USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 155:sc= -9.73! USER MOD Set 1.2: A 77 TYR OH : rot 33:sc= -4.3! USER MOD Single : A 1 ALA N :NH3+ 173:sc= 0.398 (180deg=0.277) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 112:sc= -4.67! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.825 K(o=-0.82,f=0) USER MOD Single : A 22 SER OG : rot -175:sc= 0.185 USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.267) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.8! C(o=-7.8!,f=-8!) USER MOD Single : A 35 HIS : no HE2:sc= -11.7! C(o=-12!,f=-15!) USER MOD Single : A 37 THR OG1 : rot -2:sc= 1.65 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.765 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.8!) USER MOD Single : A 64 THR OG1 : rot 21:sc= -0.961! USER MOD Single : A 65 TYR OH : rot 180:sc= -3.25! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.15 K(o=-3.1,f=-1.4) USER MOD Single : A 82 THR OG1 : rot -170:sc= -7.02! USER MOD Single : A 87 ASN : amide:sc= -3! C(o=-3!,f=-5.2!) USER MOD Single : A 89 ASN : amide:sc= -0.0912 K(o=-0.091,f=-2.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= -0.0222 (180deg=-0.743) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.458 -8.862 -0.520 1.00 0.00 N ATOM 2 CA ALA A 1 -17.484 -9.194 -1.598 1.00 0.00 C ATOM 3 C ALA A 1 -16.062 -9.069 -1.054 1.00 0.00 C ATOM 4 O ALA A 1 -15.519 -7.989 -0.946 1.00 0.00 O ATOM 5 CB ALA A 1 -17.668 -8.231 -2.772 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.419 -8.831 -0.918 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.414 -9.588 0.223 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.222 -7.935 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.656 -10.215 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.955 -8.476 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.682 -8.321 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.498 -7.209 -2.434 1.00 0.00 H new ATOM 13 N ASP A 2 -15.461 -10.171 -0.718 1.00 0.00 N ATOM 14 CA ASP A 2 -14.078 -10.138 -0.180 1.00 0.00 C ATOM 15 C ASP A 2 -13.975 -9.174 1.011 1.00 0.00 C ATOM 16 O ASP A 2 -13.058 -8.381 1.084 1.00 0.00 O ATOM 17 CB ASP A 2 -13.127 -9.688 -1.285 1.00 0.00 C ATOM 18 CG ASP A 2 -11.730 -9.566 -0.705 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.545 -10.003 0.416 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.866 -9.038 -1.387 1.00 0.00 O ATOM 0 H ASP A 2 -15.872 -11.101 -0.794 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.810 -11.137 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.134 -10.406 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.450 -8.732 -1.696 1.00 0.00 H new ATOM 25 N PRO A 3 -14.888 -9.287 1.942 1.00 0.00 N ATOM 26 CA PRO A 3 -14.857 -8.458 3.153 1.00 0.00 C ATOM 27 C PRO A 3 -13.847 -9.069 4.129 1.00 0.00 C ATOM 28 O PRO A 3 -13.697 -8.624 5.250 1.00 0.00 O ATOM 29 CB PRO A 3 -16.276 -8.575 3.710 1.00 0.00 C ATOM 30 CG PRO A 3 -16.856 -9.892 3.140 1.00 0.00 C ATOM 31 CD PRO A 3 -16.029 -10.228 1.885 1.00 0.00 C ATOM 0 HA PRO A 3 -14.568 -7.422 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.266 -8.593 4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.883 -7.721 3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.790 -10.695 3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.910 -9.775 2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.692 -11.264 1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.613 -10.092 0.975 1.00 0.00 H new ATOM 39 N GLU A 4 -13.189 -10.125 3.715 1.00 0.00 N ATOM 40 CA GLU A 4 -12.228 -10.815 4.615 1.00 0.00 C ATOM 41 C GLU A 4 -11.011 -11.344 3.842 1.00 0.00 C ATOM 42 O GLU A 4 -10.218 -12.092 4.377 1.00 0.00 O ATOM 43 CB GLU A 4 -12.950 -12.008 5.209 1.00 0.00 C ATOM 44 CG GLU A 4 -13.026 -11.872 6.731 1.00 0.00 C ATOM 45 CD GLU A 4 -14.492 -11.854 7.171 1.00 0.00 C ATOM 46 OE1 GLU A 4 -15.332 -11.525 6.350 1.00 0.00 O ATOM 47 OE2 GLU A 4 -14.750 -12.172 8.320 1.00 0.00 O ATOM 0 H GLU A 4 -13.281 -10.537 2.786 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.880 -10.111 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.954 -12.080 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.428 -12.928 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.503 -12.701 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.529 -10.956 7.050 1.00 0.00 H new ATOM 54 N LYS A 5 -10.846 -10.983 2.602 1.00 0.00 N ATOM 55 CA LYS A 5 -9.677 -11.500 1.843 1.00 0.00 C ATOM 56 C LYS A 5 -9.134 -10.376 0.981 1.00 0.00 C ATOM 57 O LYS A 5 -8.752 -10.568 -0.157 1.00 0.00 O ATOM 58 CB LYS A 5 -10.108 -12.672 0.962 1.00 0.00 C ATOM 59 CG LYS A 5 -10.726 -13.768 1.832 1.00 0.00 C ATOM 60 CD LYS A 5 -12.210 -13.472 2.052 1.00 0.00 C ATOM 61 CE LYS A 5 -13.049 -14.591 1.434 1.00 0.00 C ATOM 62 NZ LYS A 5 -13.398 -15.591 2.483 1.00 0.00 N ATOM 0 H LYS A 5 -11.464 -10.358 2.085 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.907 -11.849 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.829 -12.335 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.250 -13.066 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.606 -14.739 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.209 -13.820 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.422 -13.390 3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.472 -12.515 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.957 -14.178 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.495 -15.072 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.969 -16.352 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.526 -15.993 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.943 -15.127 3.237 1.00 0.00 H new ATOM 76 N SER A 6 -9.114 -9.197 1.520 1.00 0.00 N ATOM 77 CA SER A 6 -8.615 -8.037 0.739 1.00 0.00 C ATOM 78 C SER A 6 -7.343 -7.508 1.398 1.00 0.00 C ATOM 79 O SER A 6 -7.349 -7.097 2.537 1.00 0.00 O ATOM 80 CB SER A 6 -9.670 -6.931 0.734 1.00 0.00 C ATOM 81 OG SER A 6 -10.960 -7.507 0.589 1.00 0.00 O ATOM 0 H SER A 6 -9.422 -8.984 2.469 1.00 0.00 H new ATOM 0 HA SER A 6 -8.407 -8.347 -0.285 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.617 -6.360 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.478 -6.234 -0.082 1.00 0.00 H new ATOM 0 HG SER A 6 -11.470 -7.381 1.417 1.00 0.00 H new ATOM 87 N TYR A 7 -6.247 -7.539 0.697 1.00 0.00 N ATOM 88 CA TYR A 7 -4.970 -7.050 1.299 1.00 0.00 C ATOM 89 C TYR A 7 -4.131 -6.292 0.259 1.00 0.00 C ATOM 90 O TYR A 7 -4.123 -6.620 -0.911 1.00 0.00 O ATOM 91 CB TYR A 7 -4.169 -8.247 1.813 1.00 0.00 C ATOM 92 CG TYR A 7 -4.123 -9.313 0.745 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.210 -10.178 0.572 1.00 0.00 C ATOM 94 CD2 TYR A 7 -2.996 -9.432 -0.077 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.170 -11.163 -0.423 1.00 0.00 C ATOM 96 CE2 TYR A 7 -2.955 -10.418 -1.071 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.042 -11.284 -1.244 1.00 0.00 C ATOM 98 OH TYR A 7 -4.003 -12.255 -2.224 1.00 0.00 O ATOM 0 H TYR A 7 -6.176 -7.879 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.207 -6.371 2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.158 -7.936 2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.627 -8.644 2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.080 -10.086 1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.158 -8.763 0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.009 -11.829 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.085 -10.510 -1.704 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.150 -12.201 -2.704 1.00 0.00 H new ATOM 108 N ALA A 8 -3.408 -5.289 0.695 1.00 0.00 N ATOM 109 CA ALA A 8 -2.540 -4.506 -0.239 1.00 0.00 C ATOM 110 C ALA A 8 -1.119 -4.494 0.315 1.00 0.00 C ATOM 111 O ALA A 8 -0.903 -4.192 1.472 1.00 0.00 O ATOM 112 CB ALA A 8 -3.037 -3.063 -0.337 1.00 0.00 C ATOM 0 H ALA A 8 -3.382 -4.977 1.666 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.568 -4.964 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.397 -2.503 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.061 -3.055 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.008 -2.600 0.649 1.00 0.00 H new ATOM 118 N GLU A 9 -0.143 -4.820 -0.485 1.00 0.00 N ATOM 119 CA GLU A 9 1.251 -4.816 0.043 1.00 0.00 C ATOM 120 C GLU A 9 2.237 -4.489 -1.076 1.00 0.00 C ATOM 121 O GLU A 9 2.087 -4.915 -2.208 1.00 0.00 O ATOM 122 CB GLU A 9 1.585 -6.191 0.633 1.00 0.00 C ATOM 123 CG GLU A 9 0.751 -7.272 -0.061 1.00 0.00 C ATOM 124 CD GLU A 9 1.417 -8.633 0.134 1.00 0.00 C ATOM 125 OE1 GLU A 9 1.367 -9.142 1.242 1.00 0.00 O ATOM 126 OE2 GLU A 9 1.967 -9.146 -0.827 1.00 0.00 O ATOM 0 H GLU A 9 -0.245 -5.085 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 9 1.330 -4.057 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.647 -6.402 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.383 -6.196 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.259 -7.287 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.659 -7.049 -1.124 1.00 0.00 H new ATOM 133 N GLY A 10 3.244 -3.724 -0.763 1.00 0.00 N ATOM 134 CA GLY A 10 4.250 -3.363 -1.790 1.00 0.00 C ATOM 135 C GLY A 10 5.513 -2.837 -1.111 1.00 0.00 C ATOM 136 O GLY A 10 5.538 -2.648 0.089 1.00 0.00 O ATOM 0 H GLY A 10 3.411 -3.333 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.489 -4.234 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.844 -2.606 -2.461 1.00 0.00 H new ATOM 140 N PRO A 11 6.510 -2.564 -1.915 1.00 0.00 N ATOM 141 CA PRO A 11 7.775 -1.988 -1.437 1.00 0.00 C ATOM 142 C PRO A 11 7.586 -0.477 -1.245 1.00 0.00 C ATOM 143 O PRO A 11 8.521 0.258 -0.998 1.00 0.00 O ATOM 144 CB PRO A 11 8.757 -2.281 -2.576 1.00 0.00 C ATOM 145 CG PRO A 11 7.900 -2.484 -3.848 1.00 0.00 C ATOM 146 CD PRO A 11 6.471 -2.812 -3.371 1.00 0.00 C ATOM 0 HA PRO A 11 8.121 -2.393 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.458 -1.456 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.349 -3.171 -2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.905 -1.586 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.300 -3.293 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.732 -2.180 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.205 -3.846 -3.592 1.00 0.00 H new ATOM 154 N GLY A 12 6.364 -0.017 -1.369 1.00 0.00 N ATOM 155 CA GLY A 12 6.064 1.428 -1.211 1.00 0.00 C ATOM 156 C GLY A 12 5.122 1.609 -0.026 1.00 0.00 C ATOM 157 O GLY A 12 4.420 0.696 0.323 1.00 0.00 O ATOM 0 H GLY A 12 5.552 -0.598 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.985 1.989 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.607 1.820 -2.120 1.00 0.00 H new ATOM 161 N LEU A 13 5.104 2.781 0.572 1.00 0.00 N ATOM 162 CA LEU A 13 4.196 3.065 1.738 1.00 0.00 C ATOM 163 C LEU A 13 4.900 2.763 3.055 1.00 0.00 C ATOM 164 O LEU A 13 4.585 3.328 4.083 1.00 0.00 O ATOM 165 CB LEU A 13 2.880 2.273 1.607 1.00 0.00 C ATOM 166 CG LEU A 13 2.692 1.228 2.731 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.214 0.918 2.856 1.00 