USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 658 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 12 SER OG : rot 180:sc= 0.831 USER MOD Set 1.2: A 13 LYS NZ :NH3+ 174:sc= 0.948 (180deg=0) USER MOD Single : A 14 CYS SG : rot 125:sc= -2.18! USER MOD Single : A 17 THR OG1 : rot 27:sc= 0.106 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.11) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -113:sc= -0.111 (180deg=-1.35) USER MOD Single : A 39 THR OG1 : rot -130:sc= -0.828 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00446) USER MOD Single : A 46 THR OG1 : rot -107:sc= -0.907 USER MOD Single : A 47 CYS SG : rot -80:sc= -2.79! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -38:sc= -0.0649 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.886 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.861 USER MOD Single : A 69 TYR OH : rot 30:sc= -0.431 USER MOD Single : A 73 TYR OH : rot -165:sc= -1.19! USER MOD Single : A 74 THR OG1 : rot 89:sc= -0.484 USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= -0.216 (180deg=-1.39!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 47:sc= 1.17 USER MOD Single : A 84 TYR OH : rot 15:sc=-0.00333 USER MOD Single : A 94 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 95 SER OG : rot 52:sc= -0.724 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -9.080 -19.045 -5.924 1.00 0.00 N ATOM 88 CA ASP A 10 -9.724 -18.072 -6.800 1.00 0.00 C ATOM 89 C ASP A 10 -9.414 -16.649 -6.351 1.00 0.00 C ATOM 90 O ASP A 10 -9.201 -16.393 -5.166 1.00 0.00 O ATOM 91 CB ASP A 10 -11.237 -18.297 -6.819 1.00 0.00 C ATOM 92 CG ASP A 10 -11.666 -19.260 -7.908 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.100 -19.188 -9.020 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.568 -20.085 -7.650 1.00 0.00 O ATOM 0 HA ASP A 10 -9.331 -18.209 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.556 -18.683 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.742 -17.342 -6.964 1.00 0.00 H new ATOM 99 N ALA A 11 -9.389 -15.725 -7.306 1.00 0.00 N ATOM 100 CA ALA A 11 -9.106 -14.326 -7.009 1.00 0.00 C ATOM 101 C ALA A 11 -10.394 -13.525 -6.855 1.00 0.00 C ATOM 102 O ALA A 11 -10.515 -12.691 -5.959 1.00 0.00 O ATOM 103 CB ALA A 11 -8.233 -13.722 -8.098 1.00 0.00 C ATOM 0 H ALA A 11 -9.561 -15.920 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.568 -14.283 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.030 -12.677 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.293 -14.270 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.750 -13.785 -9.055 1.00 0.00 H new ATOM 109 N SER A 12 -11.355 -13.785 -7.737 1.00 0.00 N ATOM 110 CA SER A 12 -12.633 -13.085 -7.702 1.00 0.00 C ATOM 111 C SER A 12 -13.326 -13.284 -6.357 1.00 0.00 C ATOM 112 O SER A 12 -14.268 -12.568 -6.017 1.00 0.00 O ATOM 113 CB SER A 12 -13.539 -13.577 -8.833 1.00 0.00 C ATOM 114 OG SER A 12 -13.752 -14.975 -8.744 1.00 0.00 O ATOM 0 H SER A 12 -11.272 -14.475 -8.484 1.00 0.00 H new ATOM 0 HA SER A 12 -12.440 -12.021 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.496 -13.057 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.088 -13.335 -9.796 1.00 0.00 H new ATOM 0 HG SER A 12 -14.335 -15.264 -9.477 1.00 0.00 H new ATOM 120 N LYS A 13 -12.852 -14.264 -5.595 1.00 0.00 N ATOM 121 CA LYS A 13 -13.422 -14.559 -4.286 1.00 0.00 C ATOM 122 C LYS A 13 -12.733 -13.744 -3.196 1.00 0.00 C ATOM 123 O LYS A 13 -13.345 -13.407 -2.181 1.00 0.00 O ATOM 124 CB LYS A 13 -13.296 -16.052 -3.977 1.00 0.00 C ATOM 125 CG LYS A 13 -13.863 -16.949 -5.065 1.00 0.00 C ATOM 126 CD LYS A 13 -15.363 -16.762 -5.216 1.00 0.00 C ATOM 127 CE LYS A 13 -15.879 -17.404 -6.495 1.00 0.00 C ATOM 128 NZ LYS A 13 -15.822 -16.464 -7.650 1.00 0.00 N ATOM 0 H LYS A 13 -12.074 -14.868 -5.862 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.477 -14.286 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.244 -16.296 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.808 -16.265 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.371 -16.729 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.647 -17.991 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.873 -17.198 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.599 -15.698 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.288 -18.292 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.907 -17.735 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.085 -16.968 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.484 -15.678 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.857 -16.089 -7.745 1.00 0.00 H new ATOM 142 N CYS A 14 -11.462 -13.431 -3.413 1.00 0.00 N ATOM 143 CA CYS A 14 -10.690 -12.654 -2.448 1.00 0.00 C ATOM 144 C CYS A 14 -11.305 -11.274 -2.246 1.00 0.00 C ATOM 145 O CYS A 14 -11.967 -10.740 -3.137 1.00 0.00 O ATOM 146 CB CYS A 14 -9.240 -12.517 -2.915 1.00 0.00 C ATOM 147 SG CYS A 14 -8.177 -13.901 -2.442 1.00 0.00 S ATOM 0 H CYS A 14 -10.943 -13.702 -4.248 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.708 -13.183 -1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.227 -12.418 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.823 -11.597 -2.506 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.610 -14.395 -3.503 1.00 0.00 H new ATOM 153 N LEU A 15 -11.082 -10.699 -1.069 1.00 0.00 N ATOM 154 CA LEU A 15 -11.615 -9.379 -0.749 1.00 0.00 C ATOM 155 C LEU A 15 -10.535 -8.487 -0.148 1.00 0.00 C ATOM 156 O LEU A 15 -9.523 -8.972 0.356 1.00 0.00 O ATOM 157 CB LEU A 15 -12.789 -9.505 0.225 1.00 0.00 C ATOM 158 CG LEU A 15 -14.172 -9.663 -0.406 1.00 0.00 C ATOM 159 CD1 LEU A 15 -14.475 -11.130 -0.667 1.00 0.00 C ATOM 160 CD2 LEU A 15 -15.240 -9.046 0.485 1.00 0.00 C ATOM 0 H LEU A 15 -10.536 -11.126 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.965 -8.921 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.607 -10.363 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -12.802 -8.621 0.863 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.176 -9.137 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -15.464 -11.223 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.728 -11.541 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.451 -11.679 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.218 -9.168 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.236 -9.543 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -15.033 -7.984 0.620 1.00 0.00 H new ATOM 172 N ALA A 16 -10.758 -7.177 -0.204 1.00 0.00 N ATOM 173 CA ALA A 16 -9.805 -6.216 0.339 1.00 0.00 C ATOM 174 C ALA A 16 -10.513 -5.149 1.167 1.00 0.00 C ATOM 175 O ALA A 16 -11.238 -4.311 0.632 1.00 0.00 O ATOM 176 CB ALA A 16 -9.009 -5.572 -0.786 1.00 0.00 C ATOM 0 H ALA A 16 -11.590 -6.758 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.119 -6.751 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.301 -4.857 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.466 -6.342 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.689 -5.056 -1.463 1.00 0.00 H new ATOM 182 N THR A 17 -10.298 -5.188 2.479 1.00 0.00 N ATOM 183 CA THR A 17 -10.917 -4.225 3.382 1.00 0.00 C ATOM 184 C THR A 17 -9.867 -3.502 4.218 1.00 0.00 C ATOM 185 O THR A 17 -9.040 -4.132 4.875 1.00 0.00 O ATOM 186 CB THR A 17 -11.926 -4.908 4.325 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.309 -6.024 4.977 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.152 -5.378 3.558 1.00 0.00 C ATOM 0 H THR A 17 -9.701 -5.875 2.939 1.00 0.00 H new ATOM 0 HA THR A 17 -11.444 -3.501 2.760 1.00 0.00 H new ATOM 0 HB THR A 17 -12.242 -4.179 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.343 -5.872 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.850 -5.857 4.245 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.636 -4.523 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.850 -6.092 2.792 1.00 0.00 H new ATOM 196 N GLY A 18 -9.907 -2.173 4.189 1.00 0.00 N ATOM 197 CA GLY A 18 -8.954 -1.386 4.949 1.00 0.00 C ATOM 198 C GLY A 18 -8.915 0.063 4.506 1.00 0.00 C ATOM 199 O GLY A 18 -9.322 0.406 3.395 1.00 0.00 O ATOM 0 H GLY A 18 -10.582 -1.628 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.211 -1.432 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.961 -1.822 4.843 1.00 0.00 H new ATOM 203 N PRO A 19 -8.417 0.943 5.388 1.00 0.00 N ATOM 204 CA PRO A 19 -8.317 2.377 5.105 1.00 0.00 C ATOM 205 C PRO A 19 -7.259 2.688 4.051 1.00 0.00 C ATOM 206 O PRO A 19 -7.239 3.776 3.478 1.00 0.00 O ATOM 207 CB PRO A 19 -7.919 2.979 6.455 1.00 0.00 C ATOM 208 CG PRO A 19 -7.235 1.869 7.177 1.00 0.00 C ATOM 209 CD PRO A 19 -7.915 0.604 6.729 1.00 0.00 C ATOM 0 HA PRO A 19 -9.247 2.778 4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.257 3.835 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.792 3.330 7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.171 1.846 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.318 1.996 8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.221 -0.236 6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.725 0.323 7.402 1.00 0.00 H new ATOM 217 N GLY A 20 -6.381 1.721 3.799 1.00 0.00 N ATOM 218 CA GLY A 20 -5.332 1.911 2.814 1.00 0.00 C ATOM 219 C GLY A 20 -5.850 1.824 1.392 1.00 0.00 C ATOM 220 O GLY A 20 -5.251 2.382 0.471 1.00 0.00 O ATOM 0 H GLY A 20 -6.378 0.811 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.865 2.884 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.558 1.158 2.962 1.00 0.00 H new ATOM 224 N ILE A 21 -6.964 1.122 1.211 1.00 0.00 N ATOM 225 CA ILE A 21 -7.560 0.964 -0.109 1.00 0.00 C ATOM 226 C ILE A 21 -8.709 1.946 -0.314 1.00 0.00 C ATOM 227 O ILE A 21 -9.405 1.900 -1.328 1.00 0.00 O ATOM 228 CB ILE A 21 -8.081 -0.469 -0.323 1.00 0.00 C ATOM 229 CG1 ILE A 21 -9.035 -0.863 0.807 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.919 -1.448 -0.408 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.845 -2.104 0.507 1.00 0.00 C ATOM 0 H ILE A 21 -7.471 0.654 1.962 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.775 1.169 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.629 -0.503 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.459 -1.026 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.715 -0.034 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.303 -2.457 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.275 -1.176 -1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.346 -1.413 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.499 -2.324 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.448 -1.938 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.173 -2.946 0.339 1.00 0.00 H new ATOM 243 N ALA A 22 -8.900 2.835 0.656 1.00 0.00 N ATOM 244 CA ALA A 22 -9.962 3.831 0.580 1.00 0.00 C ATOM 245 C ALA A 22 -9.805 4.708 -0.658 1.00 0.00 C ATOM 246 O ALA A 22 -8.691 5.060 -1.044 1.00 0.00 O ATOM 247 CB ALA A 22 -9.972 4.687 1.838 1.00 0.00 C ATOM 0 H ALA A 22 -8.334 2.886 1.503 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.914 3.306 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.770 5.427 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.140 4.053 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.013 5.196 1.940 1.00 0.00 H new ATOM 253 N SER A 23 -10.928 5.056 -1.276 1.00 0.00 N ATOM 254 CA SER A 23 -10.915 5.889 -2.474 1.00 0.00 C ATOM 255 C SER A 23 -9.888 7.009 -2.345 1.00 0.00 C ATOM 256 O SER A 23 -9.204 7.356 -3.310 1.00 0.00 O ATOM 257 CB SER A 23 -12.304 6.480 -2.726 1.00 0.00 C ATOM 258 OG SER A 23 -13.100 5.601 -3.501 1.00 0.00 O ATOM 0 H SER A 23 -11.859 4.775 -0.968 1.00 0.00 H new ATOM 0 HA SER A 23 -10.637 5.261 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.797 6.678 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.208 7.437 -3.240 1.00 0.00 H new ATOM 0 HG SER A 23 -13.983 6.001 -3.646 1.00 0.00 H new ATOM 264 N THR A 24 -9.785 7.574 -1.146 1.00 0.00 N ATOM 265 CA THR A 24 -8.843 8.657 -0.889 1.00 0.00 C ATOM 266 C THR A 24 -8.269 8.563 0.519 1.00 0.00 C ATOM 267 O THR A 24 -8.949 8.131 1.450 1.00 0.00 O ATOM 268 CB THR A 24 -9.508 10.034 -1.071 1.00 0.00 C ATOM 269 OG1 THR A 24 -10.638 10.152 -0.200 1.00 0.00 O ATOM 270 CG2 THR A 24 -9.950 10.236 -2.512 1.00 0.00 C ATOM 0 H THR A 24 -10.343 7.299 -0.337 1.00 0.00 H new ATOM 0 HA THR A 24 -8.036 8.554 -1.614 1.00 0.00 H new ATOM 0 HB THR A 24 -8.775 10.801 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.054 11.031 -0.321 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.417 11.216 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.083 10.176 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.667 9.462 -2.785 1.00 0.00 H new ATOM 278 N VAL A 25 -7.013 8.972 0.670 1.00 0.00 N ATOM 279 CA VAL A 25 -6.348 8.935 1.967 1.00 0.00 C ATOM 280 C VAL A 25 -5.581 10.227 2.227 1.00 0.00 C ATOM 281 O VAL A 25 -5.398 11.046 1.326 1.00 0.00 O ATOM 282 CB VAL A 25 -5.376 7.745 2.067 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.142 6.431 2.104 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.390 7.764 0.908 1.00 0.00 C ATOM 0 H VAL A 25 -6.436 9.333 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.128 8.820 2.719 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.812 7.836 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.438 5.602 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.804 6.420 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.733 6.329 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.711 6.916 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.934 7.698 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.818 8.691 0.932 1.00 0.00 H new ATOM 294 N LYS A 26 -5.133 10.404 3.465 1.00 0.00 N ATOM 295 CA LYS A 26 -4.384 11.594 3.846 1.00 0.00 C ATOM 296 C LYS A 26 -2.887 11.304 3.891 1.00 0.00 C ATOM 297 O LYS A 26 -2.460 10.265 4.397 1.00 0.00 O ATOM 298 CB LYS A 26 -4.856 12.106 5.208 1.00 0.00 C ATOM 299 CG LYS A 26 -4.757 13.615 5.360 1.00 0.00 C ATOM 300 CD LYS A 26 -3.356 14.043 5.765 1.00 0.00 C ATOM 301 CE LYS A 26 -3.113 13.823 7.250 1.00 0.00 C ATOM 302 NZ LYS A 26 -1.668 13.921 7.595 1.00 0.00 N ATOM 0 H LYS A 26 -5.276 9.736 4.223 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.565 12.362 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.891 11.801 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.264 11.631 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.028 14.095 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.473 13.954 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.622 13.481 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.212 15.096 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.674 14.561 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.490 12.842 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.538 13.715 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.129 13.235 7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.327 14.882 7.391 1.00 0.00 H new ATOM 316 N THR A 27 -2.092 12.229 3.362 1.00 0.00 N ATOM 317 CA THR A 27 -0.643 12.072 3.342 1.00 0.00 C ATOM 318 C THR A 27 -0.072 12.066 4.756 1.00 0.00 C ATOM 319 O THR A 27 -0.722 12.513 5.700 1.00 0.00 O ATOM 320 CB THR A 27 0.033 13.194 2.532 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.462 14.469 2.954 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.219 13.014 1.043 1.00 0.00 C ATOM 0 H THR A 27 -2.428 13.095 2.941 1.00 0.00 H new ATOM 0 HA THR A 27 -0.435 11.114 2.865 1.00 0.00 H new ATOM 0 HB THR A 27 1.107 13.144 2.711 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.026 15.177 2.435 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.268 13.818 0.492 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.185 12.055 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.291 13.039 0.850 1.00 0.00 H new ATOM 330 N GLY A 28 1.149 11.559 4.894 1.00 0.00 N ATOM 331 CA GLY A 28 1.788 11.506 6.196 1.00 0.00 C ATOM 332 C GLY A 28 1.285 10.353 7.042 1.00 0.00 C ATOM 333 O GLY A 28 2.071 9.656 7.683 1.00 0.00 O ATOM 0 H GLY A 28 1.707 11.184 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.866 11.413 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.611 12.444 6.723 1.00 0.00 H new ATOM 337 N GLU A 29 -0.029 10.152 7.044 1.00 0.00 N ATOM 338 CA GLU A 29 -0.635 9.076 7.820 1.00 0.00 C ATOM 339 C GLU A 29 -0.329 7.717 7.198 1.00 0.00 C ATOM 340 O GLU A 29 -0.070 7.617 5.999 1.00 0.00 O ATOM 341 CB GLU A 29 -2.149 9.276 7.915 1.00 0.00 C ATOM 342 CG GLU A 29 -2.559 10.358 8.900 1.00 0.00 C ATOM 343 CD GLU A 29 -3.958 10.149 9.447 1.00 0.00 C ATOM 344 OE1 GLU A 29 -4.202 9.090 10.061 1.00 0.00 O ATOM 345 OE2 GLU A 29 -4.808 11.045 9.260 1.00 0.00 O ATOM 0 H GLU A 29 -0.694 10.719 6.518 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.208 9.102 8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.536 9.529 6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.614 8.335 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.849 10.379 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.506 11.330 8.409 1.00 0.00 H new ATOM 352 N GLU A 30 -0.359 6.674 8.022 1.00 0.00 N ATOM 353 CA GLU A 30 -0.083 5.322 7.553 1.00 0.00 C ATOM 354 C GLU A 30 -1.347 4.466 7.586 1.00 0.00 C ATOM 355 O GLU A 30 -2.027 4.382 8.609 1.00 0.00 O ATOM 356 CB GLU A 30 1.007 4.674 8.408 1.00 0.00 C ATOM 357 CG GLU A 30 1.208 3.196 8.119 1.00 0.00 C ATOM 358 CD GLU A 30 2.610 2.722 8.453 1.00 0.00 C ATOM 359 OE1 GLU A 30 3.574 3.458 8.154 1.00 0.00 O ATOM 360 OE2 GLU A 30 2.743 1.613 9.015 1.00 0.00 O ATOM 0 H GLU A 30 -0.572 6.740 9.017 1.00 0.00 H new ATOM 0 HA GLU A 30 0.265 5.387 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.948 5.199 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.754 4.799 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.486 2.616 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.005 3.005 7.065 1.00 0.00 H new ATOM 367 N VAL A 31 -1.654 3.832 6.459 1.00 0.00 N ATOM 368 CA VAL A 31 -2.835 2.983 6.357 1.00 0.00 C ATOM 369 C VAL A 31 -2.481 1.520 6.596 1.00 0.00 C ATOM 370 O VAL A 31 -1.307 1.154 6.651 1.00 0.00 O ATOM 371 CB VAL A 31 -3.508 3.119 4.979 1.00 0.00 C ATOM 372 CG1 VAL A 31 -4.002 4.540 4.763 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.547 2.706 3.874 1.00 0.00 C ATOM 0 H VAL A 31 -1.101 3.890 5.604 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.532 3.316 7.126 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.370 2.452 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.475 4.616 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.727 4.795 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.160 5.230 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.039 2.808 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.665 3.345 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.248 1.668 4.021 1.00 0.00 H new ATOM 383 N GLY A 32 -3.505 0.683 6.738 1.00 0.00 N ATOM 384 CA GLY A 32 -3.282 -0.732 6.969 1.00 0.00 C ATOM 385 C GLY A 32 -4.476 -1.579 6.579 1.00 0.00 C ATOM 386 O GLY A 32 -5.409 -1.748 7.364 1.00 0.00 O ATOM 0 H GLY A 32 -4.486 0.961 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.410 -1.056 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.055 -0.893 8.023 1.00 0.00 H new ATOM 390 N PHE A 33 -4.450 -2.112 5.362 1.00 0.00 N ATOM 391 CA PHE A 33 -5.541 -2.944 4.867 1.00 0.00 C ATOM 392 C PHE A 33 -5.142 -4.417 4.862 1.00 0.00 C ATOM 393 O PHE A 33 -3.957 -4.751 4.828 1.00 0.00 O ATOM 394 CB PHE A 33 -5.945 -2.508 3.457 1.00 0.00 C ATOM 395 CG PHE A 33 -4.850 -2.670 2.443 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.909 -1.670 2.254 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.760 -3.821 1.678 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.899 -1.816 1.323 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.753 -3.972 0.744 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.822 -2.968 0.565 1.00 0.00 C ATOM 0 H PHE A 33 -3.685 -1.983 4.700 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.393 -2.818 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.811 -3.088 3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.254 -1.463 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.966 -0.766 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.485 -4.610 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.170 -1.030 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.694 -4.875 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.035 -3.083 -0.166 1.00 0.00 H new ATOM 410 N VAL A 34 -6.139 -5.295 4.896 1.00 0.00 N ATOM 411 CA VAL A 34 -5.894 -6.732 4.893 1.00 0.00 C ATOM 412 C VAL A 34 -6.823 -7.446 3.918 1.00 0.00 C ATOM 413 O VAL A 34 -7.985 -7.072 3.762 1.00 0.00 O ATOM 414 CB VAL A 34 -6.082 -7.335 6.299 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.434 -6.941 6.873 1.00 0.00 C ATOM 416 CG2 VAL A 34 -5.933 -8.847 6.252 1.00 0.00 C ATOM 0 H VAL A 34 -7.125 -5.036 4.926 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.861 -6.877 4.578 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.307 -6.936 6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.548 -7.376 7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.497 -5.855 6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.227 -7.309 6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.069 -9.257 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.685 -9.266 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.939 -9.103 5.886 1.00 0.00 H new ATOM 426 N VAL A 35 -6.301 -8.478 3.262 1.00 0.00 N ATOM 427 CA VAL A 35 -7.084 -9.248 2.302 1.00 0.00 C ATOM 428 C VAL A 35 -7.771 -10.431 2.975 1.00 0.00 C ATOM 429 O VAL A 35 -7.112 -11.321 3.511 1.00 0.00 O ATOM 430 CB VAL A 35 -6.204 -9.768 1.150 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.033 -10.585 0.171 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.516 -8.610 0.442 1.00 0.00 C ATOM 0 H VAL A 35 -5.340 -8.800 3.378 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.840 -8.575 1.898 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.435 -10.418 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.394 -10.944 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.475 -11.436 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.825 -9.962 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.898 -8.995 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.268 -7.933 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.888 -8.071 1.152 1.00 0.00 H new ATOM 442 N ASP A 36 -9.100 -10.433 2.943 1.00 0.00 N ATOM 443 CA ASP A 36 -9.878 -11.507 3.549 1.00 0.00 C ATOM 444 C ASP A 36 -10.296 -12.532 2.500 1.00 0.00 C ATOM 445 O ASP A 36 -10.848 -12.178 1.458 1.00 0.00 O ATOM 446 CB ASP A 36 -11.113 -10.939 4.247 1.00 0.00 C ATOM 447 CG ASP A 36 -11.579 -11.808 5.399 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.757 -13.026 5.187 1.00 0.00 O ATOM 449 OD2 ASP A 36 -11.765 -11.271 6.511 1.00 0.00 O ATOM 0 H ASP A 36 -9.660 -9.703 2.504 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.251 -12.006 4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.889 -9.939 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.921 -10.837 3.523 1.00 0.00 H new ATOM 454 N ALA A 37 -10.030 -13.803 2.782 1.00 0.00 N ATOM 455 CA ALA A 37 -10.380 -14.880 1.864 1.00 0.00 C ATOM 456 C ALA A 37 -11.289 -15.902 2.537 1.00 0.00 C ATOM 457 O ALA A 37 -10.966 -16.431 3.601 1.00 0.00 O ATOM 458 CB ALA A 37 -9.122 -15.555 1.338 1.00 0.00 C ATOM 0 H ALA A 37 -9.573 -14.112 3.640 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.924 -14.446 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.398 -16.357 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.510 -14.823 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.555 -15.969 2.172 1.00 0.00 H new ATOM 464 N LYS A 38 -12.430 -16.175 1.911 1.00 0.00 N ATOM 465 CA LYS A 38 -13.386 -17.135 2.450 1.00 0.00 C ATOM 466 C LYS A 38 -13.485 -18.365 1.554 1.00 0.00 C ATOM 467 O LYS A 38 -13.099 -19.467 1.949 1.00 0.00 O ATOM 468 CB LYS A 38 -14.764 -16.485 2.595 1.00 0.00 C ATOM 469 CG LYS A 38 -14.707 -14.992 2.869 1.00 0.00 C ATOM 470 CD LYS A 38 -15.994 -14.493 3.504 1.00 0.00 C ATOM 471 CE LYS A 38 -17.110 -14.371 2.478 1.00 0.00 C ATOM 472 NZ LYS A 38 -17.790 -15.676 2.242 1.00 0.00 N ATOM 0 H LYS A 38 -12.714 -15.745 1.031 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.033 -17.450 3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.335 -16.657 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.304 -16.974 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.867 -14.774 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.529 -14.456 1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.299 -15.177 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.819 -13.523 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.840 -13.637 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.701 -13.999 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.595 -15.999 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.435 -16.380 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.816 -15.561 2.368 1.00 0.00 H new ATOM 486 N THR A 39 -14.004 -18.173 0.345 1.00 0.00 N ATOM 487 CA THR A 39 -14.153 -19.266 -0.606 1.00 0.00 C ATOM 488 C THR A 39 -13.021 -19.264 -1.628 1.00 0.00 C ATOM 489 O THR A 39 -12.960 -20.127 -2.502 1.00 0.00 O ATOM 490 CB THR A 39 -15.499 -19.185 -1.349 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.438 -18.180 -2.368 1.00 0.00 O ATOM 492 CG2 THR A 39 -16.632 -18.867 -0.384 1.00 0.00 C ATOM 0 H THR A 39 -14.328 -17.269 0.002 1.00 0.00 H new ATOM 0 HA THR A 39 -14.119 -20.191 -0.031 1.00 0.00 H new ATOM 0 HB THR A 39 -15.694 -20.155 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.214 -17.586 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.573 -18.815 -0.932 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.696 -19.649 0.373 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.440 -17.909 0.099 1.00 0.00 H new ATOM 500 N ALA A 40 -12.126 -18.289 -1.510 1.00 0.00 N ATOM 501 CA ALA A 40 -10.994 -18.177 -2.422 1.00 0.00 C ATOM 502 C ALA A 40 -10.059 -19.373 -2.285 1.00 0.00 C ATOM 503 O ALA A 40 -9.418 -19.786 -3.252 1.00 0.00 O ATOM 504 CB ALA A 40 -10.237 -16.882 -2.167 1.00 0.00 C ATOM 0 H ALA A 40 -12.163 -17.565 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.380 -18.165 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.394 -16.812 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.904 -16.034 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.869 -16.871 -1.141 1.00 0.00 H new ATOM 510 N GLY A 41 -9.984 -19.927 -1.078 1.00 0.00 N ATOM 511 CA GLY A 41 -9.124 -21.070 -0.839 1.00 0.00 C ATOM 512 C GLY A 41 -7.716 -20.665 -0.450 1.00 0.00 C ATOM 513 O GLY A 41 -7.520 -19.693 0.280 1.00 0.00 O ATOM 0 H GLY A 41 -10.504 -19.604 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.553 -21.685 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.086 -21.687 -1.737 1.00 0.00 H new ATOM 517 N LYS A 42 -6.731 -21.412 -0.936 1.00 0.00 N ATOM 518 CA LYS A 42 -5.333 -21.127 -0.637 1.00 0.00 C ATOM 519 C LYS A 42 -4.717 -20.234 -1.709 1.00 0.00 C ATOM 520 O LYS A 42 -5.073 -20.323 -2.884 1.00 0.00 O ATOM 521 CB LYS A 42 -4.537 -22.430 -0.524 1.00 0.00 C ATOM 522 CG LYS A 42 -3.086 -22.223 -0.129 1.00 0.00 C ATOM 523 CD LYS A 42 -2.293 -23.516 -0.225 1.00 0.00 C ATOM 524 CE LYS A 42 -2.593 -24.443 0.943 1.00 0.00 C ATOM 525 NZ LYS A 42 -2.243 -25.857 0.633 1.00 0.00 N ATOM 0 H LYS A 42 -6.876 -22.221 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.293 -20.600 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.016 -23.076 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.574 -22.953 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.636 -21.470 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.036 -21.839 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.530 -24.021 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.227 -23.289 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.035 -24.115 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.651 -24.378 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.462 -26.457 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.794 -26.179 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.228 -25.924 0.417 1.00 0.00 H new ATOM 539 N GLY A 43 -3.790 -19.374 -1.297 1.00 0.00 N ATOM 540 CA GLY A 43 -3.139 -18.479 -2.235 1.00 0.00 C ATOM 541 C GLY A 43 -2.322 -17.408 -1.543 1.00 0.00 C ATOM 542 O GLY A 43 -2.527 -17.125 -0.362 1.00 0.00 O ATOM 0 H GLY A 43 -3.479 -19.282 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.491 -19.057 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.893 -18.006 -2.864 1.00 0.00 H new ATOM 546 N LYS A 44 -1.389 -16.809 -2.277 1.00 0.00 N ATOM 547 CA LYS A 44 -0.536 -15.763 -1.726 1.00 0.00 C ATOM 548 C LYS A 44 -1.022 -14.383 -2.157 1.00 0.00 C ATOM 549 O LYS A 44 -1.563 -14.217 -3.250 1.00 0.00 O ATOM 550 CB LYS A 44 0.912 -15.968 -2.176 1.00 0.00 C ATOM 551 CG LYS A 44 1.678 -16.964 -1.323 1.00 0.00 C ATOM 552 CD LYS A 44 2.244 -16.309 -0.073 1.00 0.00 C ATOM 553 CE LYS A 44 3.627 -15.730 -0.326 1.00 0.00 C ATOM 554 NZ LYS A 44 4.677 -16.786 -0.340 1.00 0.00 N ATOM 0 H LYS A 44 -1.205 -17.031 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.585 -15.824 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.917 -16.309 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.430 -15.009 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.018 -17.784 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.490 -17.396 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.572 -15.518 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.297 -17.043 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.631 -15.202 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.860 -14.996 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.612 -16.344 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.646 -17.318 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.507 -17.434 -1.135 1.00 0.00 H new ATOM 568 N VAL A 45 -0.825 -13.393 -1.291 1.00 0.00 N ATOM 569 CA VAL A 45 -1.240 -12.027 -1.583 1.00 0.00 C ATOM 570 C VAL A 45 -0.045 -11.081 -1.606 1.00 0.00 C ATOM 571 O VAL A 45 0.589 -10.838 -0.578 1.00 0.00 O ATOM 572 CB VAL A 45 -2.263 -11.518 -0.550 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.660 -10.081 -0.852 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.487 -12.423 -0.521 1.00 0.00 C ATOM 0 H VAL A 45 -0.380 -13.513 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.706 -12.043 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.798 -11.541 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.383 -9.740 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.776 -9.444 