USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.00199 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot 150:sc= 1.06 USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -5.03! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= -0.434 K(o=-0.43,f=-11!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot -15:sc= -1.1 USER MOD Single : A 264 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 265 CYS SG : rot -9:sc= -1.03! USER MOD Single : A 266 GLN : amide:sc= -0.485 K(o=-0.49,f=-1.1) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot -149:sc= -0.71 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -4.95! C(o=-5.9!,f=-5!) USER MOD Single : A 277 LYS NZ :NH3+ 144:sc= -1.29 (180deg=-4.32!) USER MOD Single : A 279 THR OG1 : rot 180:sc=-0.00251 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 214 5.647 1.979 -4.384 1.00 0.00 N ATOM 81 CA ILE A 214 4.774 0.813 -4.452 1.00 0.00 C ATOM 82 C ILE A 214 5.555 -0.432 -4.859 1.00 0.00 C ATOM 83 O ILE A 214 6.487 -0.359 -5.659 1.00 0.00 O ATOM 84 CB ILE A 214 3.616 1.035 -5.443 1.00 0.00 C ATOM 85 CG1 ILE A 214 2.859 2.319 -5.093 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.672 -0.160 -5.439 1.00 0.00 C ATOM 87 CD1 ILE A 214 1.707 2.617 -6.027 1.00 0.00 C ATOM 0 HA ILE A 214 4.359 0.666 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 214 4.031 1.138 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.479 2.240 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.555 3.157 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 214 1.860 0.015 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.219 -1.057 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.260 -0.295 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.218 3.541 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 214 2.083 2.728 -7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 214 0.989 1.797 -5.993 1.00 0.00 H new ATOM 99 N GLY A 215 5.168 -1.574 -4.300 1.00 0.00 N ATOM 100 CA GLY A 215 5.841 -2.820 -4.612 1.00 0.00 C ATOM 101 C GLY A 215 7.084 -3.043 -3.768 1.00 0.00 C ATOM 102 O GLY A 215 7.771 -4.052 -3.923 1.00 0.00 O ATOM 0 H GLY A 215 4.399 -1.658 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.150 -3.649 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.117 -2.825 -5.666 1.00 0.00 H new ATOM 106 N ASP A 216 7.374 -2.101 -2.873 1.00 0.00 N ATOM 107 CA ASP A 216 8.542 -2.206 -2.007 1.00 0.00 C ATOM 108 C ASP A 216 8.177 -2.837 -0.669 1.00 0.00 C ATOM 109 O ASP A 216 7.092 -2.605 -0.136 1.00 0.00 O ATOM 110 CB ASP A 216 9.161 -0.827 -1.781 1.00 0.00 C ATOM 111 CG ASP A 216 9.797 -0.264 -3.038 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.366 -0.652 -4.145 1.00 0.00 O ATOM 113 OD2 ASP A 216 10.722 0.565 -2.916 1.00 0.00 O ATOM 0 H ASP A 216 6.816 -1.259 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 216 9.271 -2.848 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.392 -0.140 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.914 -0.894 -0.995 1.00 0.00 H new ATOM 118 N ARG A 217 9.093 -3.633 -0.126 1.00 0.00 N ATOM 119 CA ARG A 217 8.870 -4.293 1.154 1.00 0.00 C ATOM 120 C ARG A 217 9.049 -3.307 2.300 1.00 0.00 C ATOM 121 O ARG A 217 10.023 -2.554 2.341 1.00 0.00 O ATOM 122 CB ARG A 217 9.832 -5.472 1.323 1.00 0.00 C ATOM 123 CG ARG A 217 9.358 -6.507 2.330 1.00 0.00 C ATOM 124 CD ARG A 217 8.164 -7.289 1.804 1.00 0.00 C ATOM 125 NE ARG A 217 8.573 -8.414 0.965 1.00 0.00 N ATOM 126 CZ ARG A 217 8.987 -9.585 1.445 1.00 0.00 C ATOM 127 NH1 ARG A 217 9.053 -9.788 2.755 1.00 0.00 N ATOM 128 NH2 ARG A 217 9.338 -10.554 0.612 1.00 0.00 N ATOM 0 H ARG A 217 9.997 -3.836 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 217 7.847 -4.669 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 217 9.973 -5.956 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.805 -5.094 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.173 -7.194 2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 217 9.088 -6.012 3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.574 -7.658 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.519 -6.624 1.229 1.00 0.00 H new ATOM 0 HE ARG A 217 8.539 -8.295 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 217 8.786 -9.045 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 217 9.371 -10.687 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 217 9.291 -10.402 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 217 9.655 -11.451 0.978 1.00 0.00 H new ATOM 142 N VAL A 218 8.098 -3.307 3.226 1.00 0.00 N ATOM 143 CA VAL A 218 8.148 -2.401 4.366 1.00 0.00 C ATOM 144 C VAL A 218 7.418 -2.981 5.572 1.00 0.00 C ATOM 145 O VAL A 218 6.927 -4.109 5.534 1.00 0.00 O ATOM 146 CB VAL A 218 7.520 -1.037 4.017 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.127 -0.481 2.739 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.005 -1.158 3.890 1.00 0.00 C ATOM 0 H VAL A 218 7.285 -3.923 3.210 1.00 0.00 H new ATOM 0 HA VAL A 218 9.201 -2.267 4.615 1.00 0.00 H new ATOM 0 HB VAL A 218 7.737 -0.342 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.671 0.482 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.201 -0.352 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 218 7.945 -1.174 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.582 -0.184 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.762 -1.870 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.587 -1.506 4.835 1.00 0.00 H new ATOM 158 N LEU A 219 7.335 -2.185 6.631 1.00 0.00 N ATOM 159 CA LEU A 219 6.648 -2.596 7.845 1.00 0.00 C ATOM 160 C LEU A 219 5.567 -1.590 8.207 1.00 0.00 C ATOM 161 O LEU A 219 5.852 -0.414 8.419 1.00 0.00 O ATOM 162 CB LEU A 219 7.629 -2.728 9.010 1.00 0.00 C ATOM 163 CG LEU A 219 8.741 -3.761 8.825 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.509 -3.945 10.124 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.165 -5.089 8.352 1.00 0.00 C ATOM 0 H LEU A 219 7.737 -1.248 6.672 1.00 0.00 H new ATOM 0 HA LEU A 219 6.191 -3.568 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.088 -1.755 9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 219 7.066 -2.983 9.908 1.00 0.00 H new ATOM 0 HG LEU A 219 9.430 -3.397 8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.298 -4.683 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.952 -2.995 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.829 -4.289 10.903 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.972 -5.811 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.456 -5.462 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.654 -4.946 7.400 1.00 0.00 H new ATOM 177 N VAL A 220 4.330 -2.058 8.290 1.00 0.00 N ATOM 178 CA VAL A 220 3.218 -1.186 8.642 1.00 0.00 C ATOM 179 C VAL A 220 3.053 -1.134 10.157 1.00 0.00 C ATOM 180 O VAL A 220 2.687 -2.126 10.789 1.00 0.00 O ATOM 181 CB VAL A 220 1.885 -1.629 7.986 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.267 -0.482 7.202 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.086 -2.843 7.088 1.00 0.00 C ATOM 0 H VAL A 220 4.072 -3.030 8.120 1.00 0.00 H new ATOM 0 HA VAL A 220 3.457 -0.194 8.259 1.00 0.00 H new ATOM 0 HB VAL A 220 1.200 -1.914 8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.332 -0.813 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.069 0.353 7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.956 -0.163 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.133 -3.128 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.796 -2.598 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.473 -3.673 7.679 1.00 0.00 H new ATOM 193 N GLY A 221 3.344 0.028 10.734 1.00 0.00 N ATOM 194 CA GLY A 221 3.242 0.190 12.171 1.00 0.00 C ATOM 195 C GLY A 221 4.514 -0.217 12.895 1.00 0.00 C ATOM 196 O GLY A 221 4.632 -0.026 14.106 1.00 0.00 O ATOM 0 H GLY A 221 3.649 0.861 10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 221 3.015 1.231 12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.410 -0.408 12.542 1.00 0.00 H new ATOM 200 N GLY A 222 5.469 -0.779 12.155 1.00 0.00 N ATOM 201 CA GLY A 222 6.723 -1.203 12.754 1.00 0.00 C ATOM 202 C GLY A 222 6.688 -2.643 13.230 1.00 0.00 C ATOM 203 O GLY A 222 7.724 -3.303 13.305 1.00 0.00 O ATOM 0 H GLY A 222 5.396 -0.948 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.526 -1.085 12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.957 -0.552 13.596 1.00 0.00 H new ATOM 207 N THR A 223 5.497 -3.128 13.556 1.00 0.00 N ATOM 208 CA THR A 223 5.332 -4.496 14.030 1.00 0.00 C ATOM 209 C THR A 223 4.840 -5.405 12.910 1.00 0.00 C ATOM 210 O THR A 223 5.098 -6.608 12.916 1.00 0.00 O ATOM 211 CB THR A 223 4.348 -4.531 15.199 1.00 0.00 C ATOM 212 OG1 THR A 223 3.143 -3.865 14.862 1.00 0.00 O ATOM 213 CG2 THR A 223 4.894 -3.889 16.456 1.00 0.00 C ATOM 0 H THR A 223 4.630 -2.594 13.501 1.00 0.00 H new ATOM 0 HA THR A 223 6.303 -4.860 14.366 1.00 0.00 H new ATOM 0 HB THR A 223 4.170 -5.588 15.397 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.526 -3.900 15.623 1.00 0.00 H new ATOM 0 HG21 THR A 223 4.147 -3.947 17.248 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.797 -4.413 16.770 1.00 0.00 H new ATOM 0 HG23 THR A 223 5.132 -2.844 16.257 1.00 0.00 H new ATOM 221 N LYS A 224 4.127 -4.823 11.952 1.00 0.00 N ATOM 222 CA LYS A 224 3.598 -5.583 10.827 1.00 0.00 C ATOM 223 C LYS A 224 4.483 -5.411 9.597 1.00 0.00 C ATOM 224 O LYS A 224 5.079 -4.354 9.396 1.00 0.00 O ATOM 225 CB LYS A 224 2.168 -5.135 10.510 1.00 0.00 C ATOM 226 CG LYS A 224 1.330 -4.826 11.744 1.00 0.00 C ATOM 227 CD LYS A 224 0.736 -6.088 12.347 1.00 0.00 C ATOM 228 CE LYS A 224 1.775 -6.874 13.129 1.00 0.00 C ATOM 229 NZ LYS A 224 1.194 -7.507 14.345 1.00 0.00 N ATOM 0 H LYS A 224 3.903 -3.828 11.932 1.00 0.00 H new ATOM 0 HA LYS A 224 3.587 -6.638 11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.207 -4.248 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.673 -5.916 9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.948 -4.323 12.488 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.528 -4.137 11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.092 -5.823 13.004 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.326 -6.713 11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 224 2.205 -7.645 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.589 -6.210 13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.935 -8.033 14.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.807 -6.770 14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.434 -8.160 14.067 1.00 0.00 H new ATOM 243 N ALA A 225 4.567 -6.455 8.777 1.00 0.00 N ATOM 244 CA ALA A 225 5.382 -6.411 7.568 1.00 0.00 C ATOM 245 C ALA A 225 4.531 -6.626 6.325 1.00 0.00 C ATOM 246 O ALA A 225 3.558 -7.378 6.352 1.00 0.00 O ATOM 247 CB ALA A 225 6.485 -7.453 7.632 1.00 0.00 C ATOM 0 H ALA A 225 4.082 -7.339 8.928 1.00 0.00 H new ATOM 0 HA ALA A 225 5.834 -5.421 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 225 7.083 -7.406 6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 225 7.121 -7.257 8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 225 6.043 -8.445 7.725 1.00 0.00 H new ATOM 253 N GLY A 226 4.906 -5.964 5.238 1.00 0.00 N ATOM 254 CA GLY A 226 4.164 -6.100 4.000 1.00 0.00 C ATOM 255 C GLY A 226 4.802 -5.347 2.850 1.00 0.00 C ATOM 256 O GLY A 226 5.948 -4.907 2.944 1.00 0.00 O ATOM 0 H GLY A 226 5.709 -5.337 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.089 -7.156 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.148 -5.735 4.148 1.00 0.00 H new ATOM 260 N VAL A 227 4.056 -5.201 1.762 1.00 0.00 N ATOM 261 CA VAL A 227 4.545 -4.497 0.584 1.00 0.00 C ATOM 262 C VAL A 227 3.641 -3.319 0.237 1.00 0.00 C ATOM 263 O VAL A 227 2.419 -3.454 0.189 1.00 0.00 O ATOM 264 CB VAL A 227 4.633 -5.442 -0.634 1.00 0.00 C ATOM 265 CG1 VAL A 227 4.990 -4.671 -1.896 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.642 -6.551 -0.376 1.00 0.00 C ATOM 0 H VAL A 227 3.106 -5.562 1.671 1.00 0.00 H new ATOM 0 HA VAL A 227 5.543 -4.128 0.822 1.00 0.00 H new ATOM 0 HB VAL A 227 3.654 -5.896 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.046 -5.359 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.226 -3.919 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 227 5.955 -4.182 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.691 -7.208 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.624 -6.114 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.335 -7.127 0.497 1.00 0.00 H new ATOM 276 N VAL A 228 4.248 -2.164 -0.016 1.00 0.00 N ATOM 277 CA VAL A 228 3.491 -0.970 -0.369 1.00 0.00 C ATOM 278 C VAL A 228 2.678 -1.209 -1.635 1.00 0.00 C