A 7 -16.076 2.375 -11.379 1.00 0.00 C ATOM 105 NZ LYS A 7 -15.982 3.737 -10.779 1.00 0.00 N ATOM 0 H LYS A 7 -15.185 -4.053 -10.092 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.186 -2.228 -11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.444 -1.610 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.918 -0.831 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -16.377 -0.037 -11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -17.996 -0.051 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.600 1.804 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.986 1.276 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.088 2.034 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.700 2.402 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.579 4.396 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.931 4.061 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.370 3.705 -9.939 1.00 0.00 H new ATOM 119 N ARG A 8 -13.675 -2.041 -12.111 1.00 0.00 N ATOM 120 CA ARG A 8 -12.248 -1.760 -12.232 1.00 0.00 C ATOM 121 C ARG A 8 -11.977 -0.261 -12.322 1.00 0.00 C ATOM 122 O ARG A 8 -12.535 0.431 -13.172 1.00 0.00 O ATOM 123 CB ARG A 8 -11.656 -2.463 -13.467 1.00 0.00 C ATOM 124 CG ARG A 8 -10.140 -2.248 -13.528 1.00 0.00 C ATOM 125 CD ARG A 8 -9.574 -3.026 -14.716 1.00 0.00 C ATOM 126 NE ARG A 8 -9.726 -4.461 -14.497 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.350 -5.342 -15.417 1.00 0.00 C ATOM 128 NH1 ARG A 8 -8.829 -4.931 -16.540 1.00 0.00 N ATOM 129 NH2 ARG A 8 -9.504 -6.621 -15.199 1.00 0.00 N ATOM 0 H ARG A 8 -14.125 -2.329 -12.980 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.768 -2.145 -11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.877 -3.530 -13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.122 -2.074 -14.373 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.914 -1.187 -13.631 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.675 -2.584 -12.602 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.090 -2.734 -15.631 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.521 -2.781 -14.852 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.129 -4.794 -13.621 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.710 -3.933 -16.712 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.540 -5.608 -17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.913 -6.943 -14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.215 -7.297 -15.906 1.00 0.00 H new ATOM 143 N VAL A 9 -11.103 0.232 -11.438 1.00 0.00 N ATOM 144 CA VAL A 9 -10.750 1.661 -11.429 1.00 0.00 C ATOM 145 C VAL A 9 -9.314 1.854 -11.895 1.00 0.00 C ATOM 146 O VAL A 9 -8.398 1.190 -11.413 1.00 0.00 O ATOM 147 CB VAL A 9 -10.859 2.247 -10.012 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.028 3.773 -10.051 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.046 1.627 -9.278 1.00 0.00 C ATOM 0 H VAL A 9 -10.631 -0.327 -10.727 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.445 2.169 -12.098 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.935 2.013 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.102 4.157 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.167 4.222 -10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.935 4.025 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.114 2.049 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.964 1.841 -9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.908 0.548 -9.209 1.00 0.00 H new ATOM 159 N ALA A 10 -9.124 2.785 -12.805 1.00 0.00 N ATOM 160 CA ALA A 10 -7.790 3.092 -13.302 1.00 0.00 C ATOM 161 C ALA A 10 -7.204 4.238 -12.476 1.00 0.00 C ATOM 162 O ALA A 10 -7.305 5.401 -12.868 1.00 0.00 O ATOM 163 CB ALA A 10 -7.866 3.511 -14.772 1.00 0.00 C ATOM 0 H ALA A 10 -9.871 3.344 -13.218 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.157 2.209 -13.216 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.865 3.739 -15.138 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.291 2.698 -15.361 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.497 4.395 -14.866 1.00 0.00 H new ATOM 169 N LEU A 11 -6.617 3.919 -11.316 1.00 0.00 N ATOM 170 CA LEU A 11 -6.059 4.967 -10.444 1.00 0.00 C ATOM 171 C LEU A 11 -4.546 5.105 -10.653 1.00 0.00 C ATOM 172 O LEU A 11 -3.788 4.173 -10.388 1.00 0.00 O ATOM 173 CB LEU A 11 -6.350 4.599 -8.977 1.00 0.00 C ATOM 174 CG LEU A 11 -6.451 5.874 -8.102 1.00 0.00 C ATOM 175 CD1 LEU A 11 -6.651 5.525 -6.608 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.171 6.698 -8.254 1.00 0.00 C ATOM 0 H LEU A 11 -6.516 2.968 -10.963 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.524 5.921 -10.693 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.281 4.035 -8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.560 3.952 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.316 6.445 -8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.717 6.444 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.570 4.952 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.806 4.933 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.241 7.595 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.315 6.104 -7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.044 6.983 -9.298 1.00 0.00 H new ATOM 188 N PHE A 12 -4.113 6.276 -11.127 1.00 0.00 N ATOM 189 CA PHE A 12 -2.696 6.528 -11.363 1.00 0.00 C ATOM 190 C PHE A 12 -2.110 7.269 -10.171 1.00 0.00 C ATOM 191 O PHE A 12 -2.361 8.461 -9.989 1.00 0.00 O ATOM 192 CB PHE A 12 -2.521 7.395 -12.612 1.00 0.00 C ATOM 193 CG PHE A 12 -3.485 6.939 -13.683 1.00 0.00 C ATOM 194 CD1 PHE A 12 -3.144 5.887 -14.543 1.00 0.00 C ATOM 195 CD2 PHE A 12 -4.728 7.572 -13.810 1.00 0.00 C ATOM 196 CE1 PHE A 12 -4.048 5.471 -15.530 1.00 0.00 C ATOM 197 CE2 PHE A 12 -5.630 7.156 -14.796 1.00 0.00 C ATOM 198 CZ PHE A 12 -5.290 6.104 -15.656 1.00 0.00 C ATOM 0 H PHE A 12 -4.724 7.060 -11.353 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.186 5.575 -11.503 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.701 8.442 -12.369 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.496 7.324 -12.976 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.186 5.397 -14.446 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.991 8.382 -13.146 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.786 4.661 -16.194 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.588 7.646 -14.894 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.986 5.781 -16.416 1.00 0.00 H new ATOM 208 N THR A 13 -1.330 6.571 -9.371 1.00 0.00 N ATOM 209 CA THR A 13 -0.718 7.196 -8.205 1.00 0.00 C ATOM 210 C THR A 13 0.284 8.252 -8.675 1.00 0.00 C ATOM 211 O THR A 13 1.489 8.005 -8.739 1.00 0.00 O ATOM 212 CB THR A 13 -0.028 6.121 -7.324 1.00 0.00 C ATOM 213 OG1 THR A 13 -0.028 4.887 -8.019 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.778 5.943 -5.991 1.00 0.00 C ATOM 0 H THR A 13 -1.104 5.585 -9.499 1.00 0.00 H new ATOM 0 HA THR A 13 -1.483 7.681 -7.598 1.00 0.00 H new ATOM 0 HB THR A 13 0.992 6.443 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.420 4.998 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.276 5.185 -5.390 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.786 6.889 -5.449 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.803 5.629 -6.189 1.00 0.00 H new ATOM 222 N ASP A 14 -0.235 9.429 -9.018 1.00 0.00 N ATOM 223 CA ASP A 14 0.597 10.531 -9.499 1.00 0.00 C ATOM 224 C ASP A 14 0.570 11.691 -8.508 1.00 0.00 C ATOM 225 O ASP A 14 0.238 12.820 -8.872 1.00 0.00 O ATOM 226 CB ASP A 14 0.073 11.003 -10.857 1.00 0.00 C ATOM 227 CG ASP A 14 1.088 11.937 -11.506 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.894 12.498 -10.783 1.00 0.00 O ATOM 229 OD2 ASP A 14 1.048 12.074 -12.718 1.00 0.00 O ATOM 0 H ASP A 14 -1.231 9.645 -8.972 1.00 0.00 H new ATOM 0 HA ASP A 14 1.625 10.183 -9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.111 10.145 -11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.880 11.518 -10.731 1.00 0.00 H new ATOM 234 N GLY A 15 0.912 11.400 -7.250 1.00 0.00 N ATOM 235 CA GLY A 15 0.921 12.414 -6.191 1.00 0.00 C ATOM 236 C GLY A 15 1.321 13.787 -6.728 1.00 0.00 C ATOM 237 O GLY A 15 0.478 14.543 -7.210 1.00 0.00 O ATOM 0 H GLY A 15 1.187 10.468 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.068 12.475 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.615 12.114 -5.406 1.00 0.00 H new ATOM 241 N ALA A 16 2.612 14.095 -6.650 1.00 0.00 N ATOM 242 CA ALA A 16 3.117 15.374 -7.141 1.00 0.00 C ATOM 243 C ALA A 16 4.635 15.431 -7.013 1.00 0.00 C ATOM 244 O ALA A 16 5.339 15.701 -7.985 1.00 0.00 O ATOM 245 CB ALA A 16 2.491 16.526 -6.352 1.00 0.00 C ATOM 0 H ALA A 16 3.324 13.481 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 16 2.846 15.470 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.875 17.475 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.408 16.501 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.744 16.424 -5.297 1.00 0.00 H new ATOM 251 N ALA A 17 5.130 15.173 -5.806 1.00 0.00 N ATOM 252 CA ALA A 17 6.568 15.193 -5.548 1.00 0.00 C ATOM 253 C ALA A 17 7.080 16.625 -5.431 1.00 0.00 C ATOM 254 O ALA A 17 7.535 17.219 -6.406 1.00 0.00 O ATOM 255 CB ALA A 17 7.317 14.449 -6.663 1.00 0.00 C ATOM 0 H ALA A 17 4.558 14.948 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 17 6.752 14.687 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.388 14.471 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.976 13.414 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.120 14.933 -7.620 1.00 0.00 H new ATOM 261 N LEU A 18 6.991 17.160 -4.221 1.00 0.00 N ATOM 262 CA LEU A 18 7.431 18.523 -3.943 1.00 0.00 C ATOM 263 C LEU A 18 7.248 18.849 -2.473 1.00 0.00 C ATOM 264 O LEU A 18 7.290 20.012 -2.074 1.00 0.00 O ATOM 265 CB LEU A 18 6.627 19.524 -4.787 1.00 0.00 C ATOM 266 CG LEU A 18 5.097 19.318 -4.590 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.554 20.166 -3.425 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.353 19.729 -5.867 1.00 0.00 C ATOM 0 H LEU A 18 6.616 16.668 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 18 8.488 18.599 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.899 20.542 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.881 19.404 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 18 4.936 18.264 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.483 19.995 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.060 19.883 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.735 21.222 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.282 19.584 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.552 20.779 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.696 19.117 -6.701 1.00 0.00 H new ATOM 280 N GLY A 19 7.010 17.822 -1.674 1.00 0.00 N ATOM 281 CA GLY A 19 6.778 18.016 -0.261 1.00 0.00 C ATOM 282 C GLY A 19 7.867 18.877 0.340 1.00 0.00 C ATOM 283 O GLY A 19 8.991 18.912 -0.161 1.00 0.00 O ATOM 0 H GLY A 19 6.973 16.851 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.807 18.487 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.748 17.051 0.245 1.00 0.00 H new ATOM 287 N ASN A 20 7.534 19.553 1.434 1.00 0.00 N ATOM 288 CA ASN A 20 8.514 20.395 2.119 1.00 0.00 C ATOM 289 C ASN A 20 9.857 19.652 2.183 1.00 0.00 C ATOM 290 O ASN A 20 10.893 20.210 1.822 1.00 0.00 O ATOM 291 CB ASN A 20 8.009 20.781 3.538 1.00 0.00 C ATOM 292 CG ASN A 20 8.065 22.296 3.750 1.00 0.00 C ATOM 293 OD1 ASN A 20 8.941 22.969 3.204 1.00 0.00 O ATOM 294 ND2 ASN A 20 7.182 22.873 4.520 1.00 0.00 N ATOM 0 H ASN A 20 6.608 19.537 1.862 1.00 0.00 H new ATOM 0 HA ASN A 20 8.652 21.323 1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.986 20.430 3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.618 20.282 4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.217 23.881 4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.457 22.315 4.972 1.00 0.00 H new ATOM 301 N PRO A 21 9.856 18.393 2.579 1.00 0.00 N ATOM 302 CA PRO A 21 11.097 17.565 2.623 1.00 0.00 C ATOM 303 C PRO A 21 11.663 17.423 1.223 1.00 0.00 C ATOM 304 O PRO A 21 12.840 17.681 0.972 