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.106 -10.028 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.199 -12.048 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.954 -12.435 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.185 -13.435 -0.251 1.00 0.00 H new ATOM 584 N THR A 46 0.260 -10.549 -2.785 1.00 0.00 N ATOM 585 CA THR A 46 1.380 -9.631 -2.943 1.00 0.00 C ATOM 586 C THR A 46 0.893 -8.207 -3.188 1.00 0.00 C ATOM 587 O THR A 46 -0.066 -7.987 -3.929 1.00 0.00 O ATOM 588 CB THR A 46 2.296 -10.055 -4.107 1.00 0.00 C ATOM 589 OG1 THR A 46 1.527 -10.203 -5.306 1.00 0.00 O ATOM 590 CG2 THR A 46 3.004 -11.364 -3.789 1.00 0.00 C ATOM 0 H THR A 46 -0.254 -10.739 -3.645 1.00 0.00 H new ATOM 0 HA THR A 46 1.948 -9.664 -2.013 1.00 0.00 H new ATOM 0 HB THR A 46 3.048 -9.279 -4.251 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.433 -11.155 -5.519 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.645 -11.643 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.611 -11.241 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.264 -12.147 -3.622 1.00 0.00 H new ATOM 598 N CYS A 47 1.559 -7.243 -2.563 1.00 0.00 N ATOM 599 CA CYS A 47 1.195 -5.839 -2.714 1.00 0.00 C ATOM 600 C CYS A 47 2.374 -5.023 -3.232 1.00 0.00 C ATOM 601 O CYS A 47 3.528 -5.297 -2.898 1.00 0.00 O ATOM 602 CB CYS A 47 0.712 -5.270 -1.378 1.00 0.00 C ATOM 603 SG CYS A 47 0.564 -3.468 -1.354 1.00 0.00 S ATOM 0 H CYS A 47 2.355 -7.408 -1.946 1.00 0.00 H new ATOM 0 HA CYS A 47 0.386 -5.775 -3.442 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.258 -5.707 -1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.403 -5.578 -0.593 1.00 0.00 H new ATOM 0 HG CYS A 47 1.737 -2.939 -1.173 1.00 0.00 H new ATOM 609 N THR A 48 2.078 -4.018 -4.052 1.00 0.00 N ATOM 610 CA THR A 48 3.114 -3.164 -4.619 1.00 0.00 C ATOM 611 C THR A 48 2.628 -1.725 -4.749 1.00 0.00 C ATOM 612 O THR A 48 1.784 -1.418 -5.590 1.00 0.00 O ATOM 613 CB THR A 48 3.564 -3.670 -6.002 1.00 0.00 C ATOM 614 OG1 THR A 48 4.045 -5.014 -5.899 1.00 0.00 O ATOM 615 CG2 THR A 48 4.655 -2.778 -6.576 1.00 0.00 C ATOM 0 H THR A 48 1.129 -3.776 -4.338 1.00 0.00 H new ATOM 0 HA THR A 48 3.962 -3.198 -3.935 1.00 0.00 H new ATOM 0 HB THR A 48 2.704 -3.643 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.328 -5.329 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.957 -3.155 -7.553 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.276 -1.761 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.515 -2.778 -5.906 1.00 0.00 H new ATOM 623 N VAL A 49 3.168 -0.845 -3.912 1.00 0.00 N ATOM 624 CA VAL A 49 2.791 0.563 -3.935 1.00 0.00 C ATOM 625 C VAL A 49 3.576 1.325 -4.998 1.00 0.00 C ATOM 626 O VAL A 49 4.799 1.440 -4.918 1.00 0.00 O ATOM 627 CB VAL A 49 3.023 1.229 -2.566 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.545 2.673 -2.587 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.324 0.443 -1.468 1.00 0.00 C ATOM 0 H VAL A 49 3.868 -1.083 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 49 1.728 0.602 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 49 4.093 1.229 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.717 3.127 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.095 3.227 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.480 2.700 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.498 0.927 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.253 0.410 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.719 -0.572 -1.440 1.00 0.00 H new ATOM 639 N LEU A 50 2.865 1.843 -5.994 1.00 0.00 N ATOM 640 CA LEU A 50 3.494 2.594 -7.074 1.00 0.00 C ATOM 641 C LEU A 50 3.304 4.095 -6.875 1.00 0.00 C ATOM 642 O LEU A 50 2.184 4.603 -6.932 1.00 0.00 O ATOM 643 CB LEU A 50 2.914 2.169 -8.423 1.00 0.00 C ATOM 644 CG LEU A 50 3.636 2.700 -9.662 1.00 0.00 C ATOM 645 CD1 LEU A 50 5.026 2.092 -9.770 1.00 0.00 C ATOM 646 CD2 LEU A 50 2.827 2.411 -10.917 1.00 0.00 C ATOM 0 H LEU A 50 1.852 1.756 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 50 4.562 2.376 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.911 1.080 -8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.874 2.492 -8.467 1.00 0.00 H new ATOM 0 HG LEU A 50 3.740 3.780 -9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.525 2.481 -10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.606 2.351 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.944 1.008 -9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.357 2.796 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.690 1.335 -11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.853 2.895 -10.841 1.00 0.00 H new ATOM 658 N THR A 51 4.406 4.801 -6.643 1.00 0.00 N ATOM 659 CA THR A 51 4.362 6.243 -6.438 1.00 0.00 C ATOM 660 C THR A 51 4.053 6.975 -7.740 1.00 0.00 C ATOM 661 O THR A 51 4.376 6.510 -8.833 1.00 0.00 O ATOM 662 CB THR A 51 5.692 6.771 -5.870 1.00 0.00 C ATOM 663 OG1 THR A 51 6.763 6.479 -6.775 1.00 0.00 O ATOM 664 CG2 THR A 51 5.986 6.149 -4.513 1.00 0.00 C ATOM 0 H THR A 51 5.341 4.397 -6.592 1.00 0.00 H new ATOM 0 HA THR A 51 3.566 6.435 -5.718 1.00 0.00 H new ATOM 0 HB THR A 51 5.605 7.851 -5.747 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.625 5.593 -7.170 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.930 6.537 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.184 6.397 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.054 5.066 -4.616 1.00 0.00 H new ATOM 672 N PRO A 52 3.413 8.147 -7.622 1.00 0.00 N ATOM 673 CA PRO A 52 3.047 8.969 -8.780 1.00 0.00 C ATOM 674 C PRO A 52 4.264 9.589 -9.458 1.00 0.00 C ATOM 675 O PRO A 52 4.139 10.274 -10.474 1.00 0.00 O ATOM 676 CB PRO A 52 2.159 10.059 -8.175 1.00 0.00 C ATOM 677 CG PRO A 52 2.589 10.153 -6.752 1.00 0.00 C ATOM 678 CD PRO A 52 2.997 8.762 -6.350 1.00 0.00 C ATOM 0 HA PRO A 52 2.556 8.383 -9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.291 11.009 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.104 9.798 -8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.419 10.851 -6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.778 10.519 -6.123 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.811 8.776 -5.625 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.171 8.218 -5.892 1.00 0.00 H new ATOM 686 N ASP A 53 5.440 9.345 -8.891 1.00 0.00 N ATOM 687 CA ASP A 53 6.680 9.879 -9.442 1.00 0.00 C ATOM 688 C ASP A 53 7.136 9.060 -10.645 1.00 0.00 C ATOM 689 O ASP A 53 7.818 9.570 -11.534 1.00 0.00 O ATOM 690 CB ASP A 53 7.774 9.890 -8.373 1.00 0.00 C ATOM 691 CG ASP A 53 8.840 10.935 -8.646 1.00 0.00 C ATOM 692 OD1 ASP A 53 8.477 12.063 -9.043 1.00 0.00 O ATOM 693 OD2 ASP A 53 10.035 10.625 -8.462 1.00 0.00 O ATOM 0 H ASP A 53 5.561 8.781 -8.050 1.00 0.00 H new ATOM 0 HA ASP A 53 6.493 10.901 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.324 10.080 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.239 8.905 -8.323 1.00 0.00 H new ATOM 698 N GLY A 54 6.756 7.786 -10.667 1.00 0.00 N ATOM 699 CA GLY A 54 7.137 6.918 -11.766 1.00 0.00 C ATOM 700 C GLY A 54 7.939 5.717 -11.304 1.00 0.00 C ATOM 701 O GLY A 54 8.566 5.030 -12.113 1.00 0.00 O ATOM 0 H GLY A 54 6.192 7.340 -9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.240 6.576 -12.282 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.723 7.487 -12.488 1.00 0.00 H new ATOM 705 N THR A 55 7.921 5.461 -10.000 1.00 0.00 N ATOM 706 CA THR A 55 8.655 4.336 -9.432 1.00 0.00 C ATOM 707 C THR A 55 7.785 3.547 -8.461 1.00 0.00 C ATOM 708 O THR A 55 6.683 3.972 -8.114 1.00 0.00 O ATOM 709 CB THR A 55 9.925 4.808 -8.698 1.00 0.00 C ATOM 710 OG1 THR A 55 10.214 3.929 -7.605 1.00 0.00 O ATOM 711 CG2 THR A 55 9.755 6.229 -8.180 1.00 0.00 C ATOM 0 H THR A 55 7.406 6.017 -9.317 1.00 0.00 H new ATOM 0 HA THR A 55 8.942 3.693 -10.264 1.00 0.00 H new ATOM 0 HB THR A 55 10.754 4.793 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.023 4.235 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.664 6.540 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.564 6.901 -9.017 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.915 6.265 -7.486 1.00 0.00 H new ATOM 719 N GLU A 56 8.286 2.395 -8.026 1.00 0.00 N ATOM 720 CA GLU A 56 7.553 1.546 -7.094 1.00 0.00 C ATOM 721 C GLU A 56 8.293 1.430 -5.766 1.00 0.00 C ATOM 722 O GLU A 56 9.507 1.620 -5.701 1.00 0.00 O ATOM 723 CB GLU A 56 7.341 0.155 -7.697 1.00 0.00 C ATOM 724 CG GLU A 56 8.597 -0.700 -7.713 1.00 0.00 C ATOM 725 CD GLU A 56 9.398 -0.536 -8.990 1.00 0.00 C ATOM 726 OE1 GLU A 56 10.204 0.415 -9.066 1.00 0.00 O ATOM 727 OE2 GLU A 56 9.219 -1.357 -9.912 1.00 0.00 O ATOM 0 H GLU A 56 9.196 2.028 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 56 6.582 2.006 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.567 -0.363 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.972 0.263 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.222 -0.436 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.320 -1.748 -7.594 1.00 0.00 H new ATOM 734 N ALA A 57 7.552 1.116 -4.708 1.00 0.00 N ATOM 735 CA ALA A 57 8.137 0.972 -3.381 1.00 0.00 C ATOM 736 C ALA A 57 7.784 -0.379 -2.768 1.00 0.00 C ATOM 737 O ALA A 57 6.786 -0.996 -3.139 1.00 0.00 O ATOM 738 CB ALA A 57 7.674 2.102 -2.475 1.00 0.00 C ATOM 0 H ALA A 57 6.545 0.957 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 57 9.221 1.023 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.119 1.982 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.983 3.058 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.588 2.078 -2.389 1.00 0.00 H new ATOM 744 N GLU A 58 8.608 -0.831 -1.828 1.00 0.00 N ATOM 745 CA GLU A 58 8.382 -2.111 -1.166 1.00 0.00 C ATOM 746 C GLU A 58 7.367 -1.966 -0.036 1.00 0.00 C ATOM 747 O GLU A 58 7.471 -1.065 0.795 1.00 0.00 O ATOM 748 CB GLU A 58 9.697 -2.665 -0.616 1.00 0.00 C ATOM 749 CG GLU A 58 10.414 -1.712 0.325 1.00 0.00 C ATOM 750 CD GLU A 58 11.555 -2.375 1.071 1.00 0.00 C ATOM 751 OE1 GLU A 58 12.413 -2.997 0.410 1.00 0.00 O ATOM 752 OE2 GLU A 58 11.590 -2.275 2.315 1.00 0.00 O ATOM 0 H GLU A 58 9.437 -0.331 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 58 7.983 -2.807 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.496 -3.599 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.357 -2.904 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.800 -0.867 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.699 -1.311 1.044 1.00 0.00 H new ATOM 759 N ALA A 59 6.383 -2.859 -0.014 1.00 0.00 N ATOM 760 CA ALA A 59 5.349 -2.833 1.013 1.00 0.00 C ATOM 761 C ALA A 59 5.464 -4.038 1.940 1.00 0.00 C ATOM 762 O ALA A 59 5.798 -5.139 1.502 1.00 0.00 O ATOM 763 CB ALA A 59 3.969 -2.787 0.373 1.00 0.00 C ATOM 0 H ALA A 59 6.280 -3.610 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 59 5.490 -1.933 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.207 -2.768 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.882 -1.891 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.828 -3.669 -0.251 1.00 0.00 H new ATOM 769 N ASP A 60 5.188 -3.823 3.221 1.00 0.00 N ATOM 770 CA ASP A 60 5.260 -4.893 4.209 1.00 0.00 C ATOM 771 C ASP A 60 4.044 -5.807 4.110 1.00 0.00 C ATOM 772 O ASP A 60 2.912 -5.340 3.981 1.00 0.00 O ATOM 773 CB ASP A 60 5.361 -4.307 5.619 1.00 0.00 C ATOM 774 CG ASP A 60 6.532 -3.356 5.769 1.00 0.00 C ATOM 775 OD1 ASP A 60 7.684 -3.798 5.574 1.00 0.00 O ATOM 776 OD2 ASP A 60 6.298 -2.171 6.082 1.00 0.00 O ATOM 0 H ASP A 60 4.912 -2.917 3.600 1.00 0.00 H new ATOM 0 HA ASP A 60 6.153 -5.484 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.437 -3.781 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.461 -5.118 6.340 1.00 0.00 H new ATOM 781 N VAL A 61 4.284 -7.113 4.171 1.00 0.00 N ATOM 782 CA VAL A 61 3.209 -8.093 4.088 1.00 0.00 C ATOM 783 C VAL A 61 3.333 -9.139 5.192 1.00 0.00 C ATOM 784 O VAL A 61 4.384 -9.758 5.360 1.00 0.00 O ATOM 785 CB VAL A 61 3.201 -8.804 2.722 1.00 0.00 C ATOM 786 CG1 VAL A 61 2.005 -9.738 2.612 1.00 0.00 C ATOM 787 CG2 VAL A 61 3.197 -7.784 1.593 1.00 0.00 C ATOM 0 H VAL A 61 5.215 -7.517 4.278 1.00 0.00 H new ATOM 0 HA VAL A 61 2.273 -7.547 4.210 1.00 0.00 H new ATOM 0 HB VAL A 61 4.107 -9.403 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.017 -10.231 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.056 -10.489 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.084 -9.164 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.191 -8.302 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.309 -7.157 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.088 -7.160 1.663 1.00 0.00 H new ATOM 797 N ILE A 62 2.251 -9.331 5.940 1.00 0.00 N ATOM 798 CA ILE A 62 2.239 -10.303 7.026 1.00 0.00 C ATOM 799 C ILE A 62 1.086 -11.289 6.869 1.00 0.00 C ATOM 800 O ILE A 62 -0.081 -10.897 6.856 1.00 0.00 O ATOM 801 CB ILE A 62 2.125 -9.613 8.399 1.00 0.00 C ATOM 802 CG1 ILE A 62 3.244 -8.584 8.570 1.00 0.00 C ATOM 803 CG2 ILE A 62 2.171 -10.644 9.516 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.905 -7.223 8.003 1.00 0.00 C ATOM 0 H ILE A 62 1.373 -8.827 5.814 1.00 0.00 H new ATOM 0 HA ILE A 62 3.185 -10.842 6.976 1.00 0.00 H new ATOM 0 HB ILE A 62 1.168 -9.094 8.450 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.472 -8.480 9.631 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.146 -8.956 8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.089 -10.141 10.479 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.343 -11.343 9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.114 -11.188 9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.744 -6.544 8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.706 -7.313 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.021 -6.830 8.505 1.00 0.00 H new ATOM 816 N GLU A 63 1.421 -12.570 6.750 1.00 0.00 N ATOM 817 CA GLU A 63 0.413 -13.611 6.594 1.00 0.00 C ATOM 818 C GLU A 63 -0.197 -13.984 7.942 1.00 0.00 C ATOM 819 O GLU A 63 0.450 -13.870 8.981 1.00 0.00 O ATOM 820 CB GLU A 63 1.026 -14.851 5.939 1.00 0.00 C ATOM 821 CG GLU A 63 2.160 -15.466 6.741 1.00 0.00 C ATOM 822 CD GLU A 63 2.749 -16.694 6.074 1.00 0.00 C ATOM 823 OE1 GLU A 63 2.106 -17.762 6.125 1.00 0.00 O ATOM 824 OE2 GLU A 63 3.854 -16.585 5.502 1.00 0.00 O ATOM 0 H GLU A 63 2.382 -12.911 6.759 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.377 -13.222 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.246 -15.599 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.396 -14.583 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.945 -14.723 6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.794 -15.736 7.732 1.00 0.00 H new ATOM 831 N ASN A 64 -1.449 -14.429 7.915 1.00 0.00 N ATOM 832 CA ASN A 64 -2.149 -14.818 9.135 1.00 0.00 C ATOM 833 C ASN A 64 -2.726 -16.224 9.007 1.00 0.00 C ATOM 834 O ASN A 64 -2.956 -16.713 7.901 1.00 0.00 O ATOM 835 CB ASN A 64 -3.269 -13.822 9.444 1.00 0.00 C ATOM 836 CG ASN A 64 -2.781 -12.637 10.256 1.00 0.00 C ATOM 837 OD1 ASN A 64 -3.050 -12.539 11.454 1.00 0.00 O ATOM 838 ND2 ASN A 64 -2.059 -11.732 9.607 1.00 0.00 N ATOM 0 H ASN A 64 -2.000 -14.529 7.062 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.430 -14.813 9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.702 -13.465 8.510 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.064 -14.331 9.990 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.702 -10.914 10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.861 -11.854 8.614 1.00 0.00 H new ATOM 845 N GLU A 65 -2.957 -16.869 10.146 1.00 0.00 N ATOM 846 CA GLU A 65 -3.506 -18.220 10.160 1.00 0.00 C ATOM 847 C GLU A 65 -4.876 -18.257 9.489 1.00 0.00 C ATOM 848 O GLU A 65 -5.322 -19.305 9.022 1.00 0.00 O ATOM 849 CB GLU A 65 -3.615 -18.734 11.597 1.00 0.00 C ATOM 850 CG GLU A 65 -3.680 -20.249 11.698 1.00 0.00 C ATOM 851 CD GLU A 65 -2.460 -20.926 11.104 1.00 0.00 C ATOM 852 OE1 GLU A 65 -1.371 -20.313 11.128 1.00 0.00 O ATOM 853 OE2 GLU A 65 -2.592 -22.067 10.614 1.00 0.00 O ATOM 0 H GLU A 65 -2.773 -16.478 11.070 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.830 -18.866 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.758 -18.377 12.168 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.506 -18.309 12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.776 -20.536 12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.574 -20.606 11.186 1.00 0.00 H new ATOM 860 N ASP A 66 -5.539 -17.106 9.446 1.00 0.00 N ATOM 861 CA ASP A 66 -6.858 -17.006 8.832 1.00 0.00 C ATOM 862 C ASP A 66 -6.741 -16.779 7.328 1.00 0.00 C ATOM 863 O ASP A 66 -7.589 -16.127 6.720 1.00 0.00 O ATOM 864 CB ASP A 66 -7.655 -15.869 9.471 1.00 0.00 C ATOM 865 CG ASP A 66 -7.862 -16.072 10.959 1.00 0.00 C ATOM 866 OD1 ASP A 66 -7.645 -17.204 11.440 1.00 0.00 O ATOM 867 OD2 ASP A 66 -8.239 -15.097 11.643 1.00 0.00 O ATOM 0 H ASP A 66 -5.185 -16.230 9.829 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.383 -17.947 9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.134 -14.926 9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.625 -15.788 8.980 1.00 0.00 H new ATOM 872 N GLY A 67 -5.683 -17.322 6.733 1.00 0.00 N ATOM 873 CA GLY A 67 -5.474 -17.167 5.304 1.00 0.00 C ATOM 874 C GLY A 67 -5.645 -15.732 4.846 1.00 0.00 C ATOM 875 O GLY A 67 -6.281 -15.469 3.826 1.00 0.00 O ATOM 0 H GLY A 67 -4.967 -17.866 7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.472 -17.510 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.177 -17.803 4.766 1.00 0.00 H new ATOM 879 N THR A 68 -5.077 -14.798 5.603 1.00 0.00 N ATOM 880 CA THR A 68 -5.171 -13.382 5.271 1.00 0.00 C ATOM 881 C THR A 68 -3.788 -12.758 5.127 1.00 0.00 C ATOM 882 O THR A 68 -2.774 -13.409 5.376 1.00 0.00 O ATOM 883 CB THR A 68 -5.964 -12.607 6.340 1.00 0.00 C ATOM 884 OG1 THR A 68 -5.762 -13.201 7.627 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.448 -12.593 6.010 1.00 0.00 C ATOM 0 H THR A 68 -4.547 -14.997 6.451 1.00 0.00 H new ATOM 0 HA THR A 68 -5.697 -13.314 4.319 1.00 0.00 H new ATOM 0 HB THR A 68 -5.602 -11.579 6.354 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.268 -12.701 8.301 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.987 -12.040 6.779 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.601 -12.113 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.822 -13.616 5.970 1.00 0.00 H new ATOM 893 N TYR A 69 -3.756 -11.492 4.724 1.00 0.00 N ATOM 894 CA TYR A 69 -2.496 -10.780 4.545 1.00 0.00 C ATOM 895 C TYR A 69 -2.656 -9.299 4.875 1.00 0.00 C ATOM 896 O TYR A 69 -3.418 -8.585 4.223 1.00 0.00 O ATOM 897 CB TYR A 69 -1.994 -10.943 3.109 1.00 0.00 C ATOM 898 CG TYR A 69 -1.440 -12.318 2.813 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.288 -13.405 2.636 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.072 -12.531 2.711 1.00 0.00 C ATOM 901 CE1 TYR A 69 -1.787 -14.665 2.367 1.00 0.00 C ATOM 902 CE2 TYR A 69 0.438 -13.785 2.440 1.00 0.00 C ATOM 903 CZ TYR A 69 -0.423 -14.849 2.268 1.00 0.00 C ATOM 904 OH TYR A 69 0.081 -16.102 2.000 1.00 0.00 O ATOM 0 H TYR A 69 -4.587 -10.939 4.515 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.764 -11.209 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.813 -10.735 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.220 -10.200 2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.356 -13.263 2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.605 -11.701 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.459 -15.500 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.505 -13.932 2.363 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.564 -16.606 1.461 1.00 0.00 H new ATOM 914 N ASP A 70 -1.930 -8.845 5.891 1.00 0.00 N ATOM 915 CA ASP A 70 -1.990 -7.449 6.309 1.00 0.00 C ATOM 916 C ASP A 70 -0.903 -6.630 5.619 1.00 0.00 C ATOM 917 O ASP A 70 0.267 -7.012 5.614 1.00 0.00 O ATOM 918 CB ASP A 70 -1.839 -7.342 7.827 1.00 0.00 C ATOM 919 CG ASP A 70 -3.091 -7.776 8.565 1.00 0.00 C ATOM 920 OD1 ASP A 70 -3.359 -8.995 8.614 1.00 0.00 O ATOM 921 OD2 ASP A 70 -3.803 -6.896 9.093 1.00 0.00 O ATOM 0 H ASP A 70 -1.294 -9.423 6.440 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.962 -7.049 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.999 -7.957 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.602 -6.312 8.094 1.00 0.00 H new ATOM 926 N ILE A 71 -1.300 -5.503 5.037 1.00 0.00 N ATOM 927 CA ILE A 71 -0.360 -4.630 4.344 1.00 0.00 C ATOM 928 C ILE A 71 -0.508 -3.184 4.807 1.00 0.00 C ATOM 929 O ILE A 71 -1.620 -2.666 4.914 1.00 0.00 O ATOM 930 CB ILE A 71 -0.556 -4.690 2.818 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.405 -6.129 