ATOM 279 O VAL A 228 3.186 -1.749 -2.617 1.00 0.00 O ATOM 280 CB VAL A 228 4.416 0.242 -0.576 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.602 1.507 -0.794 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.357 0.398 0.609 1.00 0.00 C ATOM 0 H VAL A 228 5.259 -2.030 0.017 1.00 0.00 H new ATOM 0 HA VAL A 228 2.818 -0.754 0.461 1.00 0.00 H new ATOM 0 HB VAL A 228 5.017 0.071 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.275 2.352 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 228 2.974 1.388 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 228 2.972 1.689 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.005 1.259 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.775 0.547 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 228 5.966 -0.500 0.711 1.00 0.00 H new ATOM 292 N ARG A 229 1.408 -0.821 -1.603 1.00 0.00 N ATOM 293 CA ARG A 229 0.525 -1.012 -2.745 1.00 0.00 C ATOM 294 C ARG A 229 -0.041 0.316 -3.242 1.00 0.00 C ATOM 295 O ARG A 229 -0.117 0.554 -4.448 1.00 0.00 O ATOM 296 CB ARG A 229 -0.609 -1.966 -2.368 1.00 0.00 C ATOM 297 CG ARG A 229 -0.127 -3.282 -1.775 1.00 0.00 C ATOM 298 CD ARG A 229 0.986 -3.900 -2.608 1.00 0.00 C ATOM 299 NE ARG A 229 0.831 -5.344 -2.750 1.00 0.00 N ATOM 300 CZ ARG A 229 1.458 -6.071 -3.673 1.00 0.00 C ATOM 301 NH1 ARG A 229 2.283 -5.492 -4.536 1.00 0.00 N ATOM 302 NH2 ARG A 229 1.260 -7.380 -3.732 1.00 0.00 N ATOM 0 H ARG A 229 0.968 -0.373 -0.799 1.00 0.00 H new ATOM 0 HA ARG A 229 1.108 -1.446 -3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.264 -1.472 -1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -1.207 -2.174 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.229 -3.114 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.962 -3.979 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 229 0.997 -3.439 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.948 -3.683 -2.144 1.00 0.00 H new ATOM 0 HE ARG A 229 0.205 -5.825 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 229 2.440 -4.485 -4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 229 2.760 -6.054 -5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 229 0.628 -7.830 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 229 1.740 -7.937 -4.439 1.00 0.00 H new ATOM 316 N PHE A 230 -0.434 1.176 -2.311 1.00 0.00 N ATOM 317 CA PHE A 230 -0.993 2.478 -2.664 1.00 0.00 C ATOM 318 C PHE A 230 -0.684 3.511 -1.586 1.00 0.00 C ATOM 319 O PHE A 230 -0.874 3.255 -0.400 1.00 0.00 O ATOM 320 CB PHE A 230 -2.506 2.370 -2.864 1.00 0.00 C ATOM 321 CG PHE A 230 -3.090 3.510 -3.651 1.00 0.00 C ATOM 322 CD1 PHE A 230 -3.001 3.532 -5.033 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.726 4.558 -3.006 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.537 4.578 -5.759 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.264 5.609 -3.727 1.00 0.00 C ATOM 326 CZ PHE A 230 -4.169 5.618 -5.105 1.00 0.00 C ATOM 0 H PHE A 230 -0.377 0.998 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.533 2.803 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.731 1.434 -3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.991 2.326 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.507 2.722 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.803 4.555 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.462 4.583 -6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.757 6.421 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.588 6.437 -5.670 1.00 0.00 H new ATOM 336 N LEU A 231 -0.210 4.680 -2.003 1.00 0.00 N ATOM 337 CA LEU A 231 0.119 5.745 -1.062 1.00 0.00 C ATOM 338 C LEU A 231 -0.736 6.983 -1.313 1.00 0.00 C ATOM 339 O LEU A 231 -0.878 7.433 -2.451 1.00 0.00 O ATOM 340 CB LEU A 231 1.603 6.106 -1.161 1.00 0.00 C ATOM 341 CG LEU A 231 2.560 4.910 -1.176 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.224 4.770 -2.538 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.612 5.052 -0.084 1.00 0.00 C ATOM 0 H LEU A 231 -0.045 4.914 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.092 5.380 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.760 6.689 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.862 6.749 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 231 1.980 4.008 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.900 3.915 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.461 4.620 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.788 5.675 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.282 4.193 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.185 5.965 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.123 5.100 0.889 1.00 0.00 H new ATOM 355 N GLY A 232 -1.302 7.529 -0.242 1.00 0.00 N ATOM 356 CA GLY A 232 -2.138 8.710 -0.361 1.00 0.00 C ATOM 357 C GLY A 232 -3.064 8.883 0.827 1.00 0.00 C ATOM 358 O GLY A 232 -2.975 8.141 1.806 1.00 0.00 O ATOM 0 H GLY A 232 -1.197 7.174 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.505 9.592 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.730 8.642 -1.273 1.00 0.00 H new ATOM 362 N GLU A 233 -3.954 9.865 0.744 1.00 0.00 N ATOM 363 CA GLU A 233 -4.900 10.133 1.821 1.00 0.00 C ATOM 364 C GLU A 233 -6.072 9.158 1.768 1.00 0.00 C ATOM 365 O GLU A 233 -6.358 8.575 0.723 1.00 0.00 O ATOM 366 CB GLU A 233 -5.414 11.571 1.732 1.00 0.00 C ATOM 367 CG GLU A 233 -4.311 12.602 1.551 1.00 0.00 C ATOM 368 CD GLU A 233 -4.612 13.591 0.442 1.00 0.00 C ATOM 369 OE1 GLU A 233 -5.803 13.904 0.232 1.00 0.00 O ATOM 370 OE2 GLU A 233 -3.657 14.052 -0.219 1.00 0.00 O ATOM 0 H GLU A 233 -4.041 10.489 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.380 9.999 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.112 11.648 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.973 11.805 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.168 13.143 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.374 12.091 1.332 1.00 0.00 H new ATOM 377 N THR A 234 -6.743 8.986 2.900 1.00 0.00 N ATOM 378 CA THR A 234 -7.884 8.081 2.982 1.00 0.00 C ATOM 379 C THR A 234 -9.195 8.861 3.018 1.00 0.00 C ATOM 380 O THR A 234 -9.198 10.084 3.146 1.00 0.00 O ATOM 381 CB THR A 234 -7.771 7.195 4.222 1.00 0.00 C ATOM 382 OG1 THR A 234 -8.057 7.936 5.394 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.400 6.575 4.393 1.00 0.00 C ATOM 0 H THR A 