1.00 0.00 O ATOM 305 CB PRO A 21 10.607 16.202 3.158 1.00 0.00 C ATOM 306 CG PRO A 21 9.336 16.518 3.861 1.00 0.00 C ATOM 307 CD PRO A 21 8.696 17.610 3.019 1.00 0.00 C ATOM 0 HA PRO A 21 11.887 17.994 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.447 15.491 2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.335 15.755 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.692 15.641 3.930 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.520 16.859 4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.140 17.199 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.996 18.212 3.599 1.00 0.00 H new ATOM 315 N GLY A 22 10.779 17.003 0.317 1.00 0.00 N ATOM 316 CA GLY A 22 11.128 16.803 -1.078 1.00 0.00 C ATOM 317 C GLY A 22 10.706 15.401 -1.540 1.00 0.00 C ATOM 318 O GLY A 22 10.334 14.562 -0.721 1.00 0.00 O ATOM 0 H GLY A 22 9.805 16.794 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.639 17.558 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.202 16.929 -1.212 1.00 0.00 H new ATOM 322 N PRO A 23 10.789 15.124 -2.823 1.00 0.00 N ATOM 323 CA PRO A 23 10.440 13.779 -3.392 1.00 0.00 C ATOM 324 C PRO A 23 11.177 12.641 -2.690 1.00 0.00 C ATOM 325 O PRO A 23 10.889 11.464 -2.908 1.00 0.00 O ATOM 326 CB PRO A 23 10.930 13.891 -4.834 1.00 0.00 C ATOM 327 CG PRO A 23 10.825 15.326 -5.167 1.00 0.00 C ATOM 328 CD PRO A 23 11.211 16.055 -3.887 1.00 0.00 C ATOM 0 HA PRO A 23 9.380 13.550 -3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.957 13.538 -4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.321 13.285 -5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.491 15.591 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.814 15.586 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.282 16.254 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.704 17.017 -3.804 1.00 0.00 H new ATOM 336 N GLY A 24 12.164 13.033 -1.904 1.00 0.00 N ATOM 337 CA GLY A 24 13.029 12.103 -1.176 1.00 0.00 C ATOM 338 C GLY A 24 12.298 10.856 -0.664 1.00 0.00 C ATOM 339 O GLY A 24 12.945 9.875 -0.310 1.00 0.00 O ATOM 0 H GLY A 24 12.395 14.014 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.845 11.793 -1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.477 12.624 -0.330 1.00 0.00 H new ATOM 343 N THR A 25 10.963 10.899 -0.667 1.00 0.00 N ATOM 344 CA THR A 25 10.113 9.775 -0.243 1.00 0.00 C ATOM 345 C THR A 25 8.702 10.251 0.109 1.00 0.00 C ATOM 346 O THR A 25 7.848 9.448 0.486 1.00 0.00 O ATOM 347 CB THR A 25 10.694 9.042 0.972 1.00 0.00 C ATOM 348 OG1 THR A 25 9.719 8.129 1.461 1.00 0.00 O ATOM 349 CG2 THR A 25 11.061 10.032 2.097 1.00 0.00 C ATOM 0 H THR A 25 10.435 11.719 -0.965 1.00 0.00 H new ATOM 0 HA THR A 25 10.073 9.088 -1.088 1.00 0.00 H new ATOM 0 HB THR A 25 11.599 8.519 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.892 8.225 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.470 9.483 2.945 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.804 10.740 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.168 10.573 2.411 1.00 0.00 H new ATOM 357 N THR A 26 8.448 11.548 -0.027 1.00 0.00 N ATOM 358 CA THR A 26 7.140 12.085 0.268 1.00 0.00 C ATOM 359 C THR A 26 6.167 11.759 -0.846 1.00 0.00 C ATOM 360 O THR A 26 4.999 11.513 -0.605 1.00 0.00 O ATOM 361 CB THR A 26 7.215 13.592 0.455 1.00 0.00 C ATOM 362 OG1 THR A 26 7.895 14.173 -0.652 1.00 0.00 O ATOM 363 CG2 THR A 26 7.965 13.910 1.744 1.00 0.00 C ATOM 0 H THR A 26 9.132 12.238 -0.339 1.00 0.00 H new ATOM 0 HA THR A 26 6.786 11.628 1.192 1.00 0.00 H new ATOM 0 HB THR A 26 6.207 14.002 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.794 14.449 -0.376 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.018 14.991 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.440 13.466 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.974 13.501 1.688 1.00 0.00 H new ATOM 371 N ASN A 27 6.666 11.755 -2.064 1.00 0.00 N ATOM 372 CA ASN A 27 5.840 11.458 -3.220 1.00 0.00 C ATOM 373 C ASN A 27 5.260 10.071 -3.079 1.00 0.00 C ATOM 374 O ASN A 27 4.076 9.839 -3.315 1.00 0.00 O ATOM 375 CB ASN A 27 6.691 11.498 -4.480 1.00 0.00 C ATOM 376 CG ASN A 27 5.817 11.321 -5.717 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.330 11.251 -6.834 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.520 11.242 -5.587 1.00 0.00 N ATOM 0 H ASN A 27 7.642 11.954 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 27 5.041 12.196 -3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.224 12.447 -4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.444 10.711 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.931 11.122 -6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.096 11.300 -4.661 1.00 0.00 H new ATOM 385 N ASN A 28 6.120 9.157 -2.679 1.00 0.00 N ATOM 386 CA ASN A 28 5.720 7.775 -2.483 1.00 0.00 C ATOM 387 C ASN A 28 4.700 7.706 -1.357 1.00 0.00 C ATOM 388 O ASN A 28 3.694 7.005 -1.450 1.00 0.00 O ATOM 389 CB ASN A 28 6.944 6.933 -2.131 1.00 0.00 C ATOM 390 CG ASN A 28 8.032 7.132 -3.182 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.148 6.346 -4.120 1.00 0.00 O ATOM 392 ND2 ASN A 28 8.836 8.153 -3.083 1.00 0.00 N ATOM 0 H ASN A 28 7.103 9.345 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 28 5.275 7.386 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.320 7.216 -1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.668 5.880 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.562 8.300 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.739 8.805 -2.304 1.00 0.00 H new ATOM 399 N ARG A 29 4.967 8.471 -0.305 1.00 0.00 N ATOM 400 CA ARG A 29 4.087 8.541 0.831 1.00 0.00 C ATOM 401 C ARG A 29 2.787 9.218 0.418 1.00 0.00 C ATOM 402 O ARG A 29 1.703 8.811 0.830 1.00 0.00 O ATOM 403 CB ARG A 29 4.794 9.320 1.928 1.00 0.00 C ATOM 404 CG ARG A 29 3.947 9.350 3.171 1.00 0.00 C ATOM 405 CD ARG A 29 4.690 10.125 4.259 1.00 0.00 C ATOM 406 NE ARG A 29 3.859 10.225 5.444 1.00 0.00 N ATOM 407 CZ ARG A 29 4.362 10.603 6.617 1.00 0.00 C ATOM 408 NH1 ARG A 29 5.632 10.888 6.724 1.00 0.00 N ATOM 409 NH2 ARG A 29 3.586 10.691 7.664 1.00 0.00 N ATOM 0 H ARG A 29 5.800 9.055 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 29 3.843 7.546 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.758 8.861 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.994 10.337 1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.987 9.822 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.737 8.335 3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.626 9.623 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.947 11.121 3.898 1.00 0.00 H new ATOM 0 HE ARG A 29 2.866 10.000 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.240 10.821 5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.016 11.178 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.594 10.470 7.583 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.973 10.981 8.562 1.00 0.00 H new ATOM 423 N MET A 30 2.909 10.249 -0.415 1.00 0.00 N ATOM 424 CA MET A 30 1.746 10.969 -0.905 1.00 0.00 C ATOM 425 C MET A 30 0.914 10.050 -1.779 1.00 0.00 C ATOM 426 O MET A 30 -0.312 10.006 -1.673 1.00 0.00 O ATOM 427 CB MET A 30 2.227 12.180 -1.700 1.00 0.00 C ATOM 428 CG MET A 30 2.885 13.194 -0.747 1.00 0.00 C ATOM 429 SD MET A 30 1.691 14.476 -0.274 1.00 0.00 S ATOM 430 CE MET A 30 1.441 15.215 -1.907 1.00 0.00 C ATOM 0 H MET A 30 3.801 10.601 -0.762 1.00 0.00 H new ATOM 0 HA MET A 30 1.126 11.306 -0.074 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.940 11.867 -2.463 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.388 12.644 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.252 12.683 0.143 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.748 13.651 -1.231 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.327 16.294 -1.804 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.302 15.000 -2.539 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.543 14.797 -2.362 1.00 0.00 H new ATOM 440 N GLU A 31 1.597 9.278 -2.613 1.00 0.00 N ATOM 441 CA GLU A 31 0.916 8.322 -3.462 1.00 0.00 C ATOM 442 C GLU A 31 0.296 7.259 -2.577 1.00 0.00 C ATOM 443 O GLU A 31 -0.783 6.739 -2.860 1.00 0.00 O ATOM 444 CB GLU A 31 1.902 7.681 -4.441 1.00 0.00 C ATOM 445 CG GLU A 31 2.249 8.682 -5.545 1.00 0.00 C ATOM 446 CD GLU A 31 3.313 8.098 -6.469 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.699 6.961 -6.251 1.00 0.00 O ATOM 448 OE2 GLU A 31 3.724 8.795 -7.381 1.00 0.00 O ATOM 0 H GLU A 31 2.612 9.297 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 31 0.143 8.826 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.807 7.376 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.467 6.781 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.355 8.928 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.610 9.611 -5.104 1.00 0.00 H new ATOM 455 N LEU A 32 0.986 6.967 -1.480 1.00 0.00 N ATOM 456 CA LEU A 32 0.509 6.001 -0.527 1.00 0.00 C ATOM 457 C LEU A 32 -0.669 6.599 0.234 1.00 0.00 C ATOM 458 O LEU A 32 -1.646 5.918 0.534 1.00 0.00 O ATOM 459 CB LEU A 32 1.637 5.640 0.447 1.00 0.00 C ATOM 460 CG LEU A 32 1.230 4.418 1.294 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.521 3.114 0.537 1.00 0.00 C ATOM 462 CD2 LEU A 32 2.001 4.394 2.626 1.00 0.00 C ATOM 0 H LEU A 32 1.880 7.394 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 32 0.187 5.096 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.550 5.422 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.853 6.488 1.097 1.00 0.00 H new ATOM 0 HG LEU A 32 0.161 4.499 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.227 2.263 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.956 3.101 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.587 3.051 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.697 3.523 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.071 4.342 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.781 5.301 3.190 1.00 0.00 H new ATOM 474 N LYS A 33 -0.557 7.893 0.531 1.00 0.00 N ATOM 475 CA LYS A 33 -1.603 8.610 1.250 1.00 0.00 C ATOM 476 C LYS A 33 -2.891 8.600 0.438 1.00 0.00 C ATOM 477 O LYS A 33 -3.973 8.311 0.958 1.00 0.00 O ATOM 478 CB LYS A 33 -1.140 10.052 1.499 1.00 0.00 C ATOM 479 CG LYS A 33 -2.198 10.849 2.301 1.00 0.00 C ATOM 480 CD LYS A 33 -3.067 11.702 1.359 1.00 0.00 C ATOM 481 CE LYS A 33 -3.967 12.621 2.191 1.00 0.00 C ATOM 482 NZ LYS A 33 -4.930 13.323 1.295 1.00 0.00 N ATOM 0 H LYS A 33 0.250 8.465 0.283 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.795 8.122 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.196 10.045 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.954 10.547 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.830 10.161 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.702 11.492 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.434 12.295 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.674 11.058 0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.507 12.039 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.361 13.348 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.398 14.089 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.419 13.723 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.645 12.648 0.957 1.00 0.00 H new ATOM 496 N ALA A 34 -2.758 8.899 -0.847 1.00 0.00 N ATOM 497 CA ALA A 34 -3.906 8.908 -1.742 1.00 0.00 C ATOM 498 C ALA A 34 -4.485 7.503 -1.860 1.00 0.00 C ATOM 499 O ALA A 34 -5.681 7.327 -2.082 1.00 0.00 O ATOM 500 CB ALA A 34 -3.488 9.415 -3.124 1.00 0.00 C ATOM 0 H ALA A 34 -1.871 9.137 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.667 9.574 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.353 9.418 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.094 10.427 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.719 8.761 -3.534 1.00 0.00 H new ATOM 506 N ALA A 35 -3.617 6.508 -1.710 1.00 0.00 N ATOM 507 CA ALA A 35 -4.034 5.117 -1.800 1.00 0.00 C ATOM 508 C ALA A 35 -4.978 4.761 -0.658 1.00 0.00 C ATOM 509 O ALA A 35 -6.121 4.366 -0.893 1.00 0.00 O ATOM 510 CB ALA A 35 -2.810 4.200 -1.757 1.00 0.00 C ATOM 0 H ALA A 35 -2.623 6.640 