2.319 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.439 -3.775 2.119 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.207 -6.423 1.070 1.00 0.00 C ATOM 0 H ILE A 71 -2.265 -5.173 5.032 1.00 0.00 H new ATOM 0 HA ILE A 71 0.640 -4.987 4.588 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.563 -4.347 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.648 -6.327 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.714 -6.813 3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.288 -3.829 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.289 -2.749 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.454 -4.091 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.052 -7.460 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.266 -6.257 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.882 -5.764 0.265 1.00 0.00 H new ATOM 945 N PHE A 72 0.620 -2.538 5.081 1.00 0.00 N ATOM 946 CA PHE A 72 0.617 -1.151 5.532 1.00 0.00 C ATOM 947 C PHE A 72 1.549 -0.298 4.676 1.00 0.00 C ATOM 948 O PHE A 72 2.554 -0.786 4.160 1.00 0.00 O ATOM 949 CB PHE A 72 1.038 -1.070 7.001 1.00 0.00 C ATOM 950 CG PHE A 72 0.424 -2.137 7.861 1.00 0.00 C ATOM 951 CD1 PHE A 72 0.804 -3.463 7.720 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.533 -1.817 8.809 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.241 -4.448 8.510 1.00 0.00 C ATOM 954 CE2 PHE A 72 -1.099 -2.797 9.602 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.712 -4.114 9.452 1.00 0.00 C ATOM 0 H PHE A 72 1.548 -2.953 4.999 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.397 -0.764 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.124 -1.144 7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.762 -0.092 7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.549 -3.729 6.984 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.841 -0.789 8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.546 -5.477 8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.843 -2.533 10.339 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.154 -4.881 10.070 1.00 0.00 H new ATOM 965 N TYR A 73 1.206 0.976 4.531 1.00 0.00 N ATOM 966 CA TYR A 73 2.010 1.898 3.735 1.00 0.00 C ATOM 967 C TYR A 73 1.664 3.346 4.066 1.00 0.00 C ATOM 968 O TYR A 73 0.599 3.635 4.611 1.00 0.00 O ATOM 969 CB TYR A 73 1.793 1.637 2.243 1.00 0.00 C ATOM 970 CG TYR A 73 0.526 2.257 1.698 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.466 3.613 1.399 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.609 1.487 1.481 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.690 4.183 0.902 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.769 2.048 0.982 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.804 3.397 0.694 1.00 0.00 C ATOM 976 OH TYR A 73 -2.957 3.960 0.197 1.00 0.00 O ATOM 0 H TYR A 73 0.377 1.395 4.953 1.00 0.00 H new ATOM 0 HA TYR A 73 3.059 1.730 3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.646 2.026 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.764 0.561 2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.337 4.231 1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.585 0.431 1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.721 5.239 0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.643 1.435 0.818 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.707 3.344 0.333 1.00 0.00 H new ATOM 986 N THR A 74 2.575 4.256 3.730 1.00 0.00 N ATOM 987 CA THR A 74 2.369 5.675 3.990 1.00 0.00 C ATOM 988 C THR A 74 2.546 6.499 2.720 1.00 0.00 C ATOM 989 O THR A 74 3.305 6.124 1.827 1.00 0.00 O ATOM 990 CB THR A 74 3.341 6.195 5.066 1.00 0.00 C ATOM 991 OG1 THR A 74 3.157 5.469 6.285 1.00 0.00 O ATOM 992 CG2 THR A 74 3.127 7.681 5.316 1.00 0.00 C ATOM 0 H THR A 74 3.462 4.034 3.277 1.00 0.00 H new ATOM 0 HA THR A 74 1.346 5.785 4.350 1.00 0.00 H new ATOM 0 HB THR A 74 4.359 6.046 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.730 4.674 6.282 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.824 8.026 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.298 8.234 4.392 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.105 7.849 5.656 1.00 0.00 H new ATOM 1000 N ALA A 75 1.840 7.622 2.646 1.00 0.00 N ATOM 1001 CA ALA A 75 1.922 8.500 1.486 1.00 0.00 C ATOM 1002 C ALA A 75 2.819 9.700 1.767 1.00 0.00 C ATOM 1003 O ALA A 75 2.364 10.719 2.286 1.00 0.00 O ATOM 1004 CB ALA A 75 0.531 8.964 1.075 1.00 0.00 C ATOM 0 H ALA A 75 1.205 7.945 3.376 1.00 0.00 H new ATOM 0 HA ALA A 75 2.363 7.934 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.608 9.619 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.082 8.098 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.070 9.507 1.900 1.00 0.00 H new ATOM 1010 N ALA A 76 4.096 9.572 1.422 1.00 0.00 N ATOM 1011 CA ALA A 76 5.057 10.647 1.635 1.00 0.00 C ATOM 1012 C ALA A 76 4.615 11.928 0.935 1.00 0.00 C ATOM 1013 O ALA A 76 4.538 12.990 1.551 1.00 0.00 O ATOM 1014 CB ALA A 76 6.436 10.227 1.150 1.00 0.00 C ATOM 0 H ALA A 76 4.489 8.734 0.994 1.00 0.00 H new ATOM 0 HA ALA A 76 5.106 10.848 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.143 11.040 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.762 9.345 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.392 9.995 0.086 1.00 0.00 H new ATOM 1020 N LYS A 77 4.325 11.819 -0.357 1.00 0.00 N ATOM 1021 CA LYS A 77 3.889 12.966 -1.144 1.00 0.00 C ATOM 1022 C LYS A 77 2.532 12.703 -1.787 1.00 0.00 C ATOM 1023 O LYS A 77 2.185 11.568 -2.117 1.00 0.00 O ATOM 1024 CB LYS A 77 4.923 13.293 -2.223 1.00 0.00 C ATOM 1025 CG LYS A 77 4.968 12.274 -3.350 1.00 0.00 C ATOM 1026 CD LYS A 77 6.253 12.387 -4.153 1.00 0.00 C ATOM 1027 CE LYS A 77 7.367 11.554 -3.540 1.00 0.00 C ATOM 1028 NZ LYS A 77 8.133 12.318 -2.515 1.00 0.00 N ATOM 0 H LYS A 77 4.384 10.946 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 77 3.792 13.819 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.702 14.275 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.909 13.357 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.883 11.269 -2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.112 12.421 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.074 12.060 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.562 13.431 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.943 10.660 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.045 11.220 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.152 12.165 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.919 13.332 -2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.864 11.991 -1.565 1.00 0.00 H new ATOM 1042 N PRO A 78 1.744 13.773 -1.970 1.00 0.00 N ATOM 1043 CA PRO A 78 0.414 13.682 -2.578 1.00 0.00 C ATOM 1044 C PRO A 78 0.476 13.349 -4.065 1.00 0.00 C ATOM 1045 O PRO A 78 1.474 13.623 -4.731 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.170 15.081 -2.366 1.00 0.00 C ATOM 1047 CG PRO A 78 1.018 15.974 -2.259 1.00 0.00 C ATOM 1048 CD PRO A 78 2.094 15.155 -1.600 1.00 0.00 C ATOM 0 HA PRO A 78 -0.182 12.885 -2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.811 15.373 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.780 15.123 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.337 16.318 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.787 16.862 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.085 15.429 -1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.099 15.293 -0.519 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.598 12.758 -4.581 1.00 0.00 N ATOM 1057 CA GLY A 79 -0.643 12.399 -5.986 1.00 0.00 C ATOM 1058 C GLY A 79 -1.478 11.160 -6.241 1.00 0.00 C ATOM 1059 O GLY A 79 -2.325 10.794 -5.425 1.00 0.00 O ATOM 0 H GLY A 79 -1.437 12.522 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.051 13.232 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.371 12.231 -6.348 1.00 0.00 H new ATOM 1063 N THR A 80 -1.244 10.513 -7.379 1.00 0.00 N ATOM 1064 CA THR A 80 -1.982 9.311 -7.740 1.00 0.00 C ATOM 1065 C THR A 80 -1.125 8.063 -7.557 1.00 0.00 C ATOM 1066 O THR A 80 -0.147 7.859 -8.275 1.00 0.00 O ATOM 1067 CB THR A 80 -2.475 9.371 -9.199 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.090 10.639 -9.456 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.467 8.254 -9.481 1.00 0.00 C ATOM 0 H THR A 80 -0.548 10.803 -8.066 1.00 0.00 H new ATOM 0 HA THR A 80 -2.844 9.258 -7.074 1.00 0.00 H new ATOM 0 HB THR A 80 -1.614 9.245 -9.856 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.399 10.670 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.801 8.317 -10.517 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.987 7.290 -9.312 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.325 8.353 -8.816 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.500 7.231 -6.592 1.00 0.00 N ATOM 1078 CA TYR A 81 -0.765 6.003 -6.313 1.00 0.00 C ATOM 1079 C TYR A 81 -1.491 4.791 -6.887 1.00 0.00 C ATOM 1080 O TYR A 81 -2.720 4.750 -6.926 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.573 5.831 -4.805 1.00 0.00 C ATOM 1082 CG TYR A 81 0.457 6.767 -4.214 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.295 8.145 -4.291 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.591 6.275 -3.580 1.00 0.00 C ATOM 1085 CE1 TYR A 81 1.233 9.005 -3.753 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.533 7.127 -3.039 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.350 8.492 -3.127 1.00 0.00 C ATOM 1088 OH TYR A 81 3.287 9.344 -2.590 1.00 0.00 O ATOM 0 H TYR A 81 -2.309 7.385 -5.990 1.00 0.00 H new ATOM 0 HA TYR A 81 0.212 6.077 -6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.528 5.993 -4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.277 4.802 -4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.579 8.550 -4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.738 5.207 -3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.092 10.074 -3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.409 6.727 -2.549 1.00 0.00 H new ATOM 0 HH TYR A 81 2.836 10.036 -2.063 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.721 3.803 -7.330 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.288 2.587 -7.900 1.00 0.00 C ATOM 1100 C VAL A 82 -0.811 1.351 -7.146 1.00 0.00 C ATOM 1101 O VAL A 82 0.367 0.996 -7.198 