234 -6.517 9.461 3.774 1.00 0.00 H new ATOM 0 HA THR A 234 -7.881 7.451 2.093 1.00 0.00 H new ATOM 0 HB THR A 234 -8.497 6.395 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 234 -8.453 7.344 6.067 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.389 5.959 5.292 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.170 5.956 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.653 7.363 4.484 1.00 0.00 H new ATOM 391 N ASP A 235 -10.306 8.142 2.905 1.00 0.00 N ATOM 392 CA ASP A 235 -11.625 8.766 2.926 1.00 0.00 C ATOM 393 C ASP A 235 -12.234 8.738 4.328 1.00 0.00 C ATOM 394 O ASP A 235 -13.358 9.196 4.530 1.00 0.00 O ATOM 395 CB ASP A 235 -12.558 8.060 1.940 1.00 0.00 C ATOM 396 CG ASP A 235 -13.868 8.800 1.755 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.880 10.038 1.921 1.00 0.00 O ATOM 398 OD2 ASP A 235 -14.884 8.142 1.443 1.00 0.00 O ATOM 0 H ASP A 235 -10.320 7.128 2.798 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.505 9.808 2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.058 7.964 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -12.761 7.050 2.296 1.00 0.00 H new ATOM 403 N PHE A 236 -11.491 8.200 5.293 1.00 0.00 N ATOM 404 CA PHE A 236 -11.975 8.124 6.669 1.00 0.00 C ATOM 405 C PHE A 236 -11.007 8.799 7.644 1.00 0.00 C ATOM 406 O PHE A 236 -11.380 9.120 8.774 1.00 0.00 O ATOM 407 CB PHE A 236 -12.198 6.660 7.072 1.00 0.00 C ATOM 408 CG PHE A 236 -10.943 5.935 7.481 1.00 0.00 C ATOM 409 CD1 PHE A 236 -9.890 5.782 6.592 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.821 5.404 8.754 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.739 5.116 6.968 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.672 4.736 9.135 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.630 4.592 8.241 1.00 0.00 C ATOM 0 H PHE A 236 -10.558 7.813 5.149 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.924 8.658 6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -12.909 6.626 7.897 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.654 6.130 6.236 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -9.970 6.188 5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.633 5.513 9.458 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -7.925 5.005 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.590 4.327 10.131 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.732 4.071 8.537 1.00 0.00 H new ATOM 423 N ALA A 237 -9.768 9.015 7.206 1.00 0.00 N ATOM 424 CA ALA A 237 -8.763 9.651 8.049 1.00 0.00 C ATOM 425 C ALA A 237 -8.230 10.926 7.404 1.00 0.00 C ATOM 426 O ALA A 237 -8.108 11.010 6.181 1.00 0.00 O ATOM 427 CB ALA A 237 -7.623 8.683 8.336 1.00 0.00 C ATOM 0 H ALA A 237 -9.439 8.759 6.275 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.237 9.925 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.880 9.172 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -8.013 7.804 8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.159 8.379 7.398 1.00 0.00 H new ATOM 433 N LYS A 238 -7.912 11.916 8.233 1.00 0.00 N ATOM 434 CA LYS A 238 -7.389 13.185 7.739 1.00 0.00 C ATOM 435 C LYS A 238 -5.864 13.170 7.711 1.00 0.00 C ATOM 436 O LYS A 238 -5.216 12.978 8.738 1.00 0.00 O ATOM 437 CB LYS A 238 -7.883 14.338 8.617 1.00 0.00 C ATOM 438 CG LYS A 238 -7.667 14.108 10.103 1.00 0.00 C ATOM 439 CD LYS A 238 -7.275 15.392 10.818 1.00 0.00 C ATOM 440 CE LYS A 238 -8.495 16.133 11.341 1.00 0.00 C ATOM 441 NZ LYS A 238 -8.268 16.682 12.707 1.00 0.00 N ATOM 0 H LYS A 238 -8.007 11.864 9.247 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.752 13.329 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.371 15.254 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -8.946 14.494 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -8.579 13.708 10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -6.888 13.359 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -6.607 15.159 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -6.722 16.036 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -8.745 16.946 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -9.350 15.457 11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -9.123 17.180 13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -8.054 15.904 13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -7.468 17.346 12.686 1.00 0.00 H new ATOM 455 N GLY A 239 -5.298 13.376 6.526 1.00 0.00 N ATOM 456 CA GLY A 239 -3.853 13.382 6.385 1.00 0.00 C ATOM 457 C GLY A 239 -3.366 12.413 5.324 1.00 0.00 C ATOM 458 O GLY A 239 -4.159 11.894 4.537 1.00 0.00 O ATOM 0 H GLY A 239 -5.814 13.539 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.521 14.389 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.397 13.127 7.342 1.00 0.00 H new ATOM 462 N GLU A 240 -2.060 12.170 5.301 1.00 0.00 N ATOM 463 CA GLU A 240 -1.467 11.257 4.330 1.00 0.00 C ATOM 464 C GLU A 240 -1.330 9.854 4.913 1.00 0.00 C ATOM 465 O GLU A 240 -0.898 9.684 6.053 1.00 0.00 O ATOM 466 CB GLU A 240 -0.098 11.772 3.883 1.00 0.00 C ATOM 467 CG GLU A 240 0.928 11.828 5.002 1.00 0.00 C ATOM 468 CD GLU A 240 2.219 12.497 4.577 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.872 11.988 3.643 1.00 0.00 O ATOM 470 OE2 GLU A 240 2.579 13.532 5.179 1.00 0.00 O ATOM 0 H GLU A 240 -1.391 12.593 5.944 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.129 11.208 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.280 11.130 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.215 12.769 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.506 12.367 5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 240 1.143 10.815 5.343 1.00 0.00 H new ATOM 477 N TRP A 241 -1.703 8.852 4.124 1.00 0.00 N ATOM 478 CA TRP A 241 -1.624 7.463 4.562 1.00 0.00 C ATOM 479 C TRP A 241 -0.996 6.586 3.484 1.00 0.00 C ATOM 480 O TRP A 241 -0.814 7.018 2.346 1.00 0.00 O ATOM 481 CB TRP A 241 -3.017 6.940 4.916 1.00 0.00 C ATOM 482 CG TRP A 241 -3.603 7.597 6.126 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.053 8.882 6.225 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.800 7.002 7.414 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.517 9.122 7.496 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.374 7.984 8.244 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.549 5.734 7.945 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.699 7.736 9.576 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.872 5.489 9.266 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.441 6.485 10.069 1.00 0.00 C ATOM 0 H TRP A 241 -2.063 8.976 3.178 1.00 0.00 H new ATOM 0 HA TRP A 241 -0.992 7.423 5.449 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.683 7.096 4.067 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -2.962 5.865 5.085 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.045 9.604 5.422 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -4.905 10.005 7.828 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.110 4.959 7.