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.560 4.978 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.131 3.161 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.152 4.432 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.273 4.353 -0.821 1.00 0.00 H new ATOM 516 N ILE A 36 -4.504 4.912 0.583 1.00 0.00 N ATOM 517 CA ILE A 36 -5.341 4.592 1.738 1.00 0.00 C ATOM 518 C ILE A 36 -6.683 5.296 1.576 1.00 0.00 C ATOM 519 O ILE A 36 -7.737 4.731 1.855 1.00 0.00 O ATOM 520 CB ILE A 36 -4.637 5.011 3.081 1.00 0.00 C ATOM 521 CG1 ILE A 36 -5.407 6.153 3.800 1.00 0.00 C ATOM 522 CG2 ILE A 36 -3.204 5.474 2.797 1.00 0.00 C ATOM 523 CD1 ILE A 36 -4.663 6.637 5.041 1.00 0.00 C ATOM 0 H ILE A 36 -3.567 5.246 0.809 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.500 3.515 1.787 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.628 4.138 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.549 6.986 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.399 5.801 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.723 5.763 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.643 4.661 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.225 6.329 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.231 7.436 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.544 5.809 5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.681 7.013 4.753 1.00 0.00 H new ATOM 535 N GLU A 37 -6.615 6.538 1.120 1.00 0.00 N ATOM 536 CA GLU A 37 -7.787 7.338 0.918 1.00 0.00 C ATOM 537 C GLU A 37 -8.582 6.819 -0.278 1.00 0.00 C ATOM 538 O GLU A 37 -9.812 6.798 -0.257 1.00 0.00 O ATOM 539 CB GLU A 37 -7.327 8.794 0.731 1.00 0.00 C ATOM 540 CG GLU A 37 -8.360 9.574 -0.056 1.00 0.00 C ATOM 541 CD GLU A 37 -8.062 11.067 -0.005 1.00 0.00 C ATOM 542 OE1 GLU A 37 -6.941 11.418 0.323 1.00 0.00 O ATOM 543 OE2 GLU A 37 -8.959 11.838 -0.302 1.00 0.00 O ATOM 0 H GLU A 37 -5.741 7.008 0.883 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.457 7.284 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.172 9.261 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.370 8.816 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.367 9.235 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.354 9.382 0.349 1.00 0.00 H new ATOM 550 N GLY A 38 -7.876 6.412 -1.318 1.00 0.00 N ATOM 551 CA GLY A 38 -8.539 5.914 -2.512 1.00 0.00 C ATOM 552 C GLY A 38 -9.145 4.537 -2.283 1.00 0.00 C ATOM 553 O GLY A 38 -9.782 3.979 -3.172 1.00 0.00 O ATOM 0 H GLY A 38 -6.857 6.415 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.321 6.611 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.823 5.865 -3.333 1.00 0.00 H new ATOM 557 N LEU A 39 -8.930 3.981 -1.091 1.00 0.00 N ATOM 558 CA LEU A 39 -9.454 2.658 -0.763 1.00 0.00 C ATOM 559 C LEU A 39 -10.305 2.735 0.503 1.00 0.00 C ATOM 560 O LEU A 39 -11.140 1.868 0.759 1.00 0.00 O ATOM 561 CB LEU A 39 -8.293 1.673 -0.538 1.00 0.00 C ATOM 562 CG LEU A 39 -7.215 1.769 -1.671 1.00 0.00 C ATOM 563 CD1 LEU A 39 -5.788 1.650 -1.096 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.404 0.632 -2.690 1.00 0.00 C ATOM 0 H LEU A 39 -8.399 4.424 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.069 2.308 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.826 1.877 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.683 0.656 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.341 2.740 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.062 1.720 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.615 2.456 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.678 0.690 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.647 0.713 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.303 -0.329 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.395 0.705 -3.137 1.00 0.00 H new ATOM 576 N LYS A 40 -10.080 3.783 1.288 1.00 0.00 N ATOM 577 CA LYS A 40 -10.807 3.996 2.526 1.00 0.00 C ATOM 578 C LYS A 40 -11.952 4.970 2.290 1.00 0.00 C ATOM 579 O LYS A 40 -12.978 4.918 2.970 1.00 0.00 O ATOM 580 CB LYS A 40 -9.838 4.592 3.551 1.00 0.00 C ATOM 581 CG LYS A 40 -10.520 4.806 4.920 1.00 0.00 C ATOM 582 CD LYS A 40 -9.894 6.026 5.603 1.00 0.00 C ATOM 583 CE LYS A 40 -10.547 6.253 6.970 1.00 0.00 C ATOM 584 NZ LYS A 40 -9.937 7.449 7.620 1.00 0.00 N ATOM 0 H LYS A 40 -9.390 4.505 1.081 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.215 3.052 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.981 3.929 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.456 5.544 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.591 4.957 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.398 3.921 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.821 5.875 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.023 6.909 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.621 6.398 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.411 5.374 7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.380 7.604 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.916 7.293 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.089 8.285 7.021 1.00 0.00 H new ATOM 598 N ALA A 41 -11.769 5.874 1.333 1.00 0.00 N ATOM 599 CA ALA A 41 -12.804 6.873 1.052 1.00 0.00 C ATOM 600 C ALA A 41 -13.844 6.338 0.080 1.00 0.00 C ATOM 601 O ALA A 41 -14.687 7.086 -0.413 1.00 0.00 O ATOM 602 CB ALA A 41 -12.166 8.150 0.506 1.00 0.00 C ATOM 0 H ALA A 41 -10.935 5.939 0.749 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.315 7.103 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.943 8.886 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.471 8.553 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.628 7.923 -0.415 1.00 0.00 H new ATOM 608 N LEU A 42 -13.776 5.039 -0.195 1.00 0.00 N ATOM 609 CA LEU A 42 -14.714 4.396 -1.119 1.00 0.00 C ATOM 610 C LEU A 42 -15.516 3.298 -0.418 1.00 0.00 C ATOM 611 O LEU A 42 -16.746 3.332 -0.406 1.00 0.00 O ATOM 612 CB LEU A 42 -13.915 3.800 -2.301 1.00 0.00 C ATOM 613 CG LEU A 42 -13.740 4.858 -3.444 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.299 4.844 -3.966 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.691 4.571 -4.625 1.00 0.00 C ATOM 0 H LEU A 42 -13.083 4.408 0.207 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.423 5.140 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.937 3.468 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.431 2.921 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.978 5.834 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.192 5.584 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.615 5.084 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.064 3.855 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.545 5.323 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.477 3.583 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.723 4.605 -4.277 1.00 0.00 H new ATOM 627 N LYS A 43 -14.801 2.317 0.125 1.00 0.00 N ATOM 628 CA LYS A 43 -15.418 1.185 0.802 1.00 0.00 C ATOM 629 C LYS A 43 -16.294 0.421 -0.165 1.00 0.00 C ATOM 630 O LYS A 43 -17.151 -0.366 0.233 1.00 0.00 O ATOM 631 CB LYS A 43 -16.227 1.681 2.007 1.00 0.00 C ATOM 632 CG LYS A 43 -15.269 2.046 3.167 1.00 0.00 C ATOM 633 CD LYS A 43 -15.829 3.228 3.971 1.00 0.00 C ATOM 634 CE LYS A 43 -14.918 3.507 5.167 1.00 0.00 C ATOM 635 NZ LYS A 43 -15.436 4.682 5.922 1.00 0.00 N ATOM 0 H LYS A 43 -13.782 2.286 0.107 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.643 0.509 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.820 2.551 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.926 0.910 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.134 1.184 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.287 2.301 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.897 4.113 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.839 3.003 4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.876 2.633 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.901 3.700 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.817 4.872 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.454 5.514 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.399 4.481 6.259 1.00 0.00 H new ATOM 649 N GLU A 44 -16.050 0.662 -1.446 1.00 0.00 N ATOM 650 CA GLU A 44 -16.786 0.001 -2.513 1.00 0.00 C ATOM 651 C GLU A 44 -15.894 -1.082 -3.143 1.00 0.00 C ATOM 652 O GLU A 44 -15.033 -0.763 -3.964 1.00 0.00 O ATOM 653 CB GLU A 44 -17.180 1.047 -3.576 1.00 0.00 C ATOM 654 CG GLU A 44 -18.544 1.662 -3.233 1.00 0.00 C ATOM 655 CD GLU A 44 -19.650 0.643 -3.485 1.00 0.00 C ATOM 656 OE1 GLU A 44 -19.855 0.295 -4.636 1.00 0.00 O ATOM 657 OE2 GLU A 44 -20.274 0.225 -2.524 1.00 0.00 O ATOM 0 H GLU A 44 -15.340 1.318 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.688 -0.464 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.422 1.829 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.221 0.579 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.559 1.977 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.714 2.553 -3.838 1.00 0.00 H new ATOM 664 N PRO A 45 -16.051 -2.341 -2.782 1.00 0.00 N ATOM 665 CA PRO A 45 -15.201 -3.430 -3.346 1.00 0.00 C ATOM 666 C PRO A 45 -14.998 -3.270 -4.849 1.00 0.00 C ATOM 667 O PRO A 45 -15.914 -3.511 -5.637 1.00 0.00 O ATOM 668 CB PRO A 45 -15.989 -4.701 -3.014 1.00 0.00 C ATOM 669 CG PRO A 45 -16.710 -4.372 -1.747 1.00 0.00 C ATOM 670 CD PRO A 45 -17.038 -2.875 -1.819 1.00 0.00 C ATOM 0 HA PRO A 45 -14.193 -3.435 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.686 -4.956 -3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.326 -5.556 -2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.619 -4.966 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -16.091 -4.594 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -18.060 -2.706 -2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.943 -2.398 -0.844 1.00 0.00 H new ATOM 678 N ALA A 46 -13.799 -2.837 -5.240 1.00 0.00 N ATOM 679 CA ALA A 46 -13.501 -2.617 -6.663 1.00 0.00 C ATOM 680 C ALA A 46 -12.075 -3.028 -7.039 1.00 0.00 C ATOM 681 O ALA A 46 -11.166 -3.009 -6.210 1.00 0.00 O ATOM 682 CB ALA A 46 -13.751 -1.138 -6.988 1.00 0.00 C ATOM 0 H ALA A 46 -13.027 -2.633 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.159 -3.252 -7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.535 -0.955 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.793 -0.892 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.103 -0.515 -6.371 1.00 0.00 H new ATOM 688 N GLU A 47 -11.898 -3.398 -8.319 1.00 0.00 N ATOM 689 CA GLU A 47 -10.586 -3.812 -8.823 1.00 0.00 C ATOM 690 C GLU A 47 -9.814 -2.583 -9.272 1.00 0.00 C ATOM 691 O GLU A 47 -9.819 -2.225 -10.433 1.00 0.00 O ATOM 692 CB GLU A 47 -10.761 -4.769 -10.007 1.00 0.00 C ATOM 693 CG GLU A 47 -11.376 -6.082 -9.527 1.00 0.00 C ATOM 694 CD GLU A 47 -10.325 -6.923 -8.818 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.191 -6.479 -8.744 1.00 0.00 O ATOM 696 OE2 GLU A 47 -10.667 -8.002 -8.366 1.00 0.00 O ATOM 0 H GLU A 47 -12.643 -3.418 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.038 -4.323 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.400 -4.313 -10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.796 -4.960 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.206 -5.878 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.783 -6.633 -10.375 1.00 0.00 H new ATOM 703 N VAL A 48 -9.161 -1.923 -8.353 1.00 0.00 N ATOM 704 CA VAL A 48 -8.433 -0.720 -8.697 1.00 0.00 C ATOM 705 C VAL A 48 -7.077 -1.037 -9.293 1.00 0.00 C ATOM 706 O VAL A 48 -6.152 -1.445 -8.589 1.00 0.00 O ATOM 707 CB VAL A 48 -8.218 0.122 -7.437 1.00 0.00 C ATOM 708 CG1 VAL A 48 -7.884 1.586 -7.796 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.468 0.064 -6.536 1.00 0.00 C ATOM 0 H VAL A 48 -9.115 -2.190 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.023 -0.177 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.370 -0.294 -6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.737 2.160 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.973 1.615 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.706 2.017 