0.00 C ATOM 168 CD2 LEU A 13 3.433 -0.074 2.403 1.00 0.00 C ATOM 0 H LEU A 13 5.691 3.568 0.296 1.00 0.00 H new ATOM 0 HA LEU A 13 3.947 4.126 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.041 2.968 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.860 1.768 0.641 1.00 0.00 H new ATOM 0 HG LEU A 13 3.093 1.636 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.062 0.182 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.670 1.830 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.845 0.519 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.284 -0.791 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.045 -0.489 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.498 0.131 2.292 1.00 0.00 H new ATOM 180 N ASP A 14 5.849 1.890 3.035 1.00 0.00 N ATOM 181 CA ASP A 14 6.583 1.566 4.294 1.00 0.00 C ATOM 182 C ASP A 14 7.061 2.867 4.930 1.00 0.00 C ATOM 183 O ASP A 14 7.336 2.938 6.112 1.00 0.00 O ATOM 184 CB ASP A 14 7.805 0.724 3.972 1.00 0.00 C ATOM 185 CG ASP A 14 7.466 -0.291 2.879 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.627 0.044 1.716 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.050 -1.385 3.222 1.00 0.00 O ATOM 0 H ASP A 14 6.157 1.380 2.207 1.00 0.00 H new ATOM 0 HA ASP A 14 5.922 1.022 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.623 1.365 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.147 0.206 4.868 1.00 0.00 H new ATOM 192 N GLY A 15 7.158 3.894 4.140 1.00 0.00 N ATOM 193 CA GLY A 15 7.619 5.217 4.664 1.00 0.00 C ATOM 194 C GLY A 15 9.137 5.255 4.791 1.00 0.00 C ATOM 195 O GLY A 15 9.866 4.907 3.883 1.00 0.00 O ATOM 0 H GLY A 15 6.937 3.880 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.286 6.012 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.164 5.405 5.637 1.00 0.00 H new ATOM 199 N GLY A 16 9.613 5.680 5.928 1.00 0.00 N ATOM 200 CA GLY A 16 11.085 5.754 6.151 1.00 0.00 C ATOM 201 C GLY A 16 11.728 6.824 5.274 1.00 0.00 C ATOM 202 O GLY A 16 12.335 7.754 5.767 1.00 0.00 O ATOM 0 H GLY A 16 9.042 5.981 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.285 5.973 7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.536 4.785 5.936 1.00 0.00 H new ATOM 206 N GLU A 17 11.640 6.692 3.983 1.00 0.00 N ATOM 207 CA GLU A 17 12.297 7.698 3.109 1.00 0.00 C ATOM 208 C GLU A 17 11.321 8.284 2.096 1.00 0.00 C ATOM 209 O GLU A 17 10.455 7.609 1.573 1.00 0.00 O ATOM 210 CB GLU A 17 13.423 7.027 2.345 1.00 0.00 C ATOM 211 CG GLU A 17 14.602 6.765 3.283 1.00 0.00 C ATOM 212 CD GLU A 17 15.409 5.572 2.768 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.239 5.222 1.611 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.182 5.027 3.538 1.00 0.00 O ATOM 0 H GLU A 17 11.148 5.941 3.499 1.00 0.00 H new ATOM 0 HA GLU A 17 12.670 8.502 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.074 6.089 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.740 7.660 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.237 7.649 3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.240 6.565 4.292 1.00 0.00 H new ATOM 221 N CYS A 18 11.475 9.544 1.811 1.00 0.00 N ATOM 222 CA CYS A 18 10.569 10.205 0.814 1.00 0.00 C ATOM 223 C CYS A 18 11.142 10.045 -0.594 1.00 0.00 C ATOM 224 O CYS A 18 10.435 10.176 -1.574 1.00 0.00 O ATOM 225 CB CYS A 18 10.445 11.711 1.084 1.00 0.00 C ATOM 226 SG CYS A 18 8.968 12.050 2.080 1.00 0.00 S ATOM 0 H CYS A 18 12.186 10.150 2.220 1.00 0.00 H new ATOM 0 HA CYS A 18 9.592 9.730 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.333 12.069 1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.388 12.253 0.140 1.00 0.00 H new ATOM 0 HG CYS A 18 9.132 13.161 2.735 1.00 0.00 H new ATOM 232 N PHE A 19 12.413 9.786 -0.715 1.00 0.00 N ATOM 233 CA PHE A 19 12.996 9.652 -2.083 1.00 0.00 C ATOM 234 C PHE A 19 12.912 8.213 -2.548 1.00 0.00 C ATOM 235 O PHE A 19 13.499 7.828 -3.541 1.00 0.00 O ATOM 236 CB PHE A 19 14.434 10.164 -2.109 1.00 0.00 C ATOM 237 CG PHE A 19 14.355 11.664 -2.125 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.472 12.295 -3.009 1.00 0.00 C ATOM 239 CD2 PHE A 19 15.108 12.422 -1.226 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.333 13.679 -2.986 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.978 13.814 -1.216 1.00 0.00 C ATOM 242 CZ PHE A 19 14.084 14.437 -2.093 1.00 0.00 C ATOM 0 H PHE A 19 13.066 9.663 0.058 1.00 0.00 H new ATOM 0 HA PHE A 19 12.417 10.265 -2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.986 9.814 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.961 9.794 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.898 11.707 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.787 11.935 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.643 14.164 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.567 14.407 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.976 15.511 -2.077 1.00 0.00 H new ATOM 252 N GLN A 20 12.131 7.433 -1.876 1.00 0.00 N ATOM 253 CA GLN A 20 11.935 6.039 -2.310 1.00 0.00 C ATOM 254 C GLN A 20 10.617 6.031 -3.071 1.00 0.00 C ATOM 255 O GLN A 20 9.683 6.701 -2.678 1.00 0.00 O ATOM 256 CB GLN A 20 11.849 5.115 -1.093 1.00 0.00 C ATOM 257 CG GLN A 20 12.744 3.894 -1.316 1.00 0.00 C ATOM 258 CD GLN A 20 13.011 3.192 0.019 1.00 0.00 C ATOM 259 OE1 GLN A 20 13.903 2.374 0.117 1.00 0.00 O ATOM 260 NE2 GLN A 20 12.273 3.476 1.060 1.00 0.00 N ATOM 0 H GLN A 20 11.616 7.704 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 20 12.761 5.686 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.161 5.649 -0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.818 4.799 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.265 3.204 -2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.686 4.201 -1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.523 4.163 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.447 3.011 1.951 1.00 0.00 H new ATOM 269 N PRO A 21 10.569 5.299 -4.139 1.00 0.00 N ATOM 270 CA PRO A 21 9.359 5.233 -4.960 1.00 0.00 C ATOM 271 C PRO A 21 8.274 4.513 -4.176 1.00 0.00 C ATOM 272 O PRO A 21 8.508 3.461 -3.612 1.00 0.00 O ATOM 273 CB PRO A 21 9.808 4.455 -6.203 1.00 0.00 C ATOM 274 CG PRO A 21 11.074 3.672 -5.787 1.00 0.00 C ATOM 275 CD PRO A 21 11.681 4.450 -4.604 1.00 0.00 C ATOM 0 HA PRO A 21 8.940 6.201 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.025 3.777 -6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.023 5.132 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.824 2.651 -5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.781 3.604 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.028 3.779 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.538 5.047 -4.915 1.00 0.00 H new ATOM 283 N SER A 22 7.094 5.065 -4.098 1.00 0.00 N ATOM 284 CA SER A 22 6.054 4.382 -3.311 1.00 0.00 C ATOM 285 C SER A 22 5.076 3.714 -4.260 1.00 0.00 C ATOM 286 O SER A 22 4.301 4.364 -4.925 1.00 0.00 O ATOM 287 CB SER A 22 5.328 5.424 -2.497 1.00 0.00 C ATOM 288 OG SER A 22 5.229 4.976 -1.152 1.00 0.00 O ATOM 0 H SER A 22 6.817 5.942 -4.539 1.00 0.00 H new ATOM 0 HA SER A 22 6.496 3.629 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.862 6.373 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.334 5.599 -2.910 1.00 0.00 H new ATOM 0 HG SER A 22 4.692 5.612 -0.634 1.00 0.00 H new ATOM 294 N LYS A 23 5.108 2.415 -4.310 1.00 0.00 N ATOM 295 CA LYS A 23 4.187 1.674 -5.196 1.00 0.00 C ATOM 296 C LYS A 23 3.864 0.331 -4.556 1.00 0.00 C ATOM 297 O LYS A 23 4.733 -0.364 -4.071 1.00 0.00 O ATOM 298 CB LYS A 23 4.850 1.414 -6.541 1.00 0.00 C ATOM 299 CG LYS A 23 5.419 2.710 -7.120 1.00 0.00 C ATOM 300 CD LYS A 23 6.896 2.841 -6.742 1.00 0.00 C ATOM 301 CE LYS A 23 7.748 2.023 -7.714 1.00 0.00 C ATOM 302 NZ LYS A 23 8.657 1.128 -6.944 1.00 0.00 N ATOM 0 H LYS A 23 5.743 1.831 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 23 3.282 2.263 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.648 0.681 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.125 0.988 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.310 2.713 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.860 3.565 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.198 3.888 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.053 2.491 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.107 1.432 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.330 2.688 -8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.466 0.860 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.000 1.626 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.140 0.273 -6.656 1.00 0.00 H new ATOM 316 N PHE A 24 2.624 -0.037 -4.556 1.00 0.00 N ATOM 317 CA PHE A 24 2.233 -1.343 -3.952 1.00 0.00 C ATOM 318 C PHE A 24 1.161 -1.991 -4.816 1.00 0.00 C ATOM 319 O PHE A 24 0.479 -1.330 -5.584 1.00 0.00 O ATOM 320 CB PHE A 24 1.694 -1.172 -2.522 1.00 0.00 C ATOM 321 CG PHE A 24 1.703 0.277 -2.128 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.918 0.949 -2.025 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.502 0.945 -1.871 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.945 2.295 -1.666 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.528 2.295 -1.512 1.00 0.00 C ATOM 326 CZ PHE A 24 1.752 2.967 -1.412 1.00 0.00 C ATOM 0 H PHE A 24 1.856 0.507 -4.948 1.00 0.00 H new ATOM 0 HA PHE A 24 3.122 -1.972 -3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.680 -1.566 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.303 -1.748 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.842 0.426 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.439 0.421 -1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.888 2.815 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.395 2.819 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.771 4.011 -1.137 1.00 0.00 H new ATOM 336 N LYS A 25 1.001 -3.280 -4.697 1.00 0.00 N ATOM 337 CA LYS A 25 -0.028 -3.968 -5.514 1.00 0.00 C ATOM 338 C LYS A 25 -1.111 -4.491 -4.579 1.00 0.00 C ATOM 339 O LYS A 25 -0.837 -4.965 -3.491 1.00 0.00 O ATOM 340 CB LYS A 25 0.610 -5.138 -6.270 1.00 0.00 C ATOM 341 CG LYS A 25 1.679 -4.606 -7.228 1.00 0.00 C ATOM 342 CD LYS A 25 3.048 -5.148 -6.814 1.00 0.00 C ATOM 343 CE LYS A 25 3.866 -5.474 -8.065 1.00 0.00 C ATOM 344 NZ LYS A 25 4.909 -6.484 -7.725 1.00 0.00 N ATOM 0 H LYS A 25 1.537 -3.881 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.458 -3.275 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.055 -5.840 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.152 -5.684 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.450 -4.908 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.687 -3.516 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.573 -4.413 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.927 -6.042 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.214 -5.858 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.333 -4.569 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.466 -6.707 -8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.537 -6.101 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.452 -7.350 -7.373 1.00 0.00 H new ATOM 358 N ILE A 26 -2.344 -4.375 -4.980 1.00 0.00 N ATOM 359 CA ILE A 26 -3.451 -4.828 -4.108 1.00 0.00 C ATOM 360 C ILE A 26 -4.037 -6.125 -4.642 1.00 0.00 C ATOM 361 O ILE A 26 -3.991 -6.405 -5.823 1.00 0.00 O ATOM 362 CB ILE A 26 -4.535 -3.754 -4.084 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.878 -2.376 -3.969 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.457 -3.986 -2.887 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.955 -1.309 -3.784 1.00 0.00 C ATOM 0 H ILE A 26 -2.630 -3.984 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.072 -4.999 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.120 -3.803 -5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.188 -2.360 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.293 -2.165 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.231 -3.219 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.922 -4.969 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.877 -3.936 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.486 -0.329 -3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.628 -1.319 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.521 -1.517 -2.876 1.00 0.00 H new ATOM 377 N HIS A 27 -4.592 -6.915 -3.775 1.00 0.00 N ATOM 378 CA HIS A 27 -5.195 -8.200 -4.213 1.00 0.00 C ATOM 379 C HIS A 27 -6.473 -8.471 -3.422 1.00 0.00 C ATOM 380 O HIS A 27 -6.446 -8.695 -2.222 1.00 0.00 O ATOM 381 CB HIS A 27 -4.208 -9.341 -3.971 1.00 0.00 C ATOM 382 CG HIS A 27 -2.836 -8.904 -4.384 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.198 -7.833 -3.786 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.973 -9.369 -5.344 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.008 -7.686 -4.386 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.815 -8.597 -5.344 1.00 0.00 N ATOM 0 H HIS A 27 -4.655 -6.726 -2.775 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.430 -8.135 -5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.211 -9.623 -2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.507 -10.223 -4.538 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.163 -10.206 -5.999 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.291 -6.922 -4.126 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.003 -8.703 -5.944 1.00 0.00 H new ATOM 394 N ALA A 28 -7.591 -8.457 -4.087 1.00 0.00 N ATOM 395 CA ALA A 28 -8.879 -8.723 -3.392 1.00 0.00 C ATOM 396 C ALA A 28 -9.345 -10.152 -3.703 1.00 0.00 C ATOM 397 O ALA A 28 -9.195 -10.631 -4.806 1.00 0.00 O ATOM 398 CB ALA A 28 -9.928 -7.729 -3.890 1.00 0.00 C ATOM 0 H ALA A 28 -7.669 -8.272 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.745 -8.613 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.876 -7.917 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.598 -6.713 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.060 -7.847 -4.966 1.00 0.00 H new ATOM 404 N VAL A 29 -9.913 -10.838 -2.741 1.00 0.00 N ATOM 405 CA VAL A 29 -10.397 -12.228 -2.995 1.00 0.00 C ATOM 406 C VAL A 29 -11.843 -12.344 -2.501 1.00 0.00 C ATOM 407 O VAL A 29 -12.151 -12.064 -1.360 1.00 0.00 O ATOM 408 CB VAL A 29 -9.499 -13.240 -2.270 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.287 -14.517 -1.945 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.322 -13.602 -3.176 1.00 0.00 C ATOM 0 H VAL A 29 -10.062 -10.494 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.359 -12.445 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.142 -12.795 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.637 -15.225 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.133 -14.269 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.652 -14.965 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.679 -14.321 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.696 -14.041 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.750 -12.703 -3.406 1.00 0.00 H new ATOM 420 N ASP A 30 -12.722 -12.766 -3.361 1.00 0.00 N ATOM 421 CA ASP A 30 -14.153 -12.912 -2.980 1.00 0.00 C ATOM 422 C ASP A 30 -14.452 -14.405 -2.771 1.00 0.00 C ATOM 423 O ASP A 30 -13.549 -15.216 -2.803 1.00 0.00 O ATOM 424 CB ASP A 30 -15.014 -12.312 -4.104 1.00 0.00 C ATOM 425 CG ASP A 30 -15.375 -13.379 -5.145 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.567 -14.268 -5.359 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.452 -13.287 -5.708 1.00 0.00 O ATOM 0 H ASP A 30 -12.508 -13.020 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.379 -12.386 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.925 -11.887 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.474 -11.496 -4.585 1.00 0.00 H new ATOM 432 N PRO A 31 -15.702 -14.729 -2.551 1.00 0.00 N ATOM 433 CA PRO A 31 -16.118 -16.122 -2.322 1.00 0.00 C ATOM 434 C PRO A 31 -16.235 -16.898 -3.643 1.00 0.00 C ATOM 435 O PRO A 31 -16.917 -17.900 -3.713 1.00 0.00 O ATOM 436 CB PRO A 31 -17.487 -15.979 -1.650 1.00 0.00 C ATOM 437 CG PRO A 31 -18.022 -14.581 -2.038 1.00 0.00 C ATOM 438 CD PRO A 31 -16.809 -13.753 -2.504 1.00 0.00 C ATOM 0 HA PRO A 31 -15.401 -16.680 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.167 -16.762 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.400 -16.075 -0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.765 -14.658 -2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.511 -14.105 -1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.985 -13.303 -3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.593 -12.939 -1.812 1.00 0.00 H new ATOM 446 N ASP A 32 -15.576 -16.463 -4.688 1.00 0.00 N ATOM 447 CA ASP A 32 -15.677 -17.216 -5.971 1.00 0.00 C ATOM 448 C ASP A 32 -14.281 -17.656 -6.411 1.00 0.00 C ATOM 449 O ASP A 32 -14.073 -18.056 -7.540 1.00 0.00 O ATOM 450 CB ASP A 32 -16.287 -16.316 -7.047 1.00 0.00 C ATOM 451 CG ASP A 32 -16.394 -17.094 -8.360 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.317 -17.882 -8.486 1.00 0.00 O ATOM 453 OD2 ASP A 32 -15.549 -16.891 -9.217 1.00 0.00 O ATOM 0 H ASP A 32 -14.983 -15.633 -4.708 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.310 -18.092 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.273 -15.973 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.670 -15.428 -7.187 1.00 0.00 H new ATOM 458 N GLY A 33 -13.314 -17.558 -5.540 1.00 0.00 N ATOM 459 CA GLY A 33 -11.930 -17.940 -5.924 1.00 0.00 C ATOM 460 C GLY A 33 -11.443 -16.871 -6.882 1.00 0.00 C ATOM 461 O GLY A 33 -10.722 -17.126 -7.825 1.00 0.00 O ATOM 0 H GLY A 33 -13.425 -17.230 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.285 -17.999 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.915 -18.922 -6.397 1.00 0.00 H new ATOM 465 N VAL A 34 -11.883 -15.666 -6.653 1.00 0.00 N ATOM 466 CA VAL A 34 -11.514 -14.548 -7.547 1.00 0.00 C ATOM 467 C VAL A 34 -11.490 -13.254 -6.740 1.00 0.00 C ATOM 468 O VAL A 34 -11.772 -13.241 -5.559 1.00 0.00 O ATOM 469 CB VAL A 34 -12.577 -14.432 -8.645 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.916 -13.973 -9.940 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.244 -15.795 -8.869 1.00 0.00 C ATOM 0 H VAL A 34 -12.490 -15.411 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.533 -14.725 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.333 -13.708 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.669 -13.889 -10.723 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.445 -13.002 -9.784 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.160 -14.699 -10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.999 -15.707 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.491 -16.523 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.717 -16.125 -7.944 1.00 0.00 H new ATOM 481 N HIS A 35 -11.186 -12.162 -7.373 1.00 0.00 N ATOM 482 CA HIS A 35 -11.181 -10.868 -6.647 1.00 0.00 C ATOM 483 C HIS A 35 -12.544 -10.217 -6.875 1.00 0.00 C ATOM 484 O HIS A 35 -12.657 -9.127 -7.397 1.00 0.00 O ATOM 485 CB HIS A 35 -10.054 -9.979 -7.183 1.00 0.00 C ATOM 486 CG HIS A 35 -8.792 -10.795 -7.326 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.598 -10.434 -6.717 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.519 -11.954 -8.013 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.676 -11.357 -7.049 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.184 -12.304 -7.837 1.00 0.00 N ATOM 0 H HIS A 35 -10.941 -12.109 -8.362 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.008 -11.013 -5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.337 -9.556 -8.147 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.884 -9.142 -6.506 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.447 -9.617 -6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.234 -12.510 -8.601 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.649 -11.333 -6.717 1.00 0.00 H new ATOM 498 N ARG A 36 -13.582 -10.914 -6.504 1.00 0.00 N ATOM 499 CA ARG A 36 -14.960 -10.405 -6.702 1.00 0.00 C ATOM 500 C ARG A 36 -15.223 -10.257 -8.198 1.00 0.00 C ATOM 501 O ARG A 36 -15.396 -9.165 -8.703 1.00 0.00 O ATOM 502 CB ARG A 36 -15.135 -9.052 -6.023 1.00 0.00 C ATOM 503 CG ARG A 36 -16.609 -8.667 -6.106 1.00 0.00 C ATOM 504 CD ARG A 36 -16.796 -7.215 -5.660 1.00 0.00 C ATOM 505 NE ARG A 36 -18.248 -6.936 -5.467 1.00 0.00 N ATOM 506 CZ ARG A 36 -19.015 -6.703 -6.499 1.00 0.00 C ATOM 507 NH1 ARG A 36 -18.742 -5.714 -7.304 1.00 0.00 N ATOM 508 NH2 ARG A 36 -20.054 -7.460 -6.724 1.00 0.00 N ATOM 0 H ARG A 36 -13.528 -11.832 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.666 -11.109 -6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.813 -9.104 -4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.517 -8.298 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.969 -8.792 -7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.202 -9.329 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.254 -7.036 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.381 -6.538 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.644 -6.927 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.930 -5.122 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.341 -5.532 -8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -20.267 -8.234 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -20.653 -7.278 -7.530 1.00 0.00 H new ATOM 522 N THR A 37 -15.251 -11.346 -8.916 1.00 0.00 N ATOM 523 CA THR A 37 -15.499 -11.252 -10.381 1.00 0.00 C ATOM 524 C THR A 37 -14.613 -10.142 -10.964 1.00 0.00 C ATOM 525 O THR A 37 -15.009 -8.995 -11.013 1.00 0.00 O ATOM 526 CB THR A 37 -16.971 -10.910 -10.625 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.193 -9.536 -10.336 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.857 -11.772 -9.725 1.00 0.00 C ATOM 0 H THR A 37 -15.114 -12.290 -8.555 1.00 0.00 H new ATOM 0 HA THR A 37 -15.264 -12.203 -10.860 1.00 0.00 H new ATOM 0 HB THR A 37 -17.219 -11.107 -11.668 