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.138 8.503 10.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.682 4.512 9.686 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.681 6.262 11.098 1.00 0.00 H new ATOM 501 N CYS A 242 -0.665 5.351 3.849 1.00 0.00 N ATOM 502 CA CYS A 242 -0.058 4.415 2.911 1.00 0.00 C ATOM 503 C CYS A 242 -0.677 3.028 3.044 1.00 0.00 C ATOM 504 O CYS A 242 -1.194 2.661 4.099 1.00 0.00 O ATOM 505 CB CYS A 242 1.455 4.341 3.139 1.00 0.00 C ATOM 506 SG CYS A 242 2.306 3.134 2.094 1.00 0.00 S ATOM 0 H CYS A 242 -0.807 4.976 4.787 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.248 4.778 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.886 5.326 2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.642 4.095 4.184 1.00 0.00 H new ATOM 0 HG CYS A 242 3.578 3.150 2.361 1.00 0.00 H new ATOM 512 N GLY A 243 -0.619 2.262 1.961 1.00 0.00 N ATOM 513 CA GLY A 243 -1.171 0.922 1.958 1.00 0.00 C ATOM 514 C GLY A 243 -0.100 -0.136 1.794 1.00 0.00 C ATOM 515 O GLY A 243 0.706 -0.073 0.865 1.00 0.00 O ATOM 0 H GLY A 243 -0.196 2.549 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.710 0.750 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.896 0.831 1.149 1.00 0.00 H new ATOM 519 N VAL A 244 -0.084 -1.104 2.699 1.00 0.00 N ATOM 520 CA VAL A 244 0.903 -2.176 2.650 1.00 0.00 C ATOM 521 C VAL A 244 0.234 -3.542 2.743 1.00 0.00 C ATOM 522 O VAL A 244 -0.612 -3.773 3.608 1.00 0.00 O ATOM 523 CB VAL A 244 1.931 -2.045 3.796 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.159 -2.896 3.520 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.323 -0.589 4.012 1.00 0.00 C ATOM 0 H VAL A 244 -0.742 -1.170 3.476 1.00 0.00 H new ATOM 0 HA VAL A 244 1.418 -2.089 1.694 1.00 0.00 H new ATOM 0 HB VAL A 244 1.463 -2.409 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.869 -2.788 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.864 -3.942 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.626 -2.570 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.047 -0.524 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.765 -0.192 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.437 -0.008 4.269 1.00 0.00 H new ATOM 535 N GLU A 245 0.627 -4.451 1.856 1.00 0.00 N ATOM 536 CA GLU A 245 0.074 -5.798 1.850 1.00 0.00 C ATOM 537 C GLU A 245 0.822 -6.671 2.847 1.00 0.00 C ATOM 538 O GLU A 245 1.996 -6.984 2.651 1.00 0.00 O ATOM 539 CB GLU A 245 0.160 -6.405 0.448 1.00 0.00 C ATOM 540 CG GLU A 245 -0.397 -7.816 0.362 1.00 0.00 C ATOM 541 CD GLU A 245 -0.749 -8.219 -1.056 1.00 0.00 C ATOM 542 OE1 GLU A 245 -1.490 -7.465 -1.722 1.00 0.00 O ATOM 543 OE2 GLU A 245 -0.283 -9.288 -1.505 1.00 0.00 O ATOM 0 H GLU A 245 1.326 -4.278 1.133 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.975 -5.747 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.382 -5.766 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.202 -6.414 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.335 -8.517 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.286 -7.890 0.988 1.00 0.00 H new ATOM 550 N LEU A 246 0.144 -7.045 3.923 1.00 0.00 N ATOM 551 CA LEU A 246 0.756 -7.861 4.962 1.00 0.00 C ATOM 552 C LEU A 246 1.059 -9.270 4.461 1.00 0.00 C ATOM 553 O LEU A 246 0.320 -9.830 3.654 1.00 0.00 O ATOM 554 CB LEU A 246 -0.154 -7.927 6.188 1.00 0.00 C ATOM 555 CG LEU A 246 -0.485 -6.571 6.814 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.601 -6.713 7.839 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.756 -5.963 7.451 1.00 0.00 C ATOM 0 H LEU A 246 -0.829 -6.797 4.099 1.00 0.00 H new ATOM 0 HA LEU A 246 1.700 -7.392 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.085 -8.418 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.321 -8.554 6.943 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.830 -5.901 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.822 -5.738 8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.494 -7.105 7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.287 -7.398 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.503 -4.999 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.130 -6.630 8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.524 -5.824 6.691 1.00 0.00 H new ATOM 569 N ASP A 247 2.162 -9.829 4.948 1.00 0.00 N ATOM 570 CA ASP A 247 2.586 -11.169 4.560 1.00 0.00 C ATOM 571 C ASP A 247 1.649 -12.232 5.131 1.00 0.00 C ATOM 572 O ASP A 247 1.488 -13.305 4.552 1.00 0.00 O ATOM 573 CB ASP A 247 4.018 -11.422 5.037 1.00 0.00 C ATOM 574 CG ASP A 247 5.052 -10.800 4.120 1.00 0.00 C ATOM 575 OD1 ASP A 247 5.347 -9.598 4.288 1.00 0.00 O ATOM 576 OD2 ASP A 247 5.565 -11.515 3.234 1.00 0.00 O ATOM 0 H ASP A 247 2.782 -9.371 5.616 1.00 0.00 H new ATOM 0 HA ASP A 247 2.550 -11.235 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.139 -11.019 6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.192 -12.496 5.101 1.00 0.00 H new ATOM 581 N GLU A 248 1.035 -11.925 6.270 1.00 0.00 N ATOM 582 CA GLU A 248 0.116 -12.856 6.917 1.00 0.00 C ATOM 583 C GLU A 248 -1.172 -12.147 7.332 1.00 0.00 C ATOM 584 O GLU A 248 -1.261 -10.920 7.266 1.00 0.00 O ATOM 585 CB GLU A 248 0.780 -13.493 8.141 1.00 0.00 C ATOM 586 CG GLU A 248 1.366 -14.868 7.867 1.00 0.00 C ATOM 587 CD GLU A 248 2.637 -15.127 8.651 1.00 0.00 C ATOM 588 OE1 GLU A 248 3.724 -14.754 8.161 1.00 0.00 O ATOM 589 OE2 GLU A 248 2.545 -15.703 9.756 1.00 0.00 O ATOM 0 H GLU A 248 1.157 -11.041 6.763 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.135 -13.639 6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.571 -12.834 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.045 -13.573 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 