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.301 0.667 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.328 0.453 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.659 -0.969 -6.245 1.00 0.00 H new ATOM 719 N ASP A 49 -6.952 -0.795 -10.580 1.00 0.00 N ATOM 720 CA ASP A 49 -5.678 -1.006 -11.243 1.00 0.00 C ATOM 721 C ASP A 49 -4.744 0.127 -10.858 1.00 0.00 C ATOM 722 O ASP A 49 -4.401 0.983 -11.672 1.00 0.00 O ATOM 723 CB ASP A 49 -5.851 -1.075 -12.761 1.00 0.00 C ATOM 724 CG ASP A 49 -4.541 -1.509 -13.416 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.504 -1.315 -12.804 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.597 -2.030 -14.518 1.00 0.00 O ATOM 0 H ASP A 49 -7.702 -0.457 -11.183 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.255 -1.959 -10.925 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.644 -1.779 -13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.155 -0.101 -13.146 1.00 0.00 H new ATOM 731 N LEU A 50 -4.362 0.121 -9.586 1.00 0.00 N ATOM 732 CA LEU A 50 -3.492 1.146 -9.043 1.00 0.00 C ATOM 733 C LEU A 50 -2.128 1.104 -9.715 1.00 0.00 C ATOM 734 O LEU A 50 -1.319 0.221 -9.429 1.00 0.00 O ATOM 735 CB LEU A 50 -3.321 0.921 -7.523 1.00 0.00 C ATOM 736 CG LEU A 50 -2.922 2.237 -6.823 1.00 0.00 C ATOM 737 CD1 LEU A 50 -3.060 2.105 -5.295 1.00 0.00 C ATOM 738 CD2 LEU A 50 -1.475 2.607 -7.179 1.00 0.00 C ATOM 0 H LEU A 50 -4.646 -0.589 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.943 2.121 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.251 0.544 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.559 0.162 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.592 3.024 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.774 3.044 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.094 1.871 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.410 1.306 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.204 3.537 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.805 1.811 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.387 2.735 -8.258 1.00 0.00 H new ATOM 750 N TYR A 51 -1.856 2.074 -10.588 1.00 0.00 N ATOM 751 CA TYR A 51 -0.554 2.126 -11.249 1.00 0.00 C ATOM 752 C TYR A 51 0.395 2.967 -10.394 1.00 0.00 C ATOM 753 O TYR A 51 0.237 4.182 -10.306 1.00 0.00 O ATOM 754 CB TYR A 51 -0.656 2.742 -12.650 1.00 0.00 C ATOM 755 CG TYR A 51 -1.886 2.230 -13.364 1.00 0.00 C ATOM 756 CD1 TYR A 51 -1.818 1.060 -14.134 1.00 0.00 C ATOM 757 CD2 TYR A 51 -3.095 2.925 -13.262 1.00 0.00 C ATOM 758 CE1 TYR A 51 -2.955 0.590 -14.797 1.00 0.00 C ATOM 759 CE2 TYR A 51 -4.228 2.456 -13.927 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.161 1.289 -14.695 1.00 0.00 C ATOM 761 OH TYR A 51 -5.285 0.825 -15.347 1.00 0.00 O ATOM 0 H TYR A 51 -2.503 2.818 -10.849 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.179 1.108 -11.358 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.698 3.829 -12.574 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.235 2.497 -13.227 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.885 0.521 -14.215 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.152 3.825 -12.668 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.902 -0.313 -15.388 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.160 2.996 -13.849 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.172 -0.125 -15.558 1.00 0.00 H new ATOM 771 N THR A 52 1.362 2.316 -9.740 1.00 0.00 N ATOM 772 CA THR A 52 2.308 3.020 -8.862 1.00 0.00 C ATOM 773 C THR A 52 3.745 2.874 -9.351 1.00 0.00 C ATOM 774 O THR A 52 4.330 1.797 -9.285 1.00 0.00 O ATOM 775 CB THR A 52 2.203 2.456 -7.438 1.00 0.00 C ATOM 776 OG1 THR A 52 3.384 2.776 -6.715 1.00 0.00 O ATOM 777 CG2 THR A 52 2.031 0.935 -7.491 1.00 0.00 C ATOM 0 H THR A 52 1.512 1.309 -9.800 1.00 0.00 H new ATOM 0 HA THR A 52 2.049 4.079 -8.873 1.00 0.00 H new ATOM 0 HB THR A 52 1.339 2.896 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.904 1.960 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.957 0.542 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.123 0.691 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.890 0.489 -7.992 1.00 0.00 H new ATOM 785 N ASP A 53 4.321 3.975 -9.821 1.00 0.00 N ATOM 786 CA ASP A 53 5.701 3.964 -10.302 1.00 0.00 C ATOM 787 C ASP A 53 6.645 4.410 -9.190 1.00 0.00 C ATOM 788 O ASP A 53 7.596 5.156 -9.428 1.00 0.00 O ATOM 789 CB ASP A 53 5.839 4.909 -11.501 1.00 0.00 C ATOM 790 CG ASP A 53 5.702 6.360 -11.046 1.00 0.00 C ATOM 791 OD1 ASP A 53 5.240 6.571 -9.938 1.00 0.00 O ATOM 792 OD2 ASP A 53 6.057 7.238 -11.816 1.00 0.00 O ATOM 0 H ASP A 53 3.859 4.882 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 53 5.961 2.950 -10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.806 4.760 -11.981 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.075 4.679 -12.244 1.00 0.00 H new ATOM 797 N SER A 54 6.373 3.945 -7.971 1.00 0.00 N ATOM 798 CA SER A 54 7.201 4.293 -6.810 1.00 0.00 C ATOM 799 C SER A 54 8.159 3.156 -6.467 1.00 0.00 C ATOM 800 O SER A 54 7.920 1.998 -6.811 1.00 0.00 O ATOM 801 CB SER A 54 6.307 4.609 -5.610 1.00 0.00 C ATOM 802 OG SER A 54 5.823 5.941 -5.721 1.00 0.00 O ATOM 0 H SER A 54 5.589 3.328 -7.759 1.00 0.00 H new ATOM 0 HA SER A 54 7.793 5.174 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.472 3.909 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.868 4.490 -4.683 1.00 0.00 H new ATOM 0 HG SER A 54 4.897 5.927 -6.041 1.00 0.00 H new ATOM 808 N HIS A 55 9.255 3.507 -5.792 1.00 0.00 N ATOM 809 CA HIS A 55 10.272 2.526 -5.408 1.00 0.00 C ATOM 810 C HIS A 55 10.052 2.010 -3.991 1.00 0.00 C ATOM 811 O HIS A 55 10.889 1.289 -3.453 1.00 0.00 O ATOM 812 CB HIS A 55 11.662 3.163 -5.507 1.00 0.00 C ATOM 813 CG HIS A 55 12.047 3.318 -6.953 1.00 0.00 C ATOM 814 ND1 HIS A 55 11.660 4.413 -7.709 1.00 0.00 N ATOM 815 CD2 HIS A 55 12.781 2.521 -7.795 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.158 4.246 -8.947 1.00 0.00 C ATOM 817 NE2 HIS A 55 12.851 3.108 -9.054 1.00 0.00 N ATOM 0 H HIS A 55 9.461 4.462 -5.500 1.00 0.00 H new ATOM 0 HA HIS A 55 10.195 1.680 -6.091 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.663 4.135 -5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.394 2.543 -4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.236 1.580 -7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.015 4.946 -9.757 1.00 0.00 H new ATOM 0 HE2 HIS A 55 13.328 2.748 -9.880 1.00 0.00 H new ATOM 825 N TYR A 56 8.929 2.387 -3.391 1.00 0.00 N ATOM 826 CA TYR A 56 8.608 1.956 -2.021 1.00 0.00 C ATOM 827 C TYR A 56 7.398 1.033 -2.017 1.00 0.00 C ATOM 828 O TYR A 56 7.418 -0.035 -1.407 1.00 0.00 O ATOM 829 CB TYR A 56 8.323 3.189 -1.153 1.00 0.00 C ATOM 830 CG TYR A 56 7.861 2.802 0.255 1.00 0.00 C ATOM 831 CD1 TYR A 56 8.531 1.813 1.010 1.00 0.00 C ATOM 832 CD2 TYR A 56 6.747 3.453 0.816 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.083 1.489 2.297 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.308 3.121 2.102 1.00 0.00 C ATOM 835 CZ TYR A 56 6.975 2.141 2.841 1.00 0.00 C ATOM 836 OH TYR A 56 6.539 1.815 4.108 1.00 0.00 O ATOM 0 H TYR A 56 8.225 2.986 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 56 9.459 1.409 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.223 3.801 -1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.558 3.800 -1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.389 1.306 0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.228 4.213 0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.597 0.732 2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.451 3.624 2.525 1.00 0.00 H new ATOM 0 HH TYR A 56 5.754 1.232 4.044 1.00 0.00 H new ATOM 846 N LEU A 57 6.348 1.454 -2.704 1.00 0.00 N ATOM 847 CA LEU A 57 5.132 0.671 -2.786 1.00 0.00 C ATOM 848 C LEU A 57 5.416 -0.662 -3.480 1.00 0.00 C ATOM 849 O LEU A 57 4.953 -1.724 -3.052 1.00 0.00 O ATOM 850 CB LEU A 57 4.108 1.458 -3.606 1.00 0.00 C ATOM 851 CG LEU A 57 3.485 2.588 -2.763 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.553 3.648 -2.448 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.342 3.236 -3.554 1.00 0.00 C ATOM 0 H LEU A 57 6.317 2.337 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 57 4.750 0.474 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.589 1.879 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.325 0.787 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 57 3.100 2.176 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.109 4.446 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.368 3.188 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.940 4.063 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.898 4.036 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.731 3.647 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.583 2.486 -3.778 1.00 0.00 H new ATOM 865 N LYS A 58 6.194 -0.582 -4.554 1.00 0.00 N ATOM 866 CA LYS A 58 6.565 -1.759 -5.330 1.00 0.00 C ATOM 867 C LYS A 58 7.507 -2.634 -4.526 1.00 0.00 C ATOM 868 O LYS A 58 7.250 -3.814 -4.302 1.00 0.00 O ATOM 869 CB LYS A 58 7.263 -1.293 -6.611 1.00 0.00 C ATOM 870 CG LYS A 58 7.740 -2.487 -7.450 1.00 0.00 C ATOM 871 CD LYS A 58 8.668 -1.971 -8.541 1.00 0.00 C ATOM 872 CE LYS A 58 9.109 -3.141 -9.421 1.00 0.00 C ATOM 873 NZ LYS A 58 10.110 -2.671 -10.417 1.00 0.00 N ATOM 0 H LYS A 58 6.582 0.292 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 58 5.674 -2.338 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.578 -0.682 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.114 -0.662 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.260 -3.209 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.888 -3.005 -7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.158 -1.219 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.538 -1.487 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.539 -3.931 -8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.247 -3.569 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.458 -3.481 -10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.666 -1.982 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.907 -2.221 -9.923 1.00 0.00 H new ATOM 887 N LYS A 59 8.599 -2.027 -4.099 1.00 0.00 N ATOM 888 CA LYS A 59 9.609 -2.715 -3.318 1.00 0.00 C ATOM 889 C LYS A 59 8.971 -3.640 -2.288 1.00 0.00 C ATOM 890 O LYS A 59 9.355 -4.798 -2.162 1.00 0.00 O ATOM 891 CB LYS A 59 10.437 -1.641 -2.612 1.00 0.00 C ATOM 892 CG LYS A 59 11.496 -2.253 -1.680 1.00 0.00 C ATOM 893 CD LYS A 59 12.166 -1.118 -0.859 1.00 0.00 C ATOM 894 CE LYS A 59 11.732 -1.209 0.612 1.00 0.00 C ATOM 895 NZ LYS A 59 12.240 -0.022 1.358 1.00 0.00 N ATOM 0 H LYS A 59 8.810 -1.046 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 59 10.230 -3.332 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.928 -1.013 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.776 -0.994 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.034 -2.979 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.245 -2.789 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.251 -1.196 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.888 -0.147 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.645 -1.255 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.118 -2.125 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.945 -0.085 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.278 0.003 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.851 0.846 0.936 1.00 0.00 H new ATOM 909 N ALA A 60 8.013 -3.117 -1.544 1.00 0.00 N ATOM 910 CA ALA A 60 7.353 -3.909 -0.513 1.00 0.00 C ATOM 911 C ALA A 60 6.512 -5.032 -1.111 1.00 0.00 C ATOM 912 O ALA A 60 6.785 -6.211 -0.892 1.00 0.00 O ATOM 913 CB ALA A 60 6.456 -3.006 0.334 1.00 0.00 C ATOM 0 H ALA A 60 7.675 -2.158 -1.630 1.00 0.00 H new ATOM 0 HA ALA A 60 8.130 -4.359 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.964 -3.601 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.061 -2.231 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.703 -2.541 -0.302 1.00 0.00 H new ATOM 919 N PHE A 61 5.467 -4.649 -1.827 1.00 0.00 N ATOM 920 CA PHE A 61 4.544 -5.608 -2.414 