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.359 -9.129 -10.022 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.904 -11.526 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.689 -12.825 -9.950 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.610 -11.581 -8.681 1.00 0.00 H new ATOM 536 N ASP A 38 -13.416 -10.467 -11.396 1.00 0.00 N ATOM 537 CA ASP A 38 -12.513 -9.421 -11.963 1.00 0.00 C ATOM 538 C ASP A 38 -13.318 -8.451 -12.830 1.00 0.00 C ATOM 539 O ASP A 38 -14.373 -8.783 -13.332 1.00 0.00 O ATOM 540 CB ASP A 38 -11.433 -10.089 -12.816 1.00 0.00 C ATOM 541 CG ASP A 38 -10.062 -9.521 -12.442 1.00 0.00 C ATOM 542 OD1 ASP A 38 -9.936 -8.307 -12.399 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.162 -10.309 -12.203 1.00 0.00 O ATOM 0 H ASP A 38 -13.029 -11.410 -11.379 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.047 -8.869 -11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.446 -11.168 -12.659 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.633 -9.918 -13.874 1.00 0.00 H new ATOM 548 N GLY A 39 -12.831 -7.252 -13.008 1.00 0.00 N ATOM 549 CA GLY A 39 -13.572 -6.264 -13.842 1.00 0.00 C ATOM 550 C GLY A 39 -14.606 -5.527 -12.983 1.00 0.00 C ATOM 551 O GLY A 39 -14.831 -4.345 -13.154 1.00 0.00 O ATOM 0 H GLY A 39 -11.953 -6.915 -12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.875 -5.550 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.069 -6.773 -14.668 1.00 0.00 H new ATOM 555 N GLY A 40 -15.239 -6.208 -12.061 1.00 0.00 N ATOM 556 CA GLY A 40 -16.257 -5.531 -11.207 1.00 0.00 C ATOM 557 C GLY A 40 -15.882 -5.687 -9.730 1.00 0.00 C ATOM 558 O GLY A 40 -16.629 -6.239 -8.947 1.00 0.00 O ATOM 0 H GLY A 40 -15.095 -7.198 -11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.318 -4.474 -11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.242 -5.961 -11.389 1.00 0.00 H new ATOM 562 N ASP A 41 -14.731 -5.203 -9.340 1.00 0.00 N ATOM 563 CA ASP A 41 -14.317 -5.328 -7.912 1.00 0.00 C ATOM 564 C ASP A 41 -14.613 -4.013 -7.191 1.00 0.00 C ATOM 565 O ASP A 41 -14.126 -2.968 -7.577 1.00 0.00 O ATOM 566 CB ASP A 41 -12.809 -5.590 -7.824 1.00 0.00 C ATOM 567 CG ASP A 41 -12.364 -6.536 -8.945 1.00 0.00 C ATOM 568 OD1 ASP A 41 -12.739 -6.302 -10.081 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.642 -7.472 -8.648 1.00 0.00 O ATOM 0 H ASP A 41 -14.063 -4.728 -9.947 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.864 -6.153 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.265 -4.648 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.565 -6.025 -6.855 1.00 0.00 H new ATOM 574 N GLY A 42 -15.381 -4.047 -6.137 1.00 0.00 N ATOM 575 CA GLY A 42 -15.660 -2.785 -5.397 1.00 0.00 C ATOM 576 C GLY A 42 -14.367 -2.358 -4.706 1.00 0.00 C ATOM 577 O GLY A 42 -14.275 -2.331 -3.494 1.00 0.00 O ATOM 0 H GLY A 42 -15.823 -4.885 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.003 -2.008 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.453 -2.938 -4.665 1.00 0.00 H new ATOM 581 N PHE A 43 -13.355 -2.062 -5.473 1.00 0.00 N ATOM 582 CA PHE A 43 -12.049 -1.680 -4.873 1.00 0.00 C ATOM 583 C PHE A 43 -11.801 -0.177 -4.999 1.00 0.00 C ATOM 584 O PHE A 43 -11.860 0.393 -6.070 1.00 0.00 O ATOM 585 CB PHE A 43 -10.932 -2.424 -5.603 1.00 0.00 C ATOM 586 CG PHE A 43 -10.046 -3.131 -4.609 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.808 -2.570 -3.347 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.454 -4.349 -4.957 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.978 -3.234 -2.437 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.625 -5.012 -4.047 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.386 -4.455 -2.786 1.00 0.00 C ATOM 0 H PHE A 43 -13.378 -2.069 -6.493 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.066 -1.943 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.359 -3.146 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.342 -1.723 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.264 -1.629 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.637 -4.779 -5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.793 -2.804 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.170 -5.953 -4.317 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.746 -4.966 -2.082 1.00 0.00 H new ATOM 601 N VAL A 44 -11.486 0.450 -3.906 1.00 0.00 N ATOM 602 CA VAL A 44 -11.181 1.906 -3.923 1.00 0.00 C ATOM 603 C VAL A 44 -9.964 2.138 -3.026 1.00 0.00 C ATOM 604 O VAL A 44 -10.023 1.956 -1.826 1.00 0.00 O ATOM 605 CB VAL A 44 -12.394 2.713 -3.409 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.235 1.852 -2.467 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.926 3.968 -2.654 1.00 0.00 C ATOM 0 H VAL A 44 -11.425 0.011 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.969 2.239 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.993 3.012 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.088 2.430 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.591 0.971 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.627 1.541 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.794 4.524 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.312 3.673 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.340 4.598 -3.323 1.00 0.00 H new ATOM 617 N VAL A 45 -8.862 2.537 -3.593 1.00 0.00 N ATOM 618 CA VAL A 45 -7.653 2.775 -2.763 1.00 0.00 C ATOM 619 C VAL A 45 -7.181 4.206 -2.958 1.00 0.00 C ATOM 620 O VAL A 45 -7.400 4.812 -3.988 1.00 0.00 O ATOM 621 CB VAL A 45 -6.551 1.797 -3.160 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.339 1.987 -2.246 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.078 0.368 -3.019 1.00 0.00 C ATOM 0 H VAL A 45 -8.747 2.708 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.896 2.619 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.253 1.981 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.554 1.287 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.968 3.007 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.630 1.802 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.296 -0.338 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.372 0.189 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.941 0.233 -3.671 1.00 0.00 H new ATOM 633 N THR A 46 -6.551 4.760 -1.968 1.00 0.00 N ATOM 634 CA THR A 46 -6.088 6.160 -2.092 1.00 0.00 C ATOM 635 C THR A 46 -4.987 6.453 -1.077 1.00 0.00 C ATOM 636 O THR A 46 -5.131 6.220 0.108 1.00 0.00 O ATOM 637 CB THR A 46 -7.269 7.102 -1.842 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.354 6.360 -1.296 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.693 7.751 -3.163 1.00 0.00 C ATOM 0 H THR A 46 -6.337 4.305 -1.081 1.00 0.00 H new ATOM 0 HA THR A 46 -5.689 6.313 -3.095 1.00 0.00 H new ATOM 0 HB THR A 46 -6.976 7.882 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.112 6.960 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.534 8.422 -2.986 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.858 8.317 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.990 6.976 -3.870 1.00 0.00 H new ATOM 647 N ILE A 47 -3.903 7.000 -1.541 1.00 0.00 N ATOM 648 CA ILE A 47 -2.788 7.368 -0.633 1.00 0.00 C ATOM 649 C ILE A 47 -2.577 8.867 -0.716 1.00 0.00 C ATOM 650 O ILE A 47 -2.877 9.493 -1.712 1.00 0.00 O ATOM 651 CB ILE A 47 -1.476 6.688 -1.052 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.399 5.275 -0.455 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.279 7.535 -0.564 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.045 4.993 -0.018 1.00 0.00 C ATOM 0 H ILE A 47 -3.740 7.211 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.048 7.048 0.376 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.443 6.609 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.073 5.189 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.720 4.538 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.653 7.053 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.331 8.529 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.313 7.621 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.107 3.991 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.707 5.063 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.348 5.724 0.731 1.00 0.00 H new ATOM 666 N GLU A 48 -2.014 9.439 0.299 1.00 0.00 N ATOM 667 CA GLU A 48 -1.734 10.891 0.222 1.00 0.00 C ATOM 668 C GLU A 48 -0.888 11.340 1.416 1.00 0.00 C ATOM 669 O GLU A 48 -0.885 10.729 2.468 1.00 0.00 O ATOM 670 CB GLU A 48 -3.043 11.690 0.180 1.00 0.00 C ATOM 671 CG GLU A 48 -4.206 10.834 0.692 1.00 0.00 C ATOM 672 CD GLU A 48 -5.262 11.739 1.328 1.00 0.00 C ATOM 673 OE1 GLU A 48 -5.914 12.462 0.593 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.400 11.693 2.539 1.00 0.00 O ATOM 0 H GLU A 48 -1.739 8.976 1.165 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.176 11.081 -0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.948 12.589 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.245 12.017 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.644 10.267 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.845 10.110 1.422 1.00 0.00 H new ATOM 681 N GLY A 49 -0.172 12.417 1.246 1.00 0.00 N ATOM 682 CA GLY A 49 0.687 12.953 2.336 1.00 0.00 C ATOM 683 C GLY A 49 1.008 14.419 2.025 1.00 0.00 C ATOM 684 O GLY A 49 0.423 15.001 1.135 1.00 0.00 O ATOM 0 H GLY A 49 -0.147 12.957 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.176 12.872 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.606 12.372 2.414 1.00 0.00 H new ATOM 688 N PRO A 50 1.930 14.973 2.768 1.00 0.00 N ATOM 689 CA PRO A 50 2.350 16.374 2.589 1.00 0.00 C ATOM 690 C PRO A 50 3.272 16.505 1.371 1.00 0.00 C ATOM 691 O PRO A 50 4.460 16.728 1.500 1.00 0.00 O ATOM 692 CB PRO A 50 3.099 16.691 3.887 1.00 0.00 C ATOM 693 CG PRO A 50 3.551 15.331 4.474 1.00 0.00 C ATOM 694 CD PRO A 50 2.641 14.258 3.847 1.00 0.00 C ATOM 0 HA PRO A 50 1.518 17.054 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.957 17.335 3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.454 17.222 4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.598 15.136 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.461 15.329 5.560 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.221 13.422 3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.945 13.848 4.579 1.00 0.00 H new ATOM 702 N ALA A 51 2.733 16.365 0.188 1.00 0.00 N ATOM 703 CA ALA A 51 3.575 16.479 -1.035 1.00 0.00 C ATOM 704 C ALA A 51 2.684 16.858 -2.228 1.00 0.00 C ATOM 705 O ALA A 51 1.501 17.074 -2.063 1.00 0.00 O ATOM 706 CB ALA A 51 4.261 15.137 -1.293 1.00 0.00 C ATOM 0 H ALA A 51 1.745 16.177 0.018 1.00 0.00 H new ATOM 0 HA ALA A 51 4.334 17.250 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.880 15.211 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.887 14.878 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.506 14.364 -1.437 1.00 0.00 H new ATOM 712 N PRO A 52 3.280 16.943 -3.393 1.00 0.00 N ATOM 713 CA PRO A 52 2.558 17.311 -4.627 