248 0.628 -15.630 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 248 1.575 -14.964 6.802 1.00 0.00 H new ATOM 596 N PRO A 249 -2.190 -12.911 7.766 1.00 0.00 N ATOM 597 CA PRO A 249 -3.475 -12.347 8.192 1.00 0.00 C ATOM 598 C PRO A 249 -3.335 -11.508 9.459 1.00 0.00 C ATOM 599 O PRO A 249 -3.823 -11.884 10.525 1.00 0.00 O ATOM 600 CB PRO A 249 -4.358 -13.578 8.455 1.00 0.00 C ATOM 601 CG PRO A 249 -3.628 -14.740 7.866 1.00 0.00 C ATOM 602 CD PRO A 249 -2.170 -14.376 7.878 1.00 0.00 C ATOM 0 HA PRO A 249 -3.891 -11.676 7.441 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.521 -13.720 9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -5.339 -13.460 7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.807 -15.645 8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.970 -14.939 6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.681 -14.703 8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -1.633 -14.836 7.049 1.00 0.00 H new ATOM 610 N LEU A 250 -2.662 -10.370 9.335 1.00 0.00 N ATOM 611 CA LEU A 250 -2.452 -9.477 10.469 1.00 0.00 C ATOM 612 C LEU A 250 -2.914 -8.058 10.148 1.00 0.00 C ATOM 613 O LEU A 250 -2.387 -7.086 10.688 1.00 0.00 O ATOM 614 CB LEU A 250 -0.973 -9.465 10.866 1.00 0.00 C ATOM 615 CG LEU A 250 0.015 -9.486 9.694 1.00 0.00 C ATOM 616 CD1 LEU A 250 0.976 -8.310 9.779 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.782 -10.798 9.665 1.00 0.00 C ATOM 0 H LEU A 250 -2.252 -10.043 8.460 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.046 -9.849 11.303 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.781 -8.576 11.467 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.777 -10.328 11.502 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.553 -9.398 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.668 -8.344 8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.413 -7.377 9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.536 -8.365 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.478 -10.794 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.336 -10.916 10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.082 -11.626 9.552 1.00 0.00 H new ATOM 629 N GLY A 251 -3.902 -7.946 9.265 1.00 0.00 N ATOM 630 CA GLY A 251 -4.415 -6.640 8.891 1.00 0.00 C ATOM 631 C GLY A 251 -5.831 -6.410 9.380 1.00 0.00 C ATOM 632 O GLY A 251 -6.319 -7.130 10.250 1.00 0.00 O ATOM 0 H GLY A 251 -4.356 -8.734 8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.763 -5.867 9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.388 -6.540 7.806 1.00 0.00 H new ATOM 636 N LYS A 252 -6.491 -5.401 8.822 1.00 0.00 N ATOM 637 CA LYS A 252 -7.859 -5.075 9.210 1.00 0.00 C ATOM 638 C LYS A 252 -8.813 -5.208 8.025 1.00 0.00 C ATOM 639 O LYS A 252 -9.948 -5.659 8.178 1.00 0.00 O ATOM 640 CB LYS A 252 -7.929 -3.655 9.776 1.00 0.00 C ATOM 641 CG LYS A 252 -6.790 -3.323 10.727 1.00 0.00 C ATOM 642 CD LYS A 252 -6.992 -3.974 12.086 1.00 0.00 C ATOM 643 CE LYS A 252 -5.665 -4.296 12.751 1.00 0.00 C ATOM 644 NZ LYS A 252 -5.846 -4.770 14.152 1.00 0.00 N ATOM 0 H LYS A 252 -6.101 -4.795 8.100 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.165 -5.783 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.922 -2.943 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.877 -3.527 10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.846 -3.659 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.718 -2.242 10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.570 -3.308 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.573 -4.889 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -5.146 -5.061 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.032 -3.409 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -4.917 -4.979 14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.319 -4.031 14.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -6.429 -5.631 14.154 1.00 0.00 H new ATOM 658 N ASN A 253 -8.347 -4.810 6.845 1.00 0.00 N ATOM 659 CA ASN A 253 -9.163 -4.884 5.638 1.00 0.00 C ATOM 660 C ASN A 253 -8.455 -5.679 4.544 1.00 0.00 C ATOM 661 O ASN A 253 -7.276 -6.010 4.668 1.00 0.00 O ATOM 662 CB ASN A 253 -9.492 -3.477 5.132 1.00 0.00 C ATOM 663 CG ASN A 253 -8.257 -2.717 4.685 1.00 0.00 C ATOM 664 OD1 ASN A 253 -8.038 -2.513 3.491 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.444 -2.294 5.646 1.00 0.00 N ATOM 0 H ASN A 253 -7.410 -4.434 6.699 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.090 -5.399 5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -10.192 -3.548 4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.993 -2.918 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.598 -1.777 5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.666 -2.486 6.623 1.00 0.00 H new ATOM 672 N ASP A 254 -9.185 -5.981 3.477 1.00 0.00 N ATOM 673 CA ASP A 254 -8.631 -6.738 2.361 1.00 0.00 C ATOM 674 C ASP A 254 -8.178 -5.809 1.236 1.00 0.00 C ATOM 675 O ASP A 254 -8.129 -6.206 0.072 1.00 0.00 O ATOM 676 CB ASP A 254 -9.663 -7.739 1.834 1.00 0.00 C ATOM 677 CG ASP A 254 -10.862 -7.060 1.202 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.408 -6.121 1.819 1.00 0.00 O ATOM 679 OD2 ASP A 254 -11.256 -7.468 0.089 1.00 0.00 O ATOM 0 H ASP A 254 -10.162 -5.713 3.361 1.00 0.00 H new ATOM 0 HA ASP A 254 -7.759 -7.283 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.190 -8.391 1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.000 -8.374 2.654 1.00 0.00 H new ATOM 684 N GLY A 255 -7.844 -4.571 1.591 1.00 0.00 N ATOM 685 CA GLY A 255 -7.397 -3.609 0.599 1.00 0.00 C ATOM 686 C GLY A 255 -8.433 -2.539 0.305 1.00 0.00 C ATOM 687 O GLY A 255 -8.385 -1.891 -0.743 1.00 0.00 O ATOM 0 H GLY A 255 -7.875 -4.217 2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.480 -3.134 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.152 -4.134 -0.324 1.00 0.00 H new ATOM 691 N ALA A 256 -9.371 -2.350 1.228 1.00 0.00 N ATOM 692 CA ALA A 256 -10.417 -1.349 1.057 1.00 0.00 C ATOM 693 C ALA A 256 -10.672 -0.592 2.353 1.00 0.00 C ATOM 694 O ALA A 256 -10.385 -1.089 3.442 1.00 0.00 O ATOM 695 CB ALA A 256 -11.698 -2.005 0.562 1.00 0.00 C ATOM 0 H ALA A 256 -9.428 -2.876 2.100 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.079 -0.630 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.471 -1.246 