1.00 0.00 C ATOM 921 C PHE A 61 5.276 -6.649 -3.277 1.00 0.00 C ATOM 922 O PHE A 61 5.003 -7.845 -3.171 1.00 0.00 O ATOM 923 CB PHE A 61 3.530 -4.829 -3.278 1.00 0.00 C ATOM 924 CG PHE A 61 2.165 -5.475 -3.190 1.00 0.00 C ATOM 925 CD1 PHE A 61 1.870 -6.639 -3.916 1.00 0.00 C ATOM 926 CD2 PHE A 61 1.195 -4.905 -2.359 1.00 0.00 C ATOM 927 CE1 PHE A 61 0.603 -7.225 -3.807 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.068 -5.492 -2.250 1.00 0.00 C ATOM 929 CZ PHE A 61 -0.365 -6.653 -2.973 1.00 0.00 C ATOM 0 H PHE A 61 5.236 -3.674 -2.017 1.00 0.00 H new ATOM 0 HA PHE A 61 4.039 -6.150 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.473 -3.794 -2.941 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.865 -4.808 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.618 -7.082 -4.557 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.423 -4.009 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.372 -8.119 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.815 -5.050 -1.608 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.341 -7.108 -2.887 1.00 0.00 H new ATOM 939 N THR A 62 6.190 -6.197 -4.135 1.00 0.00 N ATOM 940 CA THR A 62 6.921 -7.120 -5.005 1.00 0.00 C ATOM 941 C THR A 62 7.772 -8.086 -4.186 1.00 0.00 C ATOM 942 O THR A 62 8.026 -9.212 -4.614 1.00 0.00 O ATOM 943 CB THR A 62 7.808 -6.353 -5.991 1.00 0.00 C ATOM 944 OG1 THR A 62 8.621 -5.428 -5.283 1.00 0.00 O ATOM 945 CG2 THR A 62 6.931 -5.608 -7.002 1.00 0.00 C ATOM 0 H THR A 62 6.440 -5.214 -4.247 1.00 0.00 H new ATOM 0 HA THR A 62 6.185 -7.695 -5.568 1.00 0.00 H new ATOM 0 HB THR A 62 8.448 -7.057 -6.523 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.059 -4.885 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.565 -5.063 -7.702 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.318 -6.324 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.285 -4.905 -6.475 1.00 0.00 H new ATOM 953 N GLU A 63 8.190 -7.655 -3.002 1.00 0.00 N ATOM 954 CA GLU A 63 8.987 -8.513 -2.126 1.00 0.00 C ATOM 955 C GLU A 63 8.068 -9.465 -1.367 1.00 0.00 C ATOM 956 O GLU A 63 8.525 -10.390 -0.693 1.00 0.00 O ATOM 957 CB GLU A 63 9.805 -7.662 -1.152 1.00 0.00 C ATOM 958 CG GLU A 63 11.010 -7.064 -1.888 1.00 0.00 C ATOM 959 CD GLU A 63 11.711 -6.040 -1.004 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.018 -5.242 -0.397 1.00 0.00 O ATOM 961 OE2 GLU A 63 12.929 -6.064 -0.954 1.00 0.00 O ATOM 0 H GLU A 63 7.994 -6.727 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 63 9.679 -9.099 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.186 -6.866 -0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.142 -8.272 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.707 -7.856 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.682 -6.592 -2.814 1.00 0.00 H new ATOM 968 N GLY A 64 6.768 -9.236 -1.508 1.00 0.00 N ATOM 969 CA GLY A 64 5.760 -10.072 -0.867 1.00 0.00 C ATOM 970 C GLY A 64 6.080 -10.358 0.598 1.00 0.00 C ATOM 971 O GLY A 64 5.449 -11.217 1.211 1.00 0.00 O ATOM 0 H GLY A 64 6.385 -8.472 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.789 -9.580 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.678 -11.015 -1.408 1.00 0.00 H new ATOM 975 N TRP A 65 7.050 -9.642 1.167 1.00 0.00 N ATOM 976 CA TRP A 65 7.400 -9.858 2.568 1.00 0.00 C ATOM 977 C TRP A 65 6.417 -9.140 3.483 1.00 0.00 C ATOM 978 O TRP A 65 6.614 -9.064 4.697 1.00 0.00 O ATOM 979 CB TRP A 65 8.854 -9.438 2.857 1.00 0.00 C ATOM 980 CG TRP A 65 9.135 -7.967 2.620 1.00 0.00 C ATOM 981 CD1 TRP A 65 8.230 -6.950 2.485 1.00 0.00 C ATOM 982 CD2 TRP A 65 10.448 -7.338 2.503 1.00 0.00 C ATOM 983 NE1 TRP A 65 8.918 -5.762 2.312 1.00 0.00 N ATOM 984 CE2 TRP A 65 10.276 -5.949 2.311 1.00 0.00 C ATOM 985 CE3 TRP A 65 11.764 -7.838 2.549 1.00 0.00 C ATOM 986 CZ2 TRP A 65 11.358 -5.086 2.171 1.00 0.00 C ATOM 987 CZ3 TRP A 65 12.860 -6.969 2.404 1.00 0.00 C ATOM 988 CH2 TRP A 65 12.655 -5.595 2.215 1.00 0.00 C ATOM 0 H TRP A 65 7.596 -8.923 0.691 1.00 0.00 H new ATOM 0 HA TRP A 65 7.330 -10.926 2.773 1.00 0.00 H new ATOM 0 HB2 TRP A 65 9.091 -9.679 3.893 1.00 0.00 H new ATOM 0 HB3 TRP A 65 9.522 -10.029 2.231 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.156 -7.057 2.509 1.00 0.00 H new ATOM 0 HE1 TRP A 65 8.468 -4.854 2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 65 11.932 -8.895 2.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.194 -4.028 2.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 13.865 -7.362 2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 65 13.500 -4.932 2.104 1.00 0.00 H new ATOM 999 N LEU A 66 5.353 -8.619 2.874 1.00 0.00 N ATOM 1000 CA LEU A 66 4.320 -7.904 3.613 1.00 0.00 C ATOM 1001 C LEU A 66 3.690 -8.878 4.615 1.00 0.00 C ATOM 1002 O LEU A 66 3.304 -8.522 5.732 1.00 0.00 O ATOM 1003 CB LEU A 66 3.270 -7.347 2.621 1.00 0.00 C ATOM 1004 CG LEU A 66 2.687 -6.016 3.143 1.00 0.00 C ATOM 1005 CD1 LEU A 66 1.757 -5.374 2.095 1.00 0.00 C ATOM 1006 CD2 LEU A 66 1.915 -6.259 4.444 1.00 0.00 C ATOM 0 H LEU A 66 5.186 -8.680 1.870 1.00 0.00 H new ATOM 0 HA LEU A 66 4.740 -7.059 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.729 -7.192 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.469 -8.073 2.484 1.00 0.00 H new ATOM 0 HG LEU A 66 3.514 -5.332 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.359 -4.438 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.319 -5.176 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.934 -6.054 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.507 -5.316 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.101 -6.960 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.588 -6.675 5.194 1.00 0.00 H new ATOM 1018 N GLU A 67 3.629 -10.132 4.221 1.00 0.00 N ATOM 1019 CA GLU A 67 3.109 -11.144 5.110 1.00 0.00 C ATOM 1020 C GLU A 67 4.073 -11.252 6.291 1.00 0.00 C ATOM 1021 O GLU A 67 3.673 -11.212 7.462 1.00 0.00 O ATOM 1022 CB GLU A 67 2.981 -12.478 4.348 1.00 0.00 C ATOM 1023 CG GLU A 67 3.260 -13.664 5.276 1.00 0.00 C ATOM 1024 CD GLU A 67 2.823 -14.966 4.616 1.00 0.00 C ATOM 1025 OE1 GLU A 67 3.066 -15.116 3.431 1.00 0.00 O ATOM 1026 OE2 GLU A 67 2.253 -15.794 5.308 1.00 0.00 O ATOM 0 H GLU A 67 3.928 -10.470 3.306 1.00 0.00 H new ATOM 0 HA GLU A 67 2.116 -10.887 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.979 -12.567 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.680 -12.493 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.323 -13.707 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.729 -13.530 6.218 1.00 0.00 H new ATOM 1033 N GLY A 68 5.354 -11.360 5.962 1.00 0.00 N ATOM 1034 CA GLY A 68 6.370 -11.446 6.986 1.00 0.00 C ATOM 1035 C GLY A 68 6.251 -10.240 7.893 1.00 0.00 C ATOM 1036 O GLY A 68 6.298 -10.369 9.113 1.00 0.00 O ATOM 0 H GLY A 68 5.705 -11.389 5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.250 -12.364 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.361 -11.481 6.533 1.00 0.00 H new ATOM 1040 N TRP A 69 6.061 -9.061 7.287 1.00 0.00 N ATOM 1041 CA TRP A 69 5.915 -7.839 8.070 1.00 0.00 C ATOM 1042 C TRP A 69 5.009 -8.119 9.269 1.00 0.00 C ATOM 1043 O TRP A 69 5.404 -7.914 10.411 1.00 0.00 O ATOM 1044 CB TRP A 69 5.319 -6.705 7.217 1.00 0.00 C ATOM 1045 CG TRP A 69 6.385 -5.897 6.547 1.00 0.00 C ATOM 1046 CD1 TRP A 69 7.660 -6.287 6.287 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.255 -4.555 6.028 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.319 -5.245 5.660 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.489 -4.157 5.472 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.185 -3.654 5.997 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 7.654 -2.898 4.899 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.341 -2.390 5.423 1.00 0.00 C ATOM 1053 CH2 TRP A 69 6.575 -2.008 4.873 1.00 0.00 C ATOM 0 H TRP A 69 6.006 -8.933 6.277 1.00 0.00 H new ATOM 0 HA TRP A 69 6.900 -7.521 8.413 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.655 -7.127 6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.713 -6.055 7.848 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.087 -7.249 6.529 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.297 -5.276 5.372 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.232 -3.938 6.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.607 -2.612 4.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.508 -1.703 5.402 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.691 -1.029 4.431 1.00 0.00 H new ATOM 1064 N ARG A 70 3.809 -8.623 9.001 1.00 0.00 N ATOM 1065 CA ARG A 70 2.867 -8.932 10.084 1.00 0.00 C ATOM 1066 C ARG A 70 3.504 -9.841 11.127 1.00 0.00 C ATOM 1067 O ARG A 70 3.338 -9.630 12.329 1.00 0.00 O ATOM 1068 CB ARG A 70 1.643 -9.636 9.516 1.00 0.00 C ATOM 1069 CG ARG A 70 0.818 -8.654 8.679 1.00 0.00 C ATOM 1070 CD ARG A 70 -0.314 -9.412 7.996 1.00 0.00 C ATOM 1071 NE ARG A 70 0.242 -10.380 7.057 1.00 0.00 N ATOM 1072 CZ ARG A 70 -0.535 -11.266 6.442 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -1.825 -11.248 6.643 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -0.015 -12.151 5.637 1.00 0.00 N ATOM 0 H ARG A 70 3.465 -8.825 8.062 1.00 0.00 H new ATOM 0 HA ARG A 70 2.584 -7.991 10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.952 -10.481 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.034 -10.037 10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.414 -7.866 9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.450 -8.171 7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.925 -9.922 8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.967 -8.715 7.471 1.00 0.00 H new ATOM 0 HE ARG A 70 1.245 -10.377 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.234 -10.555 7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.424 -11.926 6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.992 -12.165 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.616 -12.829 5.168 1.00 0.00 H new ATOM 1088 N LYS A 71 4.223 -10.852 10.669 1.00 0.00 N ATOM 1089 CA LYS A 71 4.871 -11.785 11.597 1.00 0.00 C ATOM 1090 C LYS A 71 6.179 -11.193 12.120 1.00 0.00 C ATOM 1091 O LYS A 71 6.816 -11.753 13.012 1.00 0.00 O ATOM 1092 CB LYS A 71 5.139 -13.123 10.893 1.00 0.00 C ATOM 1093 CG LYS A 71 3.851 -13.951 10.828 1.00 0.00 C ATOM 1094 CD LYS A 71 2.826 -13.247 9.934 1.00 0.00 C ATOM 1095 CE LYS A 71 1.691 -14.213 9.595 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.963 -14.584 10.840 1.00 0.00 N ATOM 0 H LYS A 71 4.376 -11.052 9.681 1.00 0.00 H new ATOM 0 HA LYS A 71 4.206 -11.957 12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.517 -12.944 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.910 -13.677 11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.066 -14.945 10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.443 -14.084 11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.429 -12.368 10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.305 -12.898 9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.006 -13.750 8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.091 -15.106 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.095 -15.101 10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.570 -15.188 11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.715 -13.722 11.367 1.00 0.00 H new ATOM 1110 N ARG A 72 6.572 -10.067 11.542 1.00 0.00 N ATOM 1111 CA ARG A 72 7.811 -9.384 11.913 1.00 0.00 C ATOM 1112 C ARG A 72 7.555 -8.243 12.888 1.00 0.00 C ATOM 1113 O ARG A 72 8.447 -7.441 13.166 1.00 0.00 O ATOM 1114 CB ARG A 72 8.421 -8.826 10.638 1.00 0.00 C ATOM 1115 CG ARG A 72 9.126 -9.942 9.863 1.00 0.00 C ATOM 1116 CD ARG A 72 9.603 -9.414 8.511 1.00 0.00 C ATOM 1117 NE ARG A 72 10.283 -10.475 7.779 1.00 0.00 N ATOM 1118 CZ ARG A 72 11.065 -10.212 6.735 1.00 0.00 C ATOM 1119 NH1 ARG A 72 11.239 -8.980 6.343 1.00 0.00 N ATOM 1120 NH2 ARG A 72 11.656 -11.188 6.101 1.00 0.00 N ATOM 0 H ARG A 72 6.045 -9.599 10.804 1.00 0.00 H new ATOM 0 HA ARG A 72 8.479 -10.091 12.405 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.644 -8.377 10.019 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.131 -8.036 