1.00 0.00 O ATOM 1102 CB VAL A 82 -0.920 2.440 -9.389 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.523 1.168 -9.965 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.379 3.660 -10.173 1.00 0.00 C ATOM 0 H VAL A 82 0.299 3.821 -7.305 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.371 2.670 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 82 0.164 2.369 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.252 1.081 -11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.141 0.305 -9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.608 1.205 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.111 3.540 -11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.460 3.764 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.895 4.552 -9.775 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.734 0.700 -6.446 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.408 -0.498 -5.682 1.00 0.00 C ATOM 1116 C ILE A 83 -1.797 -1.760 -6.445 1.00 0.00 C ATOM 1117 O ILE A 83 -2.936 -1.905 -6.888 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.114 -0.503 -4.313 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.691 0.719 -3.494 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.801 -1.787 -3.559 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.736 1.169 -2.496 1.00 0.00 C ATOM 0 H ILE A 83 -2.713 0.982 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.329 -0.488 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.191 -0.455 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.768 0.488 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.470 1.543 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.307 -1.775 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.146 -2.643 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.725 -1.864 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.368 2.039 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.653 1.432 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.940 0.361 -1.794 1.00 0.00 H new ATOM 1133 N TYR A 84 -0.842 -2.672 -6.594 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.083 -3.922 -7.305 1.00 0.00 C ATOM 1135 C TYR A 84 -1.290 -5.073 -6.326 1.00 0.00 C ATOM 1136 O TYR A 84 -0.465 -5.310 -5.445 1.00 0.00 O ATOM 1137 CB TYR A 84 0.086 -4.236 -8.240 1.00 0.00 C ATOM 1138 CG TYR A 84 0.334 -3.168 -9.280 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -0.687 -2.740 -10.122 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.587 -2.586 -9.425 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.465 -1.765 -11.074 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.817 -1.610 -10.374 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.788 -1.203 -11.197 1.00 0.00 C ATOM 1144 OH TYR A 84 1.014 -0.231 -12.145 1.00 0.00 O ATOM 0 H TYR A 84 0.106 -2.569 -6.232 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.990 -3.805 -7.897 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.990 -4.369 -7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.107 -5.183 -8.743 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.670 -3.178 -10.030 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.396 -2.903 -8.784 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.269 -1.444 -11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.797 -1.168 -10.471 1.00 0.00 H new ATOM 0 HH TYR A 84 0.156 0.111 -12.474 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.400 -5.787 -6.489 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.717 -6.915 -5.622 1.00 0.00 C ATOM 1156 C VAL A 85 -3.149 -8.129 -6.437 1.00 0.00 C ATOM 1157 O VAL A 85 -3.862 -8.001 -7.431 1.00 0.00 O ATOM 1158 CB VAL A 85 -3.832 -6.559 -4.621 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.163 -7.754 -3.741 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.427 -5.361 -3.777 1.00 0.00 C ATOM 0 H VAL A 85 -3.094 -5.604 -7.214 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.808 -7.155 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.728 -6.293 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.953 -7.482 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.500 -8.583 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.274 -8.055 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.227 -5.123 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.517 -5.596 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.246 -4.504 -4.425 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.712 -9.309 -6.007 1.00 0.00 N ATOM 1171 CA ARG A 86 -3.053 -10.548 -6.696 1.00 0.00 C ATOM 1172 C ARG A 86 -3.178 -11.704 -5.709 1.00 0.00 C ATOM 1173 O ARG A 86 -2.668 -11.635 -4.590 1.00 0.00 O ATOM 1174 CB ARG A 86 -1.996 -10.876 -7.752 1.00 0.00 C ATOM 1175 CG ARG A 86 -0.716 -11.456 -7.172 1.00 0.00 C ATOM 1176 CD ARG A 86 0.493 -11.098 -8.022 1.00 0.00 C ATOM 1177 NE ARG A 86 0.874 -9.696 -7.869 1.00 0.00 N ATOM 1178 CZ ARG A 86 1.889 -9.136 -8.517 1.00 0.00 C ATOM 1179 NH1 ARG A 86 2.620 -9.854 -9.359 1.00 0.00 N ATOM 1180 NH2 ARG A 86 2.173 -7.854 -8.324 1.00 0.00 N ATOM 0 H ARG A 86 -2.121 -9.433 -5.185 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.016 -10.408 -7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.415 -11.585 -8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.755 -9.969 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.573 -11.082 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.805 -12.540 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.333 -11.734 -7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.272 -11.301 -9.070 1.00 0.00 H new ATOM 0 HE ARG A 86 0.331 -9.116 -7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.403 -10.839 -9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.399 -9.421 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.612 -7.299 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.953 -7.424 -8.822 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.859 -12.764 -6.129 1.00 0.00 N ATOM 1195 CA PHE A 87 -4.053 -13.934 -5.282 1.00 0.00 C ATOM 1196 C PHE A 87 -3.680 -15.213 -6.026 1.00 0.00 C ATOM 1197 O PHE A 87 -4.392 -15.648 -6.931 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.505 -14.013 -4.807 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.735 -15.058 -3.752 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -5.231 -14.892 -2.472 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -6.457 -16.204 -4.041 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -5.441 -15.852 -1.500 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.671 -17.167 -3.073 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.163 -16.991 -1.801 1.00 0.00 C ATOM 0 H PHE A 87 -4.286 -12.837 -7.052 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.400 -13.835 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.804 -13.041 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.148 -14.224 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.668 -14.003 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.857 -16.347 -5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.041 -15.712 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.235 -18.057 -3.311 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.330 -17.742 -1.043 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.557 -15.811 -5.639 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.109 -17.033 -6.280 1.00 0.00 C ATOM 1216 C GLY A 88 -1.670 -16.809 -7.713 1.00 0.00 C ATOM 1217 O GLY A 88 -1.546 -17.756 -8.488 1.00 0.00 O ATOM 0 H GLY A 88 -1.950 -15.471 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.280 -17.455 -5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.915 -17.766 -6.261 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.433 -15.549 -8.068 1.00 0.00 N ATOM 1222 CA GLY A 89 -1.010 -15.225 -9.418 1.00 0.00 C ATOM 1223 C GLY A 89 -2.136 -14.655 -10.258 1.00 0.00 C ATOM 1224 O GLY A 89 -2.010 -14.531 -11.476 1.00 0.00 O ATOM 0 H GLY A 89 -1.527 -14.747 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.192 -14.506 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.621 -16.123 -9.899 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.241 -14.308 -9.606 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.395 -13.748 -10.300 1.00 0.00 C ATOM 1230 C VAL A 90 -4.705 -12.340 -9.805 1.00 0.00 C ATOM 1231 O VAL A 90 -4.933 -12.127 -8.614 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.643 -14.631 -10.117 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.832 -14.036 -10.857 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.366 -16.050 -10.590 1.00 0.00 C ATOM 0 H VAL A 90 -3.362 -14.405 -8.598 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.139 -13.709 -11.359 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.888 -14.668 -9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.705 -14.674 -10.716 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.043 -13.041 -10.466 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.601 -13.967 -11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.259 -16.660 -10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.095 -16.035 -11.646 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.545 -16.473 -10.011 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.711 -11.383 -10.726 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.994 -9.994 -10.382 1.00 0.00 C ATOM 1246 C ASP A 91 -6.489 -9.782 -10.163 1.00 0.00 C ATOM 1247 O ASP A 91 -7.263 -9.712 -11.118 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.492 -9.061 -11.485 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.607 -7.598 -11.104 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.773 -7.126 -10.303 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.530 -6.925 -11.607 1.00 0.00 O ATOM 0 H ASP A 91 -4.523 -11.543 -11.716 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.472 -9.762 -9.454 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.451 -9.294 -11.708 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.062 -9.242 -12.397 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.888 -9.684 -8.900 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.290 -9.481 -8.555 1.00 0.00 C ATOM 1258 C ILE A 92 -8.930 -8.429 -9.454 1.00 