1.00 0.00 C ATOM 714 C PRO A 52 1.742 16.133 -5.169 1.00 0.00 C ATOM 715 O PRO A 52 0.532 16.197 -5.260 1.00 0.00 O ATOM 716 CB PRO A 52 3.678 17.697 -5.597 1.00 0.00 C ATOM 717 CG PRO A 52 4.963 17.010 -5.077 1.00 0.00 C ATOM 718 CD PRO A 52 4.721 16.678 -3.593 1.00 0.00 C ATOM 0 HA PRO A 52 1.837 18.113 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.445 17.369 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.804 18.779 -5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.175 16.105 -5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.825 17.667 -5.190 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.970 15.640 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.335 17.299 -2.941 1.00 0.00 H new ATOM 726 N VAL A 53 2.386 15.058 -5.529 1.00 0.00 N ATOM 727 CA VAL A 53 1.635 13.885 -6.064 1.00 0.00 C ATOM 728 C VAL A 53 1.228 12.986 -4.893 1.00 0.00 C ATOM 729 O VAL A 53 1.895 12.019 -4.587 1.00 0.00 O ATOM 730 CB VAL A 53 2.537 13.096 -7.016 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.754 11.921 -7.603 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.007 14.012 -8.147 1.00 0.00 C ATOM 0 H VAL A 53 3.398 14.940 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 53 0.749 14.224 -6.601 1.00 0.00 H new ATOM 0 HB VAL A 53 3.402 12.719 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.396 11.359 -8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.418 11.269 -6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.889 12.297 -8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.650 13.451 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.142 14.388 -8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.565 14.850 -7.729 1.00 0.00 H new ATOM 742 N ASP A 54 0.157 13.311 -4.211 1.00 0.00 N ATOM 743 CA ASP A 54 -0.249 12.482 -3.045 1.00 0.00 C ATOM 744 C ASP A 54 -1.294 11.417 -3.442 1.00 0.00 C ATOM 745 O ASP A 54 -1.158 10.272 -3.060 1.00 0.00 O ATOM 746 CB ASP A 54 -0.803 13.400 -1.946 1.00 0.00 C ATOM 747 CG ASP A 54 0.329 14.269 -1.387 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.415 13.745 -1.195 1.00 0.00 O ATOM 749 OD2 ASP A 54 0.092 15.444 -1.158 1.00 0.00 O ATOM 0 H ASP A 54 -0.446 14.109 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 54 0.626 11.949 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.595 14.031 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.246 12.804 -1.148 1.00 0.00 H new ATOM 754 N PRO A 55 -2.311 11.810 -4.178 1.00 0.00 N ATOM 755 CA PRO A 55 -3.387 10.884 -4.600 1.00 0.00 C ATOM 756 C PRO A 55 -2.993 10.106 -5.865 1.00 0.00 C ATOM 757 O PRO A 55 -2.969 10.656 -6.948 1.00 0.00 O ATOM 758 CB PRO A 55 -4.553 11.824 -4.914 1.00 0.00 C ATOM 759 CG PRO A 55 -3.929 13.209 -5.224 1.00 0.00 C ATOM 760 CD PRO A 55 -2.498 13.195 -4.651 1.00 0.00 C ATOM 0 HA PRO A 55 -3.613 10.135 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.128 11.458 -5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.239 11.888 -4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.913 13.393 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.518 14.007 -4.772 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.762 13.459 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.388 13.912 -3.837 1.00 0.00 H new ATOM 768 N VAL A 56 -2.681 8.837 -5.750 1.00 0.00 N ATOM 769 CA VAL A 56 -2.293 8.068 -6.956 1.00 0.00 C ATOM 770 C VAL A 56 -2.784 6.624 -6.865 1.00 0.00 C ATOM 771 O VAL A 56 -2.141 5.784 -6.268 1.00 0.00 O ATOM 772 CB VAL A 56 -0.790 8.026 -7.025 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.366 7.493 -8.396 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.218 9.430 -6.819 1.00 0.00 C ATOM 0 H VAL A 56 -2.680 8.311 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.732 8.548 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.409 7.371 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.722 7.460 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.767 6.489 -8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.750 8.150 -9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.870 9.391 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.594 10.094 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.522 9.807 -5.842 1.00 0.00 H new ATOM 784 N MET A 57 -3.890 6.310 -7.467 1.00 0.00 N ATOM 785 CA MET A 57 -4.361 4.899 -7.412 1.00 0.00 C ATOM 786 C MET A 57 -4.950 4.476 -8.762 1.00 0.00 C ATOM 787 O MET A 57 -5.677 5.213 -9.398 1.00 0.00 O ATOM 788 CB MET A 57 -5.393 4.738 -6.290 1.00 0.00 C ATOM 789 CG MET A 57 -6.708 5.408 -6.692 1.00 0.00 C ATOM 790 SD MET A 57 -6.570 7.199 -6.464 1.00 0.00 S ATOM 791 CE MET A 57 -8.136 7.652 -7.249 1.00 0.00 C ATOM 0 H MET A 57 -4.483 6.956 -7.988 1.00 0.00 H new ATOM 0 HA MET A 57 -3.512 4.250 -7.199 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.561 3.680 -6.087 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.015 5.183 -5.370 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.941 5.180 -7.732 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.527 5.016 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.258 8.735 -7.219 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.134 7.315 -8.286 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.961 7.179 -6.716 1.00 0.00 H new ATOM 801 N VAL A 58 -4.616 3.289 -9.211 1.00 0.00 N ATOM 802 CA VAL A 58 -5.130 2.805 -10.527 1.00 0.00 C ATOM 803 C VAL A 58 -5.570 1.338 -10.415 1.00 0.00 C ATOM 804 O VAL A 58 -5.121 0.602 -9.550 1.00 0.00 O ATOM 805 CB VAL A 58 -4.036 2.902 -11.591 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.657 3.344 -12.918 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.971 3.918 -11.165 1.00 0.00 C ATOM 0 H VAL A 58 -4.008 2.635 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.978 3.428 -10.810 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.567 1.925 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.879 3.414 -13.678 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.405 2.615 -13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.130 4.318 -12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.198 3.978 -11.931 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.432 4.897 -11.038 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.524 3.603 -10.222 1.00 0.00 H new ATOM 817 N ASP A 59 -6.439 0.909 -11.294 1.00 0.00 N ATOM 818 CA ASP A 59 -6.918 -0.505 -11.265 1.00 0.00 C ATOM 819 C ASP A 59 -6.327 -1.275 -12.455 1.00 0.00 C ATOM 820 O ASP A 59 -6.278 -0.781 -13.564 1.00 0.00 O ATOM 821 CB ASP A 59 -8.451 -0.516 -11.353 1.00 0.00 C ATOM 822 CG ASP A 59 -8.943 -1.891 -11.816 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.279 -2.869 -11.512 1.00 0.00 O ATOM 824 OD2 ASP A 59 -9.974 -1.943 -12.466 1.00 0.00 O ATOM 0 H ASP A 59 -6.840 1.483 -12.036 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.599 -0.982 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.880 -0.276 -10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.788 0.253 -12.048 1.00 0.00 H new ATOM 829 N ASN A 60 -5.874 -2.479 -12.226 1.00 0.00 N ATOM 830 CA ASN A 60 -5.281 -3.283 -13.337 1.00 0.00 C ATOM 831 C ASN A 60 -6.361 -4.106 -14.047 1.00 0.00 C ATOM 832 O ASN A 60 -6.195 -4.498 -15.184 1.00 0.00 O ATOM 833 CB ASN A 60 -4.217 -4.226 -12.772 1.00 0.00 C ATOM 834 CG ASN A 60 -2.933 -3.444 -12.493 1.00 0.00 C ATOM 835 OD1 ASN A 60 -2.714 -2.989 -11.387 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.067 -3.267 -13.453 1.00 0.00 N ATOM 0 H ASN A 60 -5.889 -2.942 -11.317 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.830 -2.600 -14.057 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.579 -4.690 -11.854 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.018 -5.031 -13.479 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.207 -2.747 -13.275 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.250 -3.648 -14.381 1.00 0.00 H new ATOM 843 N GLY A 61 -7.464 -4.371 -13.403 1.00 0.00 N ATOM 844 CA GLY A 61 -8.528 -5.161 -14.073 1.00 0.00 C ATOM 845 C GLY A 61 -8.236 -6.661 -13.937 1.00 0.00 C ATOM 846 O GLY A 61 -8.880 -7.482 -14.559 1.00 0.00 O ATOM 0 H GLY A 61 -7.671 -4.076 -12.449 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.497 -4.930 -13.630 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.586 -4.888 -15.127 1.00 0.00 H new ATOM 850 N ASP A 62 -7.272 -7.027 -13.132 1.00 0.00 N ATOM 851 CA ASP A 62 -6.951 -8.475 -12.970 1.00 0.00 C ATOM 852 C ASP A 62 -7.143 -8.891 -11.507 1.00 0.00 C ATOM 853 O ASP A 62 -6.463 -9.767 -11.010 1.00 0.00 O ATOM 854 CB ASP A 62 -5.499 -8.724 -13.382 1.00 0.00 C ATOM 855 CG ASP A 62 -4.562 -7.986 -12.423 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.014 -7.046 -11.790 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.408 -8.374 -12.339 1.00 0.00 O ATOM 0 H ASP A 62 -6.696 -6.389 -12.583 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.618 -9.062 -13.601 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.284 -9.792 -13.367 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.336 -8.380 -14.403 1.00 0.00 H new ATOM 862 N GLY A 63 -8.066 -8.280 -10.817 1.00 0.00 N ATOM 863 CA GLY A 63 -8.301 -8.652 -9.391 1.00 0.00 C ATOM 864 C GLY A 63 -7.246 -7.991 -8.493 1.00 0.00 C ATOM 865 O GLY A 63 -7.311 -8.066 -7.274 1.00 0.00 O ATOM 0 H GLY A 63 -8.668 -7.540 -11.177 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.299 -8.338 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.259 -9.735 -9.278 1.00 0.00 H new ATOM 869 N THR A 64 -6.278 -7.344 -9.087 1.00 0.00 N ATOM 870 CA THR A 64 -5.219 -6.674 -8.283 1.00 0.00 C ATOM 871 C THR A 64 -5.128 -5.203 -8.693 1.00 0.00 C ATOM 872 O THR A 64 -5.351 -4.854 -9.835 1.00 0.00 O ATOM 873 CB THR A 64 -3.875 -7.357 -8.534 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.687 -7.530 -9.932 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.855 -8.718 -7.840 1.00 0.00 C ATOM 0 H THR A 64 -6.177 -7.252 -10.098 1.00 0.00 H new ATOM 0 HA THR A 64 -5.467 -6.744 -7.224 1.00 0.00 H new ATOM 0 HB THR A 64 -3.072 -6.738 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.262 -6.904 -10.419 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.896 -9.204 -8.020 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.998 -8.582 -6.768 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.657 -9.340 -8.236 1.00 0.00 H new ATOM 883 N TYR A 65 -4.815 -4.335 -7.769 1.00 0.00 N ATOM 884 CA TYR A 65 -4.728 -2.887 -8.108 1.00 0.00 C ATOM 885 C TYR A 65 -3.364 -2.331 -7.705 1.00 0.00 C ATOM 886 O TYR A 65 -2.694 -2.866 -6.846 1.00 0.00 O ATOM 887 CB TYR A 65 -5.845 -2.147 -7.383 1.00 0.00 C ATOM 888 CG TYR A 65 -7.154 -2.715 -7.861 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.483 -4.046 -7.577 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.021 -1.928 -8.620 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.677 -4.586 -8.051 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.219 -2.464 -9.090 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.550 -3.796 -8.809 1.00 0.00 C ATOM 894 OH TYR A 65 -10.731 -4.330 -9.280 1.00 0.00 O ATOM 0 H TYR A 65 -4.616 -4.566 -6.796 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.841 -2.751 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.747 -2.268 -6.304 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.793 -1.078 -7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.811 -4.655 -6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.764 -0.903 -8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.929 -5.613 -7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.893 -1.852 -9.671 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.220 -3.648 -9.786 1.00 0.00 H new ATOM 904 N ASP A 66 -2.937 -1.266 -8.331 1.00 0.00 N ATOM 905 CA ASP A 66 -1.608 -0.699 -7.987 1.00 0.00 C ATOM 906 C ASP A 66 -1.754 0.775 -7.628 1.00 0.00 C ATOM 907 O ASP A 66 -2.361 1.545 -8.345 1.00 0.00 O ATOM 908 CB ASP A 66 -0.666 -0.838 -9.185 1.00 0.00 C ATOM 909 CG ASP A 66 -0.432 -2.319 -9.485 1.00 0.00 C ATOM 910 OD1 ASP A 66 -1.375 -3.084 -9.361 1.00 0.00 O ATOM 911 OD2 ASP A 66 0.686 -2.664 -9.832 1.00 0.00 O ATOM 0 H ASP A 66 -3.450 -0.770 -9.060 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.198 -1.240 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.095 -0.343 -10.057 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.283 -0.345 -8.973 1.00 0.00 H new ATOM 916 N VAL A 67 -1.192 1.175 -6.526 1.00 0.00 N ATOM 917 CA VAL A 67 -1.285 2.601 -6.122 1.00 0.00 C ATOM 918 C VAL A 67 0.148 3.132 -5.939 1.00 0.00 C ATOM 919 O VAL A 67 1.015 2.406 -5.490 1.00 0.00 O ATOM 920 CB VAL A 67 -2.094 2.694 -4.827 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.281 1.731 -4.905 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.238 2.299 -3.650 1.00 0.00 C ATOM 0 H VAL A 67 -0.671 0.575 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.791 3.204 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.440 3.720 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.861 1.793 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.913 2.000 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.915 0.712 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.824 2.369 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.890 1.274 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.380 2.968 -3.584 1.00 0.00 H new ATOM 932 N GLU A 68 0.432 4.367 -6.304 1.00 0.00 N ATOM 933 CA GLU A 68 1.851 4.849 -6.160 1.00 0.00 C ATOM 934 C GLU A 68 1.950 6.355 -5.925 1.00 0.00 C ATOM 935 O GLU A 68 1.480 7.148 -6.696 1.00 0.00 O ATOM 936 CB GLU A 68 2.625 4.578 -7.446 1.00 0.00 C ATOM 937 CG GLU A 68 2.443 3.128 -7.899 1.00 0.00 C ATOM 938 CD GLU A 68 1.182 3.013 -8.757 1.00 0.00 C ATOM 939 OE1 GLU A 68 1.135 3.653 -9.794 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.284 2.284 -8.364 1.00 0.00 O ATOM 0 H GLU A 68 -0.232 5.042 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 68 2.256 4.315 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.283 5.254 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.684 4.783 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.313 2.802 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.366 2.472 -7.032 1.00 0.00 H new ATOM 947 N PHE A 69 2.668 6.747 -4.925 1.00 0.00 N ATOM 948 CA PHE A 69 2.889 8.206 -4.682 1.00 0.00 C ATOM 949 C PHE A 69 4.393 8.405 -4.422 1.00 0.00 C ATOM 950 O PHE A 69 5.097 7.474 -4.058 1.00 0.00 O ATOM 951 CB PHE A 69 2.054 8.719 -3.488 1.00 0.00 C ATOM 952 CG PHE A 69 2.586 8.148 -2.217 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.575 6.767 -2.016 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.087 9.001 -1.232 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.067 6.241 -0.827 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.580 8.471 -0.043 1.00 0.00 C ATOM 957 CZ PHE A 69 3.566 7.085 0.151 1.00 0.00 C ATOM 0 H PHE A 69 3.119 6.124 -4.255 1.00 0.00 H new ATOM 0 HA PHE A 69 2.567 8.779 -5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.087 9.808 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.009 8.436 -3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.186 6.110 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.092 10.069 -1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.060 5.173 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.970 9.124 0.724 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.948 6.670 1.072 1.00 0.00 H new ATOM 967 N GLU A 70 4.913 9.586 -4.640 1.00 0.00 N ATOM 968 CA GLU A 70 6.377 9.796 -4.426 1.00 0.00 C ATOM 969 C GLU A 70 6.637 11.244 -3.965 1.00 0.00 C ATOM 970 O GLU A 70 6.524 12.166 -4.749 1.00 0.00 O ATOM 971 CB GLU A 70 7.109 9.536 -5.744 1.00 0.00 C ATOM 972 CG GLU A 70 8.586 9.915 -5.603 1.00 0.00 C ATOM 973 CD GLU A 70 9.035 10.682 -6.847 1.00 0.00 C ATOM 974 OE1 GLU A 70 8.308 10.661 -7.827 1.00 0.00 O ATOM 975 OE2 GLU A 70 10.100 11.279 -6.801 1.00 0.00 O ATOM 0 H GLU A 70 4.394 10.406 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 70 6.739 9.112 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.019 8.485 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.651 10.116 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.732 10.527 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.192 9.018 -5.477 1.00 0.00 H new ATOM 982 N PRO A 71 6.969 11.400 -2.702 1.00 0.00 N ATOM 983 CA PRO A 71 7.240 12.725 -2.098 1.00 0.00 C ATOM 984 C PRO A 71 8.661 13.223 -2.424 1.00 0.00 C ATOM 985 O PRO A 71 9.287 12.782 -3.368 1.00 0.00 O ATOM 986 CB PRO A 71 7.098 12.464 -0.596 1.00 0.00 C ATOM 987 CG PRO A 71 7.324 10.947 -0.389 1.00 0.00 C ATOM 988 CD PRO A 71 7.097 10.273 -1.755 1.00 0.00 C ATOM 0 HA PRO A 71 6.568 13.496 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.827 13.045 -0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.110 12.761 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.333 10.753 -0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.634 10.552 0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.930 9.623 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.199 9.655 -1.749 1.00 0.00 H new ATOM 996 N LYS A 72 9.162 14.150 -1.639 1.00 0.00 N ATOM 997 CA LYS A 72 10.535 14.704 -1.884 1.00 0.00 C ATOM 998 C LYS A 72 11.246 14.992 -0.546 1.00 0.00 C ATOM 999 O LYS A 72 12.302 14.458 -0.273 1.00 0.00 O ATOM 1000 CB LYS A 72 10.439 16.001 -2.700 1.00 0.00 C ATOM 1001 CG LYS A 72 9.073 16.659 -2.488 1.00 0.00 C ATOM 1002 CD LYS A 72 9.133 18.116 -2.951 1.00 0.00 C ATOM 1003 CE LYS A 72 7.755 18.552 -3.450 1.00 0.00 C ATOM 1004 NZ LYS A 72 7.916 19.467 -4.616 1.00 0.00 N ATOM 0 H LYS A 72 8.677 14.549 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 72 11.111 13.965 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.232 16.687 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.587 15.785 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.307 16.120 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.794 16.612 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.453 18.757 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.870 18.226 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.167 17.680 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.210 19.055 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.979 19.764 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.461 20.304 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.420 18.972 -5.379 1.00 0.00 H new ATOM 1018 N GLU A 73 10.691 15.840 0.285 1.00 0.00 N ATOM 1019 CA GLU A 73 11.351 16.169 1.581 1.00 0.00 C ATOM 1020 C GLU A 73 10.821 15.246 2.697 1.00 0.00 C ATOM 1021 O GLU A 73 10.759 14.047 2.531 1.00 0.00 O ATOM 1022 CB GLU A 73 11.054 17.637 1.899 1.00 0.00 C ATOM 1023 CG GLU A 73 9.539 17.856 1.907 1.00 0.00 C ATOM 1024 CD GLU A 73 9.219 19.203 2.557 1.00 0.00 C ATOM 1025 OE1 GLU A 73 10.153 19.914 2.892 1.00 0.00 O ATOM 1026 OE2 GLU A 73 8.046 19.503 2.707 1.00 0.00 O ATOM 0 H GLU A 73 9.806 16.319 0.118 1.00 0.00 H new ATOM 0 HA GLU A 73 12.428 16.016 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.477 17.904 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.523 18.284 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.152 17.831 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.048 17.051 2.454 1.00 0.00 H new ATOM 1033 N ALA A 74 10.440 15.787 3.832 1.00 0.00 N ATOM 1034 CA ALA A 74 9.922 14.928 4.938 1.00 0.00 C ATOM 1035 C ALA A 74 8.411 14.829 4.819 1.00 0.00 C ATOM 1036 O ALA A 74 7.735 15.803 4.555 1.00 0.00 O ATOM 1037 CB ALA A 74 10.305 15.542 6.283 1.00 0.00 C ATOM 0 H ALA A 74 10.467 16.786 4.037 1.00 0.00 H new ATOM 0 HA ALA A 74 10.356 13.931 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.927 14.915 7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.390 15.611 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.872 16.539 6.365 1.00 0.00 H new ATOM 1043 N GLY A 75 7.867 13.654 4.977 1.00 0.00 N ATOM 1044 CA GLY A 75 6.397 13.522 4.830 1.00 0.00 C ATOM 1045 C GLY A 75 5.900 12.232 5.470 1.00 0.00 C ATOM 1046 O GLY A 75 6.630 11.273 5.630 1.00 0.00 O ATOM 0 H GLY A 75 8.370 12.794 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.903 14.376 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.131 13.534 3.773 1.00 0.00 H new ATOM 1050 N ASP A 76 4.646 12.199 5.801 1.00 0.00 N ATOM 1051 CA ASP A 76 4.052 10.977 6.394 1.00 0.00 C ATOM 1052 C ASP A 76 3.018 10.472 5.407 1.00 0.00 C ATOM 1053 O ASP A 76 2.522 11.215 4.584 1.00 0.00 O ATOM 1054 CB ASP A 76 3.390 11.311 7.735 1.00 0.00 C ATOM 1055 CG ASP A 76 2.116 12.122 7.491 1.00 0.00 C ATOM 1056 OD1 ASP A 76 2.222 13.203 6.934 1.00 0.00 O ATOM 1057 OD2 ASP A 76 1.056 11.650 7.867 1.00 0.00 O ATOM 0 H ASP A 76 3.998 12.978 5.684 1.00 0.00 H new ATOM 0 HA ASP A 76 4.813 10.220 6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.152 10.393 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.079 11.877 8.361 1.00 0.00 H new ATOM 1062 N TYR A 77 2.716 9.217 5.441 1.00 0.00 N ATOM 1063 CA TYR A 77 1.746 8.691 4.454 1.00 0.00 C ATOM 1064 C TYR A 77 0.495 8.198 5.131 1.00 0.00 C ATOM 1065 O TYR A 77 0.533 7.494 6.114 1.00 0.00 O ATOM 1066 CB TYR A 77 2.333 7.502 3.707 1.00 0.00 C ATOM 1067 CG TYR A 77 3.721 7.807 3.242 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.106 9.123 2.996 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.611 6.758 3.019 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.391 9.395 2.522 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.894 7.023 2.544 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.288 8.343 2.293 1.00 0.00 C ATOM 1073 OH TYR A 77 7.559 8.608 1.824 1.00 0.00 O ATOM 0 H TYR A 77 3.092 8.536 6.100 1.00 0.00 H new ATOM 0 HA TYR A 77 1.518 9.511 3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.345 6.627 4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.703 7.255 2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.412 9.932 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.307 