10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.974 -10.316 10.437 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.446 -10.781 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.754 -9.047 7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.278 -8.570 8.657 1.00 0.00 H new ATOM 0 HE ARG A 72 10.156 -11.443 8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.775 -8.217 6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.839 -8.779 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.518 -12.152 6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.256 -10.987 5.301 1.00 0.00 H new ATOM 1134 N GLY A 73 6.345 -8.169 13.403 1.00 0.00 N ATOM 1135 CA GLY A 73 6.007 -7.110 14.347 1.00 0.00 C ATOM 1136 C GLY A 73 6.187 -5.742 13.695 1.00 0.00 C ATOM 1137 O GLY A 73 6.032 -4.706 14.343 1.00 0.00 O ATOM 0 H GLY A 73 5.586 -8.816 13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.977 -7.228 14.682 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.641 -7.185 15.231 1.00 0.00 H new ATOM 1141 N TRP A 74 6.502 -5.777 12.402 1.00 0.00 N ATOM 1142 CA TRP A 74 6.693 -4.585 11.578 1.00 0.00 C ATOM 1143 C TRP A 74 7.984 -3.849 11.874 1.00 0.00 C ATOM 1144 O TRP A 74 8.042 -2.911 12.668 1.00 0.00 O ATOM 1145 CB TRP A 74 5.467 -3.646 11.647 1.00 0.00 C ATOM 1146 CG TRP A 74 4.405 -4.237 10.781 1.00 0.00 C ATOM 1147 CD1 TRP A 74 4.050 -5.530 10.789 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.585 -3.596 9.778 1.00 0.00 C ATOM 1149 NE1 TRP A 74 3.128 -5.746 9.796 1.00 0.00 N ATOM 1150 CE2 TRP A 74 2.777 -4.578 9.164 1.00 0.00 C ATOM 1151 CE3 TRP A 74 3.477 -2.280 9.341 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 1.889 -4.263 8.141 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 2.583 -1.944 8.324 1.00 0.00 C ATOM 1154 CH2 TRP A 74 1.780 -2.941 7.715 1.00 0.00 C ATOM 0 H TRP A 74 6.634 -6.649 11.889 1.00 0.00 H new ATOM 0 HA TRP A 74 6.785 -4.940 10.551 1.00 0.00 H new ATOM 0 HB2 TRP A 74 5.115 -3.549 12.674 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.730 -2.645 11.304 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.429 -6.280 11.467 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.749 -6.662 9.556 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.089 -1.513 9.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.290 -5.035 7.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.502 -0.917 7.998 1.00 0.00 H new ATOM 0 HH2 TRP A 74 1.089 -2.678 6.927 1.00 0.00 H new ATOM 1165 N ARG A 75 9.011 -4.301 11.165 1.00 0.00 N ATOM 1166 CA ARG A 75 10.350 -3.734 11.232 1.00 0.00 C ATOM 1167 C ARG A 75 10.878 -3.625 9.806 1.00 0.00 C ATOM 1168 O ARG A 75 10.257 -4.120 8.864 1.00 0.00 O ATOM 1169 CB ARG A 75 11.292 -4.639 12.062 1.00 0.00 C ATOM 1170 CG ARG A 75 11.286 -4.236 13.549 1.00 0.00 C ATOM 1171 CD ARG A 75 9.989 -4.698 14.251 1.00 0.00 C ATOM 1172 NE ARG A 75 9.250 -3.540 14.733 1.00 0.00 N ATOM 1173 CZ ARG A 75 8.296 -3.668 15.648 1.00 0.00 C ATOM 1174 NH1 ARG A 75 8.015 -4.846 16.135 1.00 0.00 N ATOM 1175 NH2 ARG A 75 7.643 -2.619 16.060 1.00 0.00 N ATOM 0 H ARG A 75 8.934 -5.085 10.517 1.00 0.00 H new ATOM 0 HA ARG A 75 10.312 -2.757 11.714 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.981 -5.679 11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.306 -4.571 11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.149 -4.674 14.050 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.383 -3.154 13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.373 -5.271 13.557 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.231 -5.359 15.083 1.00 0.00 H new ATOM 0 HE ARG A 75 9.468 -2.615 14.362 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.528 -5.667 15.813 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.283 -4.946 16.838 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.864 -1.699 15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.910 -2.718 16.763 1.00 0.00 H new ATOM 1189 N THR A 76 12.026 -2.999 9.652 1.00 0.00 N ATOM 1190 CA THR A 76 12.637 -2.854 8.346 1.00 0.00 C ATOM 1191 C THR A 76 13.506 -4.068 8.073 1.00 0.00 C ATOM 1192 O THR A 76 13.839 -4.820 8.990 1.00 0.00 O ATOM 1193 CB THR A 76 13.472 -1.585 8.332 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.195 -1.531 9.545 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.560 -0.364 8.213 1.00 0.00 C ATOM 0 H THR A 76 12.556 -2.581 10.417 1.00 0.00 H new ATOM 0 HA THR A 76 11.874 -2.784 7.571 1.00 0.00 H new ATOM 0 HB THR A 76 14.155 -1.587 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.653 -1.085 10.229 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.165 0.543 8.204 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.986 -0.427 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.877 -0.336 9.062 1.00 0.00 H new ATOM 1203 N ALA A 77 13.847 -4.274 6.817 1.00 0.00 N ATOM 1204 CA ALA A 77 14.649 -5.426 6.440 1.00 0.00 C ATOM 1205 C ALA A 77 15.916 -5.555 7.286 1.00 0.00 C ATOM 1206 O ALA A 77 16.578 -6.592 7.251 1.00 0.00 O ATOM 1207 CB ALA A 77 15.004 -5.349 4.947 1.00 0.00 C ATOM 0 H ALA A 77 13.585 -3.664 6.042 1.00 0.00 H new ATOM 0 HA ALA A 77 14.051 -6.318 6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.605 -6.215 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.089 -5.339 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.570 -4.438 4.754 1.00 0.00 H new ATOM 1213 N GLU A 78 16.258 -4.512 8.043 1.00 0.00 N ATOM 1214 CA GLU A 78 17.453 -4.547 8.885 1.00 0.00 C ATOM 1215 C GLU A 78 17.082 -4.783 10.347 1.00 0.00 C ATOM 1216 O GLU A 78 17.831 -5.413 11.094 1.00 0.00 O ATOM 1217 CB GLU A 78 18.216 -3.218 8.750 1.00 0.00 C ATOM 1218 CG GLU A 78 19.700 -3.438 9.005 1.00 0.00 C ATOM 1219 CD GLU A 78 20.464 -2.139 8.773 1.00 0.00 C ATOM 1220 OE1 GLU A 78 19.817 -1.125 8.570 1.00 0.00 O ATOM 1221 OE2 GLU A 78 21.682 -2.178 8.798 1.00 0.00 O ATOM 0 H GLU A 78 15.730 -3.641 8.090 1.00 0.00 H new ATOM 0 HA GLU A 78 18.087 -5.370 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.068 -2.805 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.821 -2.490 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.855 -3.784 10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.080 -4.217 8.344 1.00 0.00 H new ATOM 1228 N GLY A 79 15.931 -4.256 10.749 1.00 0.00 N ATOM 1229 CA GLY A 79 15.468 -4.389 12.128 1.00 0.00 C ATOM 1230 C GLY A 79 15.092 -3.026 12.686 1.00 0.00 C ATOM 1231 O GLY A 79 14.953 -2.853 13.897 1.00 0.00 O ATOM 0 H GLY A 79 15.301 -3.733 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.608 -5.057 12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.250 -4.838 12.741 1.00 0.00 H new ATOM 1235 N LYS A 80 14.918 -2.060 11.787 1.00 0.00 N ATOM 1236 CA LYS A 80 14.542 -0.701 12.183 1.00 0.00 C ATOM 1237 C LYS A 80 13.026 -0.542 12.001 1.00 0.00 C ATOM 1238 O LYS A 80 12.459 -1.115 11.075 1.00 0.00 O ATOM 1239 CB LYS A 80 15.278 0.361 11.336 1.00 0.00 C ATOM 1240 CG LYS A 80 16.756 -0.039 11.104 1.00 0.00 C ATOM 1241 CD LYS A 80 17.268 0.556 9.784 1.00 0.00 C ATOM 1242 CE LYS A 80 16.606 -0.112 8.560 1.00 0.00 C ATOM 1243 NZ LYS A 80 17.602 -0.193 7.455 1.00 0.00 N ATOM 0 H LYS A 80 15.030 -2.190 10.782 1.00 0.00 H new ATOM 0 HA LYS A 80 14.825 -0.549 13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.775 0.478 10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.234 1.327 11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.370 0.314 11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.847 -1.125 11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.068 1.627 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.349 0.433 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.251 -1.109 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.736 0.463 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.239 -0.816 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.767 0.757 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.496 -0.577 7.821 1.00 0.00 H new ATOM 1257 N PRO A 81 12.349 0.209 12.833 1.00 0.00 N ATOM 1258 CA PRO A 81 10.883 0.387 12.682 1.00 0.00 C ATOM 1259 C PRO A 81 10.509 0.753 11.250 1.00 0.00 C ATOM 1260 O PRO A 81 11.311 1.319 10.505 1.00 0.00 O ATOM 1261 CB PRO A 81 10.513 1.526 13.645 1.00 0.00 C ATOM 1262 CG PRO A 81 11.676 1.678 14.594 1.00 0.00 C ATOM 1263 CD PRO A 81 12.887 0.939 13.986 1.00 0.00 C ATOM 0 HA PRO A 81 10.346 -0.535 12.908 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.334 2.452 13.100 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.597 1.293 14.188 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.909 2.732 14.745 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.428 1.263 15.571 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.664 1.640 13.681 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.337 0.258 14.709 1.00 0.00 H new ATOM 1271 N VAL A 82 9.284 0.417 10.879 1.00 0.00 N ATOM 1272 CA VAL A 82 8.788 0.701 9.526 1.00 0.00 C ATOM 1273 C VAL A 82 8.164 2.095 9.494 1.00 0.00 C ATOM 1274 O VAL A 82 7.433 2.470 10.405 1.00 0.00 O ATOM 1275 CB VAL A 82 7.738 -0.361 9.089 1.00 0.00 C ATOM 1276 CG1 VAL A 82 7.927 -0.745 7.614 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.888 -1.620 9.942 1.00 0.00 C ATOM 0 H VAL A 82 8.611 -0.051 11.487 1.00 0.00 H new ATOM 0 HA VAL A 82 9.626 0.660 8.830 1.00 0.00 H new ATOM 0 HB VAL A 82 6.747 0.072 9.223 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.181 -1.489 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.810 0.141 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.925 -1.160 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.150 -2.360 9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.890 -2.030 9.813 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.731 -1.369 10.991 1.00 0.00 H new ATOM 1287 N LYS A 83 8.447 2.855 8.447 1.00 0.00 N ATOM 1288 CA LYS A 83 7.902 4.183 8.313 1.00 0.00 C ATOM 1289 C LYS A 83 6.550 4.100 7.613 1.00 0.00 C ATOM 1290 O LYS A 83 6.330 3.198 6.809 1.00 0.00 O ATOM 1291 CB LYS A 83 8.859 5.028 7.475 1.00 0.00 C ATOM 1292 CG LYS A 83 10.309 4.813 7.932 1.00 0.00 C ATOM 1293 CD LYS A 83 10.463 5.167 9.413 1.00 0.00 C ATOM 1294 CE LYS A 83 11.943 5.108 9.798 1.00 0.00 C ATOM 1295 NZ LYS A 83 12.096 5.492 11.229 1.00 0.00 N ATOM 0 H LYS A 83 9.054 2.567 7.679 1.00 0.00 H new ATOM 0 HA LYS A 83 7.775 4.637 9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.760 4.763 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.596 6.082 7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.598 3.775 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.980 5.429 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.066 6.164 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.888 4.473 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.333 4.103 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.522 5.781 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.101 5.453 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.739 6.459 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.555 4.833 11.825 1.00 0.00 H new ATOM 1309 N ASN A 84 5.656 5.038 7.931 1.00 0.00 N ATOM 1310 CA ASN A 84 4.321 5.077 7.334 1.00 0.00 C ATOM 1311 C ASN A 84 3.472 3.913 7.834 1.00 0.00 C ATOM 1312 O ASN A 84 2.353 3.693 7.366 1.00 0.00 O ATOM 1313 CB ASN A 84 4.415 5.031 5.797 1.00 0.00 C ATOM 1314 CG ASN A 84 5.376 6.098 5.284 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.189 6.629 4.191 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.410 6.432 6.003 1.00 0.00 N ATOM 0 H ASN A 84 5.835 5.785 8.603 1.00 0.00 H new ATOM 0 HA ASN A 84 3.846 6.011 7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.754 4.045 5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.427 5.185 5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.065 7.134 5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.565 5.991 6.910 1.00 0.00 H new ATOM 1323 N ARG A 85 4.025 3.165 8.777 1.00 0.00 N ATOM 1324 CA ARG A 85 3.331 2.004 9.339 1.00 0.00 C ATOM 1325 C ARG A 85 1.880 2.324 9.649 1.00 0.00 C ATOM 1326 O ARG A 85 1.036 1.436 9.738 1.00 0.00 O ATOM 1327 CB ARG A 85 4.061 1.517 10.608 1.00 