0.00 C ATOM 1259 O ILE A 92 -8.258 -7.563 -10.015 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.451 -9.050 -7.085 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.419 -7.979 -6.727 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.317 -10.253 -6.163 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.498 -7.521 -5.288 1.00 0.00 C ATOM 0 H ILE A 92 -6.260 -9.742 -8.098 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.793 -10.437 -8.702 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.446 -8.625 -6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.420 -8.369 -6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.558 -7.119 -7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.433 -9.933 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.088 -10.985 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.334 -10.705 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.737 -6.762 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.485 -7.100 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.329 -8.370 -4.626 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.262 -8.503 -9.595 1.00 0.00 N ATOM 1276 CA PRO A 93 -11.024 -7.564 -10.424 1.00 0.00 C ATOM 1277 C PRO A 93 -11.066 -6.163 -9.822 1.00 0.00 C ATOM 1278 O PRO A 93 -11.710 -5.265 -10.363 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.427 -8.175 -10.456 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.514 -8.987 -9.209 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.127 -9.509 -8.957 1.00 0.00 C ATOM 0 HA PRO A 93 -10.578 -7.437 -11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.195 -7.402 -10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.570 -8.793 -11.342 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.861 -8.381 -8.372 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.224 -9.806 -9.325 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.919 -9.599 -7.891 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.984 -10.497 -9.394 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.377 -5.985 -8.699 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.337 -4.693 -8.024 1.00 0.00 C ATOM 1291 C ASN A 94 -8.987 -4.014 -8.228 1.00 0.00 C ATOM 1292 O ASN A 94 -8.800 -2.856 -7.854 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.612 -4.868 -6.529 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.695 -5.893 -6.255 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -11.520 -6.793 -5.435 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.823 -5.760 -6.944 1.00 0.00 N ATOM 0 H ASN A 94 -9.839 -6.719 -8.238 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.111 -4.060 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.693 -5.171 -6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.907 -3.909 -6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.588 -6.420 -6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.924 -4.998 -7.614 1.00 0.00 H new ATOM 1303 N SER A 95 -8.049 -4.741 -8.828 1.00 0.00 N ATOM 1304 CA SER A 95 -6.715 -4.210 -9.080 1.00 0.00 C ATOM 1305 C SER A 95 -6.591 -3.712 -10.517 1.00 0.00 C ATOM 1306 O SER A 95 -7.159 -4.281 -11.450 1.00 0.00 O ATOM 1307 CB SER A 95 -5.657 -5.281 -8.806 1.00 0.00 C ATOM 1308 OG SER A 95 -4.469 -4.704 -8.291 1.00 0.00 O ATOM 0 H SER A 95 -8.189 -5.699 -9.148 1.00 0.00 H new ATOM 0 HA SER A 95 -6.552 -3.368 -8.407 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.048 -6.010 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.434 -5.820 -9.727 1.00 0.00 H new ATOM 0 HG SER A 95 -4.688 -4.133 -7.525 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.830 -2.623 -10.701 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.150 -1.937 -9.599 1.00 0.00 C ATOM 1316 C PRO A 96 -6.127 -1.219 -8.672 1.00 0.00 C ATOM 1317 O PRO A 96 -7.340 -1.269 -8.874 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.249 -0.927 -10.312 1.00 0.00 C ATOM 1319 CG PRO A 96 -4.917 -0.680 -11.621 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.577 -1.977 -12.000 1.00 0.00 C ATOM 0 HA PRO A 96 -4.609 -2.633 -8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.154 -0.006 -9.736 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.243 -1.322 -10.450 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.651 0.122 -11.540 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.194 -0.375 -12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.501 -1.811 -12.553 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.932 -2.586 -12.633 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.589 -0.550 -7.658 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.413 0.178 -6.700 1.00 0.00 C ATOM 1330 C PHE A 97 -6.105 1.672 -6.744 1.00 0.00 C ATOM 1331 O PHE A 97 -5.004 2.103 -6.402 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.183 -0.359 -5.286 1.00 0.00 C ATOM 1333 CG PHE A 97 -6.956 -1.613 -4.990 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.623 -2.810 -5.604 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -8.015 -1.596 -4.096 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.331 -3.966 -5.332 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.727 -2.748 -3.820 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.385 -3.934 -4.441 1.00 0.00 C ATOM 0 H PHE A 97 -4.586 -0.497 -7.478 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.458 0.031 -6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.120 -0.556 -5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.461 0.409 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.801 -2.840 -6.303 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.287 -0.671 -3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.060 -4.893 -5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.549 -2.721 -3.120 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.942 -4.835 -4.230 1.00 0.00 H new ATOM 1348 N THR A 98 -7.089 2.460 -7.169 1.00 0.00 N ATOM 1349 CA THR A 98 -6.925 3.905 -7.260 1.00 0.00 C ATOM 1350 C THR A 98 -6.958 4.550 -5.880 1.00 0.00 C ATOM 1351 O THR A 98 -8.001 4.594 -5.229 1.00 0.00 O ATOM 1352 CB THR A 98 -8.020 4.541 -8.137 1.00 0.00 C ATOM 1353 OG1 THR A 98 -7.968 3.993 -9.459 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.853 6.051 -8.202 1.00 0.00 C ATOM 0 H THR A 98 -8.007 2.121 -7.455 1.00 0.00 H new ATOM 0 HA THR A 98 -5.953 4.084 -7.719 1.00 0.00 H new ATOM 0 HB THR A 98 -8.988 4.318 -7.689 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.668 4.401 -10.010 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.638 6.477 -8.827 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.922 6.468 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.879 6.291 -8.628 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.808 5.051 -5.438 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.706 5.696 -4.134 1.00 0.00 C ATOM 1364 C VAL A 99 -5.195 7.126 -4.267 1.00 0.00 C ATOM 1365 O VAL A 99 -4.051 7.354 -4.660 1.00 0.00 O ATOM 1366 CB VAL A 99 -4.770 4.913 -3.193 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -4.683 5.597 -1.837 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.245 3.476 -3.045 1.00 0.00 C ATOM 0 H VAL A 99 -4.934 5.022 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.709 5.710 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.772 4.898 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.018 5.030 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.293 6.607 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.676 5.645 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.573 2.937 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.253 3.467 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.251 2.992 -4.022 1.00 0.00 H new ATOM 1378 N MET A 100 -6.051 8.087 -3.937 1.00 0.00 N ATOM 1379 CA MET A 100 -5.685 9.497 -4.018 1.00 0.00 C ATOM 1380 C MET A 100 -5.304 10.039 -2.645 1.00 0.00 C ATOM 1381 O MET A 100 -6.107 10.013 -1.712 1.00 0.00 O ATOM 1382 CB MET A 100 -6.841 10.313 -4.599 1.00 0.00 C ATOM 1383 CG MET A 100 -6.424 11.688 -5.097 1.00 0.00 C ATOM 1384 SD MET A 100 -5.670 11.635 -6.735 1.00 0.00 S ATOM 1385 CE MET A 100 -4.891 13.246 -6.800 1.00 0.00 C ATOM 0 H MET A 100 -7.002 7.916 -3.611 1.00 0.00 H new ATOM 0 HA MET A 100 -4.821 9.585 -4.676 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.289 9.758 -5.423 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.612 10.430 -3.837 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.297 12.340 -5.124 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.719 12.127 -4.391 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.381 13.365 -7.756 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.650 14.022 -6.694 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.167 13.333 -5.990 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.074 10.531 -2.527 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.589 11.081 -1.268 1.00 0.00 C ATOM 1397 C ALA A 101 -3.804 12.589 -1.209 1.00 0.00 C ATOM 1398 O ALA A 101 -3.538 13.304 -2.176 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.116 10.748 -1.080 1.00 0.00 C ATOM 0 H ALA A 101 -3.396 10.559 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.159 10.627 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.766 11.165 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.986 9.666 -1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.539 11.174 -1.901 1.00 0.00 H new ATOM 1405 N THR A 102 -4.288 13.070 -0.067 1.00 0.00 N ATOM 1406 CA THR A 102 -4.541 14.493 0.117 1.00 0.00 C ATOM 1407 C THR A 102 -3.762 15.040 1.308 1.00 0.00 C ATOM 1408 O THR A 102 -3.587 14.354 2.316 1.00 0.00 O ATOM 1409 CB THR A 102 -6.041 14.775 0.326 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.517 14.064 1.474 1.00 0.00 O ATOM 1411 CG2 THR A 102 -6.844 14.366 -0.898 1.00 0.00 C ATOM 0 H THR A 102 -4.512 12.494 0.744 1.00 0.00 H new ATOM 0 HA THR A 102 -4.208 14.993 -0.792 1.00 0.00 H new ATOM 0 HB THR A 102 -6.169 15.846 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.471 14.249 1.601 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.900 14.575 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.499 14.930 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.710 13.300 -1.082 1.00 0.00 H new