5.740 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.693 10.414 2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.584 6.211 2.370 1.00 0.00 H new ATOM 0 HH TYR A 77 7.866 9.468 2.179 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.610 8.511 4.551 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.895 8.016 5.075 1.00 0.00 C ATOM 1085 C VAL A 78 -2.485 7.167 3.973 1.00 0.00 C ATOM 1086 O VAL A 78 -2.599 7.596 2.831 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.821 9.172 5.418 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.682 10.263 4.359 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.268 8.672 5.464 1.00 0.00 C ATOM 0 H VAL A 78 -0.681 9.099 3.721 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.759 7.445 5.993 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.553 9.580 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.345 11.093 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.651 10.617 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.950 9.859 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.932 9.501 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.543 8.263 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.361 7.895 6.223 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.800 5.953 4.281 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.324 5.057 3.212 1.00 0.00 C ATOM 1101 C ILE A 79 -4.822 4.851 3.327 1.00 0.00 C ATOM 1102 O ILE A 79 -5.432 5.003 4.364 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.625 3.691 3.253 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.443 3.719 4.230 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.115 3.341 1.854 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.797 2.333 4.291 1.00 0.00 C ATOM 0 H ILE A 79 -2.722 5.539 5.210 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.115 5.549 2.262 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.341 2.941 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.710 4.459 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.784 4.017 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.618 2.371 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.955 3.300 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.408 4.102 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.043 2.353 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.532 1.604 4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.441 2.053 3.299 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.404 4.493 2.227 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.853 4.235 2.183 1.00 0.00 C ATOM 1120 C ASN A 80 -7.105 3.164 1.129 1.00 0.00 C ATOM 1121 O ASN A 80 -6.917 3.376 -0.048 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.596 5.505 1.797 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.982 6.707 2.520 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -6.365 7.552 1.902 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -7.128 6.820 3.812 1.00 0.00 N ATOM 0 H ASN A 80 -4.922 4.366 1.337 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.206 3.907 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.545 5.653 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.651 5.413 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.724 7.618 4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.646 6.111 4.331 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.538 2.023 1.546 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.825 0.926 0.590 1.00 0.00 C ATOM 1134 C LEU A 81 -9.073 0.242 1.091 1.00 0.00 C ATOM 1135 O LEU A 81 -9.146 -0.154 2.231 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.664 -0.061 0.546 1.00 0.00 C ATOM 1137 CG LEU A 81 -7.167 -1.417 0.074 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -6.038 -2.165 -0.616 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.632 -2.209 1.290 1.00 0.00 C ATOM 0 H LEU A 81 -7.710 1.794 2.525 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.961 1.311 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.888 0.305 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.213 -0.153 1.534 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.991 -1.288 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.398 -3.137 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.690 -1.589 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.215 -2.307 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.997 -3.185 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.798 -2.341 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.435 -1.668 1.791 1.00 0.00 H new ATOM 1151 N THR A 82 -10.063 0.138 0.267 1.00 0.00 N ATOM 1152 CA THR A 82 -11.338 -0.473 0.734 1.00 0.00 C ATOM 1153 C THR A 82 -11.908 -1.451 -0.287 1.00 0.00 C ATOM 1154 O THR A 82 -11.916 -1.202 -1.476 1.00 0.00 O ATOM 1155 CB THR A 82 -12.336 0.667 0.967 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.291 1.586 -0.118 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.973 1.403 2.254 1.00 0.00 C ATOM 0 H THR A 82 -10.053 0.445 -0.706 1.00 0.00 H new ATOM 0 HA THR A 82 -11.153 -1.037 1.648 1.00 0.00 H new ATOM 0 HB THR A 82 -13.339 0.248 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.810 2.386 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.682 2.214 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.011 0.709 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.967 1.813 2.167 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.414 -2.562 0.188 1.00 0.00 N ATOM 1166 CA LEU A 83 -13.021 -3.560 -0.749 1.00 0.00 C ATOM 1167 C LEU A 83 -14.301 -4.120 -0.126 1.00 0.00 C ATOM 1168 O LEU A 83 -14.321 -5.237 0.335 1.00 0.00 O ATOM 1169 CB LEU A 83 -12.037 -4.713 -1.008 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.498 -5.548 -2.219 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.664 -6.449 -1.810 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -12.961 -4.623 -3.344 1.00 0.00 C ATOM 0 H LEU A 83 -12.434 -2.821 1.174 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.249 -3.068 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.039 -4.314 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.969 -5.348 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.662 -6.156 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.987 -7.038 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.344 -7.118 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.493 -5.834 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.285 -5.220 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.792 -4.011 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.137 -3.977 -3.646 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.355 -3.331 -0.111 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.675 -3.759 0.470 1.00 0.00 C ATOM 1186 C ASP A 84 -17.295 -2.567 1.187 1.00 0.00 C ATOM 1187 O ASP A 84 -18.489 -2.503 1.402 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.539 -4.927 1.459 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.533 -6.258 0.702 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.155 -6.326 -0.345 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.909 -7.186 1.187 1.00 0.00 O ATOM 0 H ASP A 84 -15.355 -2.383 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.304 -4.105 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.619 -4.822 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.364 -4.908 2.172 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.476 -1.631 1.586 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.987 -0.448 2.321 1.00 0.00 C ATOM 1198 C GLY A 85 -16.080 -0.181 3.528 1.00 0.00 C ATOM 1199 O GLY A 85 -16.269 0.775 4.253 1.00 0.00 O ATOM 0 H GLY A 85 -15.468 -1.639 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.008 0.423 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.011 -0.623 2.651 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.083 -1.009 3.747 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.170 -0.782 4.893 1.00 0.00 C ATOM 1205 C ASP A 86 -12.744 -0.792 4.354 1.00 0.00 C ATOM 1206 O ASP A 86 -12.524 -1.083 3.198 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.342 -1.901 5.920 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.528 -1.296 7.311 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -13.549 -0.827 7.870 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.646 -1.311 7.798 1.00 0.00 O ATOM 0 H ASP A 86 -14.870 -1.828 3.177 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.391 0.169 5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.204 -2.516 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.470 -2.555 5.910 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.771 -0.484 5.159 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.377 -0.489 4.644 1.00 0.00 C ATOM 1217 C ASN A 87 -9.625 -1.670 5.224 1.00 0.00 C ATOM 1218 O ASN A 87 -10.006 -2.234 6.231 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.679 0.815 5.038 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.210 1.289 6.392 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.260 0.528 7.337 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.611 2.524 6.528 1.00 0.00 N ATOM 0 H ASN A 87 -11.877 -0.231 6.141 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.393 -0.573 3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.601 0.661 5.092 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.855 1.578 4.279 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.966 2.849 7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.569 3.164 5.735 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.564 -2.062 4.586 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.800 -3.222 5.098 1.00 0.00 C ATOM 1231 C VAL A 88 -7.162 -2.844 6.445 1.00 0.00 C ATOM 1232 O VAL A 88 -7.210 -1.703 6.860 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.740 -3.627 4.066 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.559 -4.330 4.743 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.388 -4.590 3.075 1.00 0.00 C ATOM 0 H VAL A 88 -8.195 -1.632 3.738 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.458 -4.076 5.257 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.367 -2.735 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.821 -4.607 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.102 -3.657 5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.913 -5.227 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.653 -4.893 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.750 -5.470 3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.224 -4.095 2.580 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.597 -3.792 7.149 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.000 -3.477 8.484 1.00 0.00 C ATOM 1247 C ASN A 89 -4.594 -2.886 8.341 1.00 0.00 C ATOM 1248 O ASN A 89 -3.775 -2.994 9.231 1.00 0.00 O ATOM 1249 CB ASN A 89 -5.930 -4.754 