0.00 C ATOM 1328 CG ARG A 85 3.835 2.440 11.829 1.00 0.00 C ATOM 1329 CD ARG A 85 4.605 3.751 11.664 1.00 0.00 C ATOM 1330 NE ARG A 85 4.605 4.481 12.927 1.00 0.00 N ATOM 1331 CZ ARG A 85 5.286 5.615 13.075 1.00 0.00 C ATOM 1332 NH1 ARG A 85 5.985 6.094 12.084 1.00 0.00 N ATOM 1333 NH2 ARG A 85 5.261 6.242 14.221 1.00 0.00 N ATOM 0 H ARG A 85 4.950 3.336 9.172 1.00 0.00 H new ATOM 0 HA ARG A 85 3.341 1.208 8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.720 0.511 10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.129 1.451 10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.771 2.649 11.942 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.159 1.934 12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.629 3.546 11.351 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.148 4.357 10.882 1.00 0.00 H new ATOM 0 HE ARG A 85 4.071 4.114 13.715 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.011 5.599 11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.506 6.963 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.721 5.862 14.998 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.782 7.111 14.338 1.00 0.00 H new ATOM 1347 N ASP A 86 1.603 3.598 9.811 1.00 0.00 N ATOM 1348 CA ASP A 86 0.254 4.045 10.111 1.00 0.00 C ATOM 1349 C ASP A 86 -0.595 4.060 8.852 1.00 0.00 C ATOM 1350 O ASP A 86 -1.753 3.630 8.859 1.00 0.00 O ATOM 1351 CB ASP A 86 0.300 5.445 10.726 1.00 0.00 C ATOM 1352 CG ASP A 86 -1.115 5.959 10.970 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -2.037 5.165 10.883 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -1.256 7.140 11.242 1.00 0.00 O ATOM 0 H ASP A 86 2.292 4.347 9.741 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.195 3.352 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.853 5.420 11.665 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.832 6.125 10.061 1.00 0.00 H new ATOM 1359 N LEU A 87 -0.009 4.542 7.764 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.718 4.599 6.511 1.00 0.00 C ATOM 1361 C LEU A 87 -0.934 3.193 6.024 1.00 0.00 C ATOM 1362 O LEU A 87 -2.021 2.838 5.592 1.00 0.00 O ATOM 1363 CB LEU A 87 0.091 5.392 5.477 1.00 0.00 C ATOM 1364 CG LEU A 87 0.552 6.735 6.082 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.323 7.568 5.039 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.665 7.533 6.562 1.00 0.00 C ATOM 0 H LEU A 87 0.948 4.894 7.732 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.676 5.100 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.957 4.812 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.516 5.573 4.590 1.00 0.00 H new ATOM 0 HG LEU A 87 1.212 6.522 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.638 8.510 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.200 7.013 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.676 7.771 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.334 8.480 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.329 7.727 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.199 6.961 7.320 1.00 0.00 H new ATOM 1378 N TRP A 88 0.123 2.405 6.128 1.00 0.00 N ATOM 1379 CA TRP A 88 0.102 1.022 5.718 1.00 0.00 C ATOM 1380 C TRP A 88 -0.910 0.213 6.518 1.00 0.00 C ATOM 1381 O TRP A 88 -1.844 -0.354 5.959 1.00 0.00 O ATOM 1382 CB TRP A 88 1.490 0.475 5.972 1.00 0.00 C ATOM 1383 CG TRP A 88 2.412 0.888 4.895 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.462 1.694 5.072 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.393 0.523 3.498 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.089 1.880 3.863 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.466 1.173 2.856 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.550 -0.292 2.735 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.696 1.019 1.497 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.776 -0.456 1.364 1.00 0.00 C ATOM 1391 CH2 TRP A 88 2.848 0.202 0.743 1.00 0.00 C ATOM 0 H TRP A 88 1.021 2.713 6.501 1.00 0.00 H new ATOM 0 HA TRP A 88 -0.185 0.951 4.669 1.00 0.00 H new ATOM 0 HB2 TRP A 88 1.859 0.834 6.933 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.454 -0.613 6.031 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.769 2.129 6.012 1.00 0.00 H new ATOM 0 HE1 TRP A 88 4.912 2.467 3.728 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.720 -0.797 3.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.524 1.526 1.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.124 -1.091 0.783 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.018 0.078 -0.316 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.708 0.142 7.827 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.614 -0.631 8.670 1.00 0.00 C ATOM 1404 C GLU A 89 -3.065 -0.251 8.390 1.00 0.00 C ATOM 1405 O GLU A 89 -3.978 -1.073 8.517 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.297 -0.388 10.150 1.00 0.00 C ATOM 1407 CG GLU A 89 -0.026 -1.145 10.540 1.00 0.00 C ATOM 1408 CD GLU A 89 0.357 -0.804 11.976 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.378 -0.057 12.601 1.00 0.00 O ATOM 1410 OE2 GLU A 89 1.376 -1.295 12.429 1.00 0.00 O ATOM 0 H GLU A 89 0.058 0.599 8.321 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.475 -1.687 8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.166 0.679 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.132 -0.718 10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.186 -2.219 10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.788 -0.881 9.864 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.269 0.998 7.988 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.617 1.482 7.681 1.00 0.00 C ATOM 1419 C ALA A 90 -4.994 1.123 6.252 1.00 0.00 C ATOM 1420 O ALA A 90 -6.092 0.633 5.991 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.691 2.995 7.876 1.00 0.00 C ATOM 0 H ALA A 90 -2.530 1.690 7.867 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.321 1.003 8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.698 3.343 7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.451 3.241 8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.977 3.483 7.212 1.00 0.00 H new ATOM 1427 N LEU A 91 -4.063 1.339 5.339 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.276 1.010 3.954 1.00 0.00 C ATOM 1429 C LEU A 91 -4.487 -0.509 3.836 1.00 0.00 C ATOM 1430 O LEU A 91 -5.311 -0.973 3.056 1.00 0.00 O ATOM 1431 CB LEU A 91 -3.064 1.539 3.129 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.730 0.608 1.963 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.910 1.368 0.901 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.951 -0.646 2.457 1.00 0.00 C ATOM 0 H LEU A 91 -3.149 1.744 5.541 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.170 1.486 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.289 2.535 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.195 1.636 3.779 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.663 0.268 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.676 0.698 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.489 2.214 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.984 1.731 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.726 -1.292 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.021 -0.333 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.560 -1.192 3.177 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.753 -1.269 4.634 1.00 0.00 N ATOM 1447 CA LEU A 92 -3.875 -2.726 4.635 1.00 0.00 C ATOM 1448 C LEU A 92 -5.243 -3.150 5.162 1.00 0.00 C ATOM 1449 O LEU A 92 -5.885 -4.040 4.603 1.00 0.00 O ATOM 1450 CB LEU A 92 -2.761 -3.340 5.496 1.00 0.00 C ATOM 1451 CG LEU A 92 -2.772 -4.883 5.378 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -2.125 -5.312 4.057 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -1.995 -5.519 6.544 1.00 0.00 C ATOM 0 H LEU A 92 -3.064 -0.904 5.292 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.776 -3.087 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.793 -2.952 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.896 -3.048 6.538 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.808 -5.220 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.137 -6.399 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.682 -4.885 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.095 -4.957 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.013 -6.604 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.962 -5.170 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.458 -5.233 7.489 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.689 -2.501 6.227 1.00 0.00 N ATOM 1466 CA LEU A 93 -6.997 -2.814 6.802 1.00 0.00 C ATOM 1467 C LEU A 93 -8.080 -2.375 5.841 1.00 0.00 C ATOM 1468 O LEU A 93 -9.129 -3.010 5.711 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.178 -2.098 8.145 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.410 -2.840 9.253 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -6.233 -1.903 10.444 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -7.188 -4.085 9.712 1.00 0.00 C ATOM 0 H LEU A 93 -5.175 -1.763 6.709 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.064 -3.889 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.819 -1.072 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.237 -2.047 8.398 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.442 -3.153 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.690 -2.419 11.235 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.672 -1.022 10.133 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.211 -1.598 10.815 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.628 -4.595 10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.161 -3.784 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.327 -4.759 8.867 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.800 -1.274 5.177 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.727 -0.706 4.210 1.00 0.00 C ATOM 1486 C ALA A 94 -8.641 -1.432 2.871 1.00 0.00 C ATOM 1487 O ALA A 94 -9.519 -1.270 2.035 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.425 0.779 4.000 1.00 0.00 C ATOM 0 H ALA A 94 -6.933 -0.748 5.287 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.735 -0.824 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.125 1.194 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.528 1.309 4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.407 0.894 3.629 1.00 0.00 H new ATOM 1494 N MET A 95 -7.583 -2.230 2.668 1.00 0.00 N ATOM 1495 CA MET A 95 -7.410 -2.975 1.403 1.00 0.00 C ATOM 1496 C MET A 95 -7.990 -4.375 1.481 1.00 0.00 C ATOM 1497 O MET A 95 -7.952 -5.132 0.511 1.00 0.00 O ATOM 1498 CB MET A 95 -5.922 -3.057 1.013 1.00 0.00 C ATOM 1499 CG MET A 95 -5.527 -1.791 0.263 1.00 0.00 C ATOM 1500 SD MET A 95 -3.732 -1.719 -0.049 1.00 0.00 S ATOM 1501 CE MET A 95 -3.365 -3.461 -0.400 1.00 0.00 C ATOM 0 H MET A 95 -6.840 -2.378 3.351 1.00 0.00 H new ATOM 0 HA MET A 95 -7.956 -2.423 0.638 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.306 -3.172 1.905 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.746 -3.933 0.389 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.062 -1.749 -0.685 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.831 -0.917 0.840 1.00 0.00 H new ATOM 0 HE1 MET A 95 -2.397 -3.536 -0.896 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.339 -4.023 0.534 1.00 0.00 H new ATOM 0 HE3 MET A 95 -4.138 -3.872 -1.049 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.510 -4.715 2.626 1.00 0.00 N ATOM 1512 CA ALA A 96 -9.087 -6.040 2.809 1.00 0.00 C ATOM 1513 C ALA A 96 -10.372 -6.185 1.978 1.00 0.00 C ATOM 1514 O ALA A 96 -10.531 -7.161 1.247 1.00 0.00 O ATOM 1515 CB ALA A 96 -9.347 -6.311 4.311 1.00 0.00 C ATOM 0 H ALA A 96 -8.552 -4.109 3.446 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.377 -6.787 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.778 -7.305 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.407 -6.254 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.040 -5.565 4.701 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.285 -5.246 2.076 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.579 -5.287 1.317 1.00 0.00 C ATOM 1523 C PRO A 97 -12.396 -5.245 -0.209 1.00 0.00 C ATOM 1524 O PRO A 97 -13.172 -5.852 -0.947 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.334 -4.032 1.810 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.665 -3.658 3.091 1.00 0.00 C ATOM 1527 CD PRO A 97 -11.202 -4.037 2.906 1.00 0.00 C ATOM 0 HA PRO A 97 -13.110 -6.221 1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.273 -3.223 1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.392 -4.243 1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.773 -2.593 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.105 -4.190 3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.638 -3.245 2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.711 -4.233 3.859 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.390 -4.500 -0.672 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.146 -4.359 -2.112 1.00 0.00 C ATOM 1537 C HIS A 98 -10.200 -5.424 -2.635 1.00 0.00 C ATOM 1538 O HIS A 98 -9.470 -6.060 -1.876 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.527 -2.992 -2.394 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.252 -1.951 -1.614 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -12.573 -1.616 -1.852 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -10.842 -1.165 -0.585 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -12.905 -0.657 -0.972 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -11.883 -0.341 -0.173 1.00 0.00 N ATOM 0 H HIS A 98 -10.736 -3.989 -0.079 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.107 -4.467 -2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.471 -2.996 -2.123 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.582 -2.768 -3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.853 -1.178 -0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -13.881 -0.197 -0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -11.869 0.352 0.575 1.00 0.00 H new ATOM 1552 N ARG A 99 -10.200 -5.579 -3.958 1.00 0.00 N ATOM 1553 CA ARG A 99 -9.309 -6.540 -4.615 1.00 0.00 C ATOM 1554 C ARG A 99 -8.107 -5.790 -5.159 1.00 0.00 C ATOM 1555 O ARG A 99 -7.203 -6.378 -5.752 1.00 0.00 O ATOM 1556 CB ARG A 99 -10.043 -7.282 -5.751 1.00 0.00 C ATOM 1557 CG ARG A 99 -10.737 -8.543 -5.210 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.949 -8.146 -4.370 1.00 0.00 C ATOM 1559 NE ARG A 99 -12.539 -9.331 -3.760 1.00 0.00 N ATOM 1560 CZ ARG A 99 -13.196 -10.223 -4.492 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -13.317 -10.052 -5.779 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -13.715 -11.276 -3.922 1.00 0.00 N ATOM 0 H ARG A 99 -10.802 -5.056 -4.594 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.983 -7.288 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.780 -6.622 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.334 -7.557 -6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.049 -9.181 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.039 -9.123 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.650 -7.438 -3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.687 -7.642 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.446 -9.477 -2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.907 -9.232 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.822 -10.738 -6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.616 -11.413 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.220 -11.962 -4.482 1.00 0.00 H new ATOM 1576 N VAL A 100 -8.132 -4.482 -4.917 1.00 0.00 N ATOM 1577 CA VAL A 100 -7.073 -3.548 -5.325 1.00 0.00 C ATOM 1578 C VAL A 100 -5.892 -4.241 -5.998 1.00 0.00 C ATOM 1579 O VAL A 100 -5.169 -5.015 -5.374 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.572 -2.818 -4.086 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -5.990 -3.845 -3.094 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.494 -1.805 -4.497 1.00 0.00 C ATOM 0 H VAL A 100 -8.900 -4.028 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.503 -2.862 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.394 -2.286 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.630 -3.328 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.765 -4.557 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.163 -4.377 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.132 -1.280 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.665 -2.329 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.919 -1.086 -5.198 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.714 -3.956 -7.276 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.629 -4.543 -8.051 1.00 0.00 C ATOM 1594 C ARG A 101 -3.408 -3.624 -8.034 1.00 0.00 C ATOM 1595 O ARG A 101 -3.546 -2.398 -7.992 1.00 0.00 O ATOM 1596 CB ARG A 101 -5.112 -4.720 -9.482 1.00 0.00 C ATOM 1597 CG ARG A 101 -6.214 -5.781 -9.548 1.00 0.00 C ATOM 1598 CD ARG A 101 -6.970 -5.619 -10.869 1.00 0.00 C ATOM 1599 NE ARG A 101 -7.953 -6.681 -11.030 1.00 0.00 N ATOM 1600 CZ ARG A 101 -7.582 -7.903 -11.393 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.320 -8.160 -11.610 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.473 -8.843 -11.537 1.00 0.00 N ATOM 0 H ARG A 101 -6.310 -3.318 -7.804 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.344 -5.503 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.489 -3.772 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.278 -5.013 -10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.782 -6.779 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.897 -5.670 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.467 -4.649 -10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.267 -5.638 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.939 -6.484 -10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.623 -7.423 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.031 -9.098 -11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.459 -8.641 -11.371 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.185 -9.781 -11.816 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.215 -4.219 -8.087 1.00 0.00 N ATOM 1617 CA PHE A 102 -0.964 -3.451 -8.096 1.00 0.00 C ATOM 1618 C PHE A 102 -0.327 -3.516 -9.488 1.00 0.00 C ATOM 1619 O PHE A 102 -0.140 -4.599 -10.044 1.00 0.00 O ATOM 1620 CB PHE A 102 0.011 -4.024 -7.052 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.267 -3.442 -5.673 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.546 -3.544 -5.102 1.00 0.00 C ATOM 1623 CD2 PHE A 102 0.768 -2.821 -4.955 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.782 -3.025 -3.819 1.00 0.00 C ATOM 1625 CE2 PHE A 102 0.527 -2.303 -3.681 1.00 0.00 C ATOM 1626 CZ PHE A 102 -0.744 -2.407 -3.111 1.00 0.00 C ATOM 0 H PHE A 102 -2.086 -5.230 -8.124 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.182 -2.412 -7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.082 -5.110 -7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.037 -3.801 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.346 -4.021 -5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.754 -2.744 -5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.765 -3.102 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.325 -1.821 -3.135 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.926 -2.010 -2.123 1.00 0.00 H new ATOM 1636 N HIS A 103 0.002 -2.349 -10.044 1.00 0.00 N ATOM 1637 CA HIS A 103 0.616 -2.273 -11.376 1.00 0.00 C ATOM 1638 C HIS A 103 1.808 -1.317 -11.372 1.00 0.00 C ATOM 1639 O HIS A 103 1.664 -0.129 -11.636 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.433 -1.788 -12.395 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.214 -2.959 -12.935 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -0.925 -3.530 -14.165 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.265 -3.681 -12.424 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -1.784 -4.549 -14.350 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -2.623 -4.685 -13.320 1.00 0.00 N ATOM 0 H HIS A 103 -0.145 -1.444 -9.596 1.00 0.00 H new ATOM 0 HA HIS A 103 0.972 -3.265 -11.653 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.110 -1.078 -11.921 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.060 -1.262 -13.213 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.741 -3.498 -11.472 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.794 -5.181 -15.226 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.366 -5.376 -13.213 1.00 0.00 H new ATOM 1653 N PHE A 104 2.988 -1.834 -11.094 1.00 0.00 N ATOM 1654 CA PHE A 104 4.164 -0.991 -11.086 1.00 0.00 C ATOM 1655 C PHE A 104 4.471 -0.529 -12.510 1.00 0.00 C ATOM 1656 O PHE A 104 5.097 -1.247 -13.288 1.00 0.00 O ATOM 1657 CB PHE A 104 5.359 -1.753 -10.481 1.00 0.00 C ATOM 1658 CG PHE A 104 4.855 -2.903 -9.638 1.00 0.00 C ATOM 1659 CD1 PHE A 104 4.389 -2.668 -8.339 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.851 -4.202 -10.159 1.00 0.00 C ATOM 1661 CE1 PHE A 104 3.920 -3.732 -7.561 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.380 -5.267 -9.381 1.00 0.00 C ATOM 1663 CZ PHE A 104 3.916 -5.032 -8.081 1.00 0.00 C ATOM 0 H PHE A 104 3.156 -2.816 -10.874 1.00 0.00 H new ATOM 0 HA PHE A 104 3.978 -0.112 -10.468 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.004 -2.127 -11.276 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.962 -1.079 -9.872 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.392 -1.665 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.211 -4.383 -11.161 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.561 -3.551 -6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.375 -6.269 -9.784 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.555 -5.853 -7.480 1.00 0.00 H new ATOM 1673 N VAL A 105 4.012 0.676 -12.840 1.00 0.00 N ATOM 1674 CA VAL A 105 4.214 1.250 -14.157 1.00 0.00 C ATOM 1675 C VAL A 105 5.454 2.132 -14.145 1.00 0.00 C ATOM 1676 O VAL A 105 5.374 3.355 -14.086 1.00 0.00 O ATOM 1677 CB VAL A 105 2.963 2.058 -14.538 1.00 0.00 C ATOM 1678 CG1 VAL A 105 3.249 2.974 -15.741 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.827 1.084 -14.886 1.00 0.00 C ATOM 0 H VAL A 105 3.492 1.276 -12.200 1.00 0.00 H new ATOM 0 HA VAL A 105 4.367 0.464 -14.897 1.00 0.00 H new ATOM 0 HB VAL A 105 2.674 2.684 -13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.349 3.536 -15.993 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.051 3.667 -15.488 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.549 2.368 -16.596 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.935 1.648 -15.158 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.129 0.457 -15.725 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.610 0.455 -14.023 1.00 0.00 H new ATOM 1689 N LYS A 106 6.606 1.487 -14.209 1.00 0.00 N ATOM 1690 CA LYS A 106 7.887 2.190 -14.219 1.00 0.00 C ATOM 1691 C LYS A 106 8.545 2.063 -15.589 1.00 0.00 C ATOM 1692 O LYS A 106 8.733 3.082 -16.231 1.00 0.00 O ATOM 1693 CB LYS A 106 8.815 1.599 -13.162 1.00 0.00 C ATOM 1694 CG LYS A 106 8.241 1.840 -11.769 1.00 0.00 C ATOM 1695 CD LYS A 106 9.176 1.229 -10.725 1.00 0.00 C ATOM 1696 CE LYS A 106 8.626 1.502 -9.324 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.535 0.900 -8.308 1.00 0.00 N ATOM 0 H LYS A 106 6.685 0.471 -14.255 1.00 0.00 H new ATOM 0 HA LYS A 106 7.707 3.242 -13.999 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.940 0.530 -13.333 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.803 2.052 -13.240 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.127 2.909 -11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.249 1.396 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.268 0.155 -10.888 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.175 1.653 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.539 2.576 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.625 1.082 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.004 0.717 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.920 0.005 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.316 1.557 -8.108 1.00 0.00 H new