9.322 1.00 0.00 C ATOM 1250 CG ASN A 89 -7.332 -5.124 9.809 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -8.304 -4.929 9.108 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -7.478 -5.655 10.993 1.00 0.00 N ATOM 0 H ASN A 89 -6.523 -4.767 6.859 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.633 -2.737 8.975 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.513 -5.568 8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.265 -4.607 10.173 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.408 -5.906 11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.662 -5.819 11.582 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.310 -2.252 7.244 1.00 0.00 N ATOM 1260 CA GLY A 90 -2.962 -1.641 7.062 1.00 0.00 C ATOM 1261 C GLY A 90 -3.090 -0.412 6.162 1.00 0.00 C ATOM 1262 O GLY A 90 -2.151 -0.009 5.506 1.00 0.00 O ATOM 0 H GLY A 90 -4.952 -2.128 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.543 -1.358 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.278 -2.364 6.617 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.260 0.166 6.098 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.454 1.343 5.206 1.00 0.00 C ATOM 1268 C PHE A 91 -4.850 2.615 5.942 1.00 0.00 C ATOM 1269 O PHE A 91 -4.246 3.640 5.704 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.491 1.002 4.167 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.733 0.555 2.968 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.150 -0.710 2.960 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.581 1.412 1.884 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.414 -1.123 1.859 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.848 1.003 0.776 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.260 -0.269 0.761 1.00 0.00 C ATOM 0 H PHE A 91 -5.085 -0.125 6.622 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.490 1.556 4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.158 0.217 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.112 1.867 3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.271 -1.367 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.031 2.393 1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.960 -2.103 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.732 1.663 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.688 -0.590 -0.097 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.808 2.563 6.834 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.195 3.767 7.567 1.00 0.00 C ATOM 1288 C PRO A 92 -5.091 4.121 8.560 1.00 0.00 C ATOM 1289 O PRO A 92 -5.276 4.916 9.459 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.516 3.388 8.243 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.548 1.847 8.295 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.564 1.351 7.217 1.00 0.00 C ATOM 0 HA PRO A 92 -6.327 4.652 6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.576 3.812 9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.366 3.776 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.257 1.486 9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.554 1.473 8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.904 0.576 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.090 0.923 6.364 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.923 3.551 8.376 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.793 3.868 9.270 1.00 0.00 C ATOM 1302 C LYS A 93 -1.909 4.884 8.566 1.00 0.00 C ATOM 1303 O LYS A 93 -1.984 5.075 7.354 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.999 2.589 9.561 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.144 2.776 10.818 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.158 1.613 10.940 1.00 0.00 C ATOM 1307 CE LYS A 93 0.147 1.349 12.416 1.00 0.00 C ATOM 1308 NZ LYS A 93 0.114 -0.119 12.675 1.00 0.00 N ATOM 0 H LYS A 93 -3.715 2.878 7.638 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.151 4.277 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.682 1.751 9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.362 2.346 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.604 3.721 10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.781 2.821 11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.577 0.718 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.762 1.846 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.126 1.753 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.583 1.857 13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.321 -0.299 13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.829 -0.491 12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.827 -0.592 12.084 1.00 0.00 H new ATOM 1322 N THR A 94 -1.092 5.555 9.314 1.00 0.00 N ATOM 1323 CA THR A 94 -0.217 6.571 8.709 1.00 0.00 C ATOM 1324 C THR A 94 1.232 6.164 8.868 1.00 0.00 C ATOM 1325 O THR A 94 1.708 5.917 9.959 1.00 0.00 O ATOM 1326 CB THR A 94 -0.444 7.908 9.403 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.832 8.205 9.400 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.325 8.994 8.660 1.00 0.00 C ATOM 0 H THR A 94 -0.995 5.440 10.323 1.00 0.00 H new ATOM 0 HA THR A 94 -0.450 6.660 7.648 1.00 0.00 H new ATOM 0 HB THR A 94 -0.091 7.860 10.433 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.984 9.064 9.847 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.166 9.954 9.152 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.388 8.755 8.665 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.029 9.051 7.631 1.00 0.00 H new ATOM 1336 N VAL A 95 1.947 6.118 7.790 1.00 0.00 N ATOM 1337 CA VAL A 95 3.383 5.758 7.894 1.00 0.00 C ATOM 1338 C VAL A 95 4.173 7.065 7.854 1.00 0.00 C ATOM 1339 O VAL A 95 3.684 8.066 7.371 1.00 0.00 O ATOM 1340 CB VAL A 95 3.778 4.811 6.752 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.294 4.779 6.567 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.307 3.399 7.085 1.00 0.00 C ATOM 0 H VAL A 95 1.607 6.311 6.848 1.00 0.00 H new ATOM 0 HA VAL A 95 3.596 5.227 8.822 1.00 0.00 H new ATOM 0 HB VAL A 95 3.313 5.171 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.547 4.101 5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.653 5.781 6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.766 4.433 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.585 2.723 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.775 3.068 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.224 3.396 7.204 1.00 0.00 H new ATOM 1352 N THR A 96 5.356 7.105 8.404 1.00 0.00 N ATOM 1353 CA THR A 96 6.083 8.405 8.420 1.00 0.00 C ATOM 1354 C THR A 96 7.459 8.338 7.746 1.00 0.00 C ATOM 1355 O THR A 96 8.240 7.432 7.955 1.00 0.00 O ATOM 1356 CB THR A 96 6.264 8.848 9.873 1.00 0.00 C ATOM 1357 OG1 THR A 96 4.991 8.946 10.497 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.960 10.209 9.914 1.00 0.00 C ATOM 0 H THR A 96 5.840 6.316 8.832 1.00 0.00 H new ATOM 0 HA THR A 96 5.484 9.117 7.852 1.00 0.00 H new ATOM 0 HB THR A 96 6.875 8.116 10.402 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.104 9.228 11.429 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.087 10.521 10.950 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.936 10.133 9.435 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.353 10.944 9.385 1.00 0.00 H new ATOM 1366 N VAL A 97 7.761 9.361 6.989 1.00 0.00 N ATOM 1367 CA VAL A 97 9.090 9.488 6.323 1.00 0.00 C ATOM 1368 C VAL A 97 9.734 10.766 6.877 1.00 0.00 C ATOM 1369 O VAL A 97 9.051 11.735 7.169 1.00 0.00 O ATOM 1370 CB VAL A 97 8.925 9.578 4.794 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.116 10.290 4.185 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.907 8.181 4.175 1.00 0.00 C ATOM 0 H VAL A 97 7.123 10.134 6.801 1.00 0.00 H new ATOM 0 HA VAL A 97 9.715 8.617 6.523 1.00 0.00 H new ATOM 0 HB VAL A 97 7.994 10.109 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.991 10.349 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.188 11.296 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.027 9.737 4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.790 8.263 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.844 7.671 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.075 7.611 4.588 1.00 0.00 H new ATOM 1382 N LYS A 98 11.028 10.776 7.048 1.00 0.00 N ATOM 1383 CA LYS A 98 11.694 11.978 7.635 1.00 0.00 C ATOM 1384 C LYS A 98 12.181 12.899 6.507 1.00 0.00 C ATOM 1385 O LYS A 98 11.844 12.674 5.364 1.00 0.00 O ATOM 1386 CB LYS A 98 12.869 11.509 8.503 1.00 0.00 C ATOM 1387 CG LYS A 98 12.607 10.094 9.027 1.00 0.00 C ATOM 1388 CD LYS A 98 13.254 9.934 10.405 1.00 0.00 C ATOM 1389 CE LYS A 98 13.734 8.492 10.581 1.00 0.00 C ATOM 1390 NZ LYS A 98 12.655 7.554 10.162 1.00 0.00 N ATOM 0 H LYS A 98 11.653 10.007 6.808 1.00 0.00 H new ATOM 0 HA LYS A 98 10.993 12.539 8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.790 11.524 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.009 12.194 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.534 9.912 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.013 9.357 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.093 10.622 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.537 10.188 11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.631 8.321 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.003 8.312 11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.769 6.649 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.728 7.964 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.714 7.394 9.136 1.00 0.00 H new ATOM 1404 N PRO A 99 12.925 13.939 6.843 1.00 0.00 N ATOM 1405 CA PRO A 99 13.384 14.909 5.837 1.00 0.00 C ATOM 1406 C PRO A 99 14.400 14.282 4.895 1.00 0.00 C ATOM 1407 O PRO A 99 15.583 14.219 5.164 1.00 0.00 O ATOM 1408 CB PRO A 99 13.961 16.064 6.661 1.00 0.00 C ATOM 1409 CG PRO A 99 14.284 15.486 8.052 1.00 0.00 C ATOM 1410 CD PRO A 99 13.410 14.227 8.215 1.00 0.00 C ATOM 0 HA PRO A 99 12.586 15.255 5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.858 16.467 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.245 16.883 6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.342 15.237 8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 99 14.067 16.213 8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.985 13.393 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.582 14.404 8.901 1.00 0.00 H new ATOM 1418 N ALA A 100 13.915 13.826 3.779 1.00 0.00 N ATOM 1419 CA ALA A 100 14.785 13.197 2.762 1.00 0.00 C ATOM 1420 C ALA A 100 16.013 14.086 2.530 1.00 0.00 C ATOM 1421 O ALA A 100 15.904 15.136 1.929 1.00 0.00 O ATOM 1422 CB ALA A 100 13.981 13.074 1.472 1.00 0.00 C ATOM 0 H ALA A 100 12.928 13.865 3.526 1.00 0.00 H new ATOM 0 HA ALA A 100 15.120 12.213 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.598 12.612 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.100 12.457 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.669 14.065 1.142 1.00 0.00 H new TER 1428 ALA A 100