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.511 -2.492 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.031 -2.747 1.288 1.00 0.00 H new ATOM 701 N VAL A 257 -11.214 0.616 2.230 1.00 0.00 N ATOM 702 CA VAL A 257 -11.508 1.446 3.391 1.00 0.00 C ATOM 703 C VAL A 257 -12.838 2.175 3.225 1.00 0.00 C ATOM 704 O VAL A 257 -12.997 2.999 2.324 1.00 0.00 O ATOM 705 CB VAL A 257 -10.392 2.483 3.636 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.669 3.288 4.897 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.037 1.796 3.718 1.00 0.00 C ATOM 0 H VAL A 257 -11.458 1.041 1.336 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.569 0.778 4.250 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.375 3.175 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.869 4.013 5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.619 3.813 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.718 2.616 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.261 2.542 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.041 1.079 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.836 1.274 2.782 1.00 0.00 H new ATOM 717 N ALA A 258 -13.790 1.863 4.098 1.00 0.00 N ATOM 718 CA ALA A 258 -15.107 2.488 4.050 1.00 0.00 C ATOM 719 C ALA A 258 -15.787 2.248 2.707 1.00 0.00 C ATOM 720 O ALA A 258 -16.654 3.018 2.293 1.00 0.00 O ATOM 721 CB ALA A 258 -14.992 3.980 4.325 1.00 0.00 C ATOM 0 H ALA A 258 -13.674 1.181 4.848 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.724 2.031 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -15.982 4.434 4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.560 4.136 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.352 4.440 3.573 1.00 0.00 H new ATOM 727 N GLY A 259 -15.391 1.176 2.026 1.00 0.00 N ATOM 728 CA GLY A 259 -15.977 0.858 0.738 1.00 0.00 C ATOM 729 C GLY A 259 -15.104 1.286 -0.429 1.00 0.00 C ATOM 730 O GLY A 259 -15.416 0.990 -1.583 1.00 0.00 O ATOM 0 H GLY A 259 -14.675 0.523 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.153 -0.216 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -16.949 1.345 0.656 1.00 0.00 H new ATOM 734 N THR A 260 -14.010 1.983 -0.133 1.00 0.00 N ATOM 735 CA THR A 260 -13.098 2.446 -1.172 1.00 0.00 C ATOM 736 C THR A 260 -11.867 1.548 -1.256 1.00 0.00 C ATOM 737 O THR A 260 -11.074 1.478 -0.317 1.00 0.00 O ATOM 738 CB THR A 260 -12.670 3.888 -0.900 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.777 4.669 -0.484 1.00 0.00 O ATOM 740 CG2 THR A 260 -12.057 4.569 -2.104 1.00 0.00 C ATOM 0 H THR A 260 -13.735 2.238 0.815 1.00 0.00 H new ATOM 0 HA THR A 260 -13.624 2.403 -2.126 1.00 0.00 H new ATOM 0 HB THR A 260 -11.915 3.821 -0.117 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.483 5.588 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.776 5.589 -1.841 1.00 0.00 H new ATOM 0 HG22 THR A 260 -11.171 4.019 -2.421 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.782 4.591 -2.918 1.00 0.00 H new ATOM 748 N ARG A 261 -11.715 0.865 -2.386 1.00 0.00 N ATOM 749 CA ARG A 261 -10.579 -0.026 -2.590 1.00 0.00 C ATOM 750 C ARG A 261 -9.408 0.724 -3.216 1.00 0.00 C ATOM 751 O ARG A 261 -9.492 1.189 -4.352 1.00 0.00 O ATOM 752 CB ARG A 261 -10.981 -1.205 -3.480 1.00 0.00 C ATOM 753 CG ARG A 261 -9.847 -2.184 -3.743 1.00 0.00 C ATOM 754 CD ARG A 261 -10.223 -3.199 -4.811 1.00 0.00 C ATOM 755 NE ARG A 261 -10.269 -2.601 -6.143 1.00 0.00 N ATOM 756 CZ ARG A 261 -10.900 -3.148 -7.179 1.00 0.00 C ATOM 757 NH1 ARG A 261 -11.541 -4.302 -7.041 1.00 0.00 N ATOM 758 NH2 ARG A 261 -10.892 -2.538 -8.356 1.00 0.00 N ATOM 0 H ARG A 261 -12.363 0.911 -3.173 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.266 -0.406 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.808 -1.738 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.347 -0.822 -4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.958 -1.637 -4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.592 -2.704 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.501 -4.016 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -11.195 -3.631 -4.574 1.00 0.00 H new ATOM 0 HE ARG A 261 -9.789 -1.712 -6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -11.552 -4.774 -6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -12.023 -4.716 -7.839 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -10.402 -1.650 -8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -11.375 -2.957 -9.151 1.00 0.00 H new ATOM 772 N TYR A 262 -8.318 0.840 -2.465 1.00 0.00 N ATOM 773 CA TYR A 262 -7.130 1.536 -2.946 1.00 0.00 C ATOM 774 C TYR A 262 -6.209 0.582 -3.697 1.00 0.00 C ATOM 775 O TYR A 262 -5.639 0.936 -4.731 1.00 0.00 O ATOM 776 CB TYR A 262 -6.380 2.175 -1.776 1.00 0.00 C ATOM 777 CG TYR A 262 -7.145 3.297 -1.111 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.202 3.028 -0.250 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.811 4.626 -1.343 1.00 0.00 C ATOM 780 CE1 TYR A 262 -8.905 4.050 0.359 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.509 5.653 -0.738 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.554 5.360 0.111 1.00 0.00 C ATOM 783 OH TYR A 262 -9.251 6.381 0.715 1.00 0.00 O ATOM 0 H TYR A 262 -8.233 0.461 -1.522 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.450 2.319 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.158 1.408 -1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.425 2.559 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.479 2.003 -0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -5.992 4.860 -2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.724 3.824 1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.237 6.681 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.090 6.032 1.082 1.00 0.00 H new ATOM 793 N PHE A 263 -6.071 -0.630 -3.176 1.00 0.00 N ATOM 794 CA PHE A 263 -5.223 -1.641 -3.797 1.00 0.00 C ATOM 795 C PHE A 263 -5.823 -3.031 -3.619 1.00 0.00 C ATOM 796 O PHE A 263 -6.764 -3.218 -2.849 1.00 0.00 O ATOM 797 CB PHE A 263 -3.815 -1.596 -3.200 1.00 0.00 C ATOM 798 CG PHE A 263 -3.798 -1.485 -1.702 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.005 -0.262 -1.084 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.574 -2.602 -0.913 1.00 0.00 C ATOM 801 CE1 PHE A 263 -3.990 -0.157 0.293 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.557 -2.502 0.465 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.765 -1.277 1.069 1.00 0.00 C ATOM 0 H PHE A 263 -6.537 -0.938 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.160 -1.425 -4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.276 -2.496 -3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.277 -0.749 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.180 0.618 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.411 -3.562 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.154 0.801 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.381 -3.380 1.069 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.752 -1.195 2.146 1.00 0.00 H new ATOM 813 N GLN A 264 -5.272 -4.004 -4.337 1.00 0.00 N ATOM 814 CA GLN A 264 -5.756 -5.378 -4.257 1.00 0.00 C ATOM 815 C GLN A 264 -4.800 -6.245 -3.446 1.00 0.00 C ATOM 816 O GLN A 264 -3.598 -6.274 -3.708 1.00 0.00 O ATOM 817 CB GLN A 264 -5.931 -5.961 -5.659 1.00 0.00 C ATOM 818 CG GLN A 264 -6.698 -7.274 -5.680 1.00 0.00 C ATOM 819 CD GLN A 264 -8.186 -7.084 -5.462 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.880 -6.504 -6.297 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.686 -7.573 -4.333 1.00 0.00 N ATOM 0 H GLN A 264 -4.492 -3.867 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.723 -5.368 -3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.452 -5.235 -6.283 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.948 -6.117 -6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.535 -7.770 -6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.303 -7.934 -4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -8.075 -8.047 -3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.681 -7.475 -4.131 1.00 0.00 H new ATOM 830 N CYS A 265 -5.343 -6.951 -2.460 1.00 0.00 N ATOM 831 CA CYS A 265 -4.541 -7.820 -1.609 1.00 0.00 C ATOM 832 C CYS A 265 -5.389 -8.945 -1.027 1.00 0.00 C ATOM 833 O CYS A 265 -6.619 -8.867 -1.019 1.00 0.00 O ATOM 834 CB CYS A 265 -3.899 -7.012 -0.480 1.00 0.00 C ATOM 835 SG CYS A 265 -5.085 -6.124 0.558 1.00 0.00 S ATOM 0 H CYS A 265 -6.337 -6.938 -2.231 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.755 -8.262 -2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.315 -7.685 0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.202 -6.294 -0.912 1.00 0.00 H new ATOM 0 HG CYS A 265 -6.268 -6.198 0.025 1.00 0.00 H new ATOM 841 N GLN A 266 -4.727 -9.989 -0.544 1.00 0.00 N ATOM 842 CA GLN A 266 -5.421 -11.131 0.039 1.00 0.00 C ATOM 843 C GLN A 266 -6.248 -10.704 1.250 1.00 0.00 C ATOM 844 O GLN A 266 -6.067 -9.610 1.783 1.00 0.00 O ATOM 845 CB GLN A 266 -4.418 -12.211 0.450 1.00 0.00 C ATOM 846 CG GLN A 266 -4.000 -13.119 -0.697 1.00 0.00 C ATOM 847 CD GLN A 266 -5.184 -13.761 -1.393 1.00 0.00 C ATOM 848 OE1 GLN A 266 -5.856 -14.625 -0.831 1.00 0.00 O ATOM 849 NE2 GLN A 266 -5.446 -13.339 -2.624 1.00 0.00 N ATOM 0 H GLN A 266 -3.710 -10.069 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.094 -11.538 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.531 -11.733 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.854 -12.818 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -3.426 -12.542 -1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.340 -13.899 -0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -4.862 -12.620 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -6.231 -13.734 -3.142 1.00 0.00 H new ATOM 858 N PRO A 267 -7.173 -11.568 1.704 1.00 0.00 N ATOM 859 CA PRO A 267 -8.026 -11.274 2.859 1.00 0.00 C ATOM 860 C PRO A 267 -7.213 -11.066 4.133 1.00 0.00 C ATOM 861 O PRO A 267 -6.332 -11.864 4.454 1.00 0.00 O ATOM 862 CB PRO A 267 -8.913 -12.519 2.988 1.00 0.00 C ATOM 863 CG PRO A 267 -8.829 -13.199 1.664 1.00 0.00 C ATOM 864 CD PRO A 267 -7.460 -12.893 1.131 1.00 0.00 C ATOM 0 HA PRO A 267 -8.591 -10.352 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -8.562 -13.171 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.941 -12.247 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -8.977 -14.274 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -9.602 -12.834 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.728 -13.637 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -7.446 -12.874 0.041 1.00 0.00 H new ATOM 872 N LYS A 268 -7.511 -9.988 4.849 1.00 0.00 N ATOM 873 CA LYS A 268 -6.805 -9.673 6.089 1.00 0.00 C ATOM 874 C LYS A 268 -5.322 -9.411 5.831 1.00 0.00 C ATOM 875 O LYS A 268 -4.511 -9.442 6.756 1.00 0.00 O ATOM 876 CB LYS A 268 -6.965 -10.811 7.097 1.00 0.00 C ATOM 877 CG LYS A 268 -8.412 -11.106 7.458 1.00 0.00 C ATOM 878 CD LYS A 268 -9.025 -9.978 8.271 1.00 0.00 C ATOM 879 CE LYS A 268 -10.533 -10.127 8.386 1.00 0.00 C ATOM 880 NZ LYS A 268 -11.231 -8.814 8.294 1.00 0.00 N ATOM 0 H LYS A 268 -8.236 -9.317 4.594 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.246 -8.765 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.510 -11.713 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.417 -10.560 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -8.992 -11.256 6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.464 -12.035 8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.583 -9.965 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -8.788 -9.022 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -10.894 -10.786 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -10.779 -10.603 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -12.257 -8.960 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -10.906 -8.194 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -11.017 -8.371 7.378 1.00 0.00 H new ATOM 894 N TYR A 269 -4.973 -9.147 4.574 1.00 0.00 N ATOM 895 CA TYR A 269 -3.586 -8.874 4.210 1.00 0.00 C ATOM 896 C TYR A 269 -3.403 -7.408 3.824 1.00 0.00 C ATOM 897 O TYR A 269 -2.434 -7.054 3.151 1.00 0.00 O ATOM 898 CB TYR A 269 -3.150 -9.767 3.045 1.00 0.00 C ATOM 899 CG TYR A 269 -2.630 -11.120 3.473 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.249 -11.835 4.488 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.519 -11.682 2.857 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.776 -13.072 4.879 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.039 -12.920 3.242 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.672 -13.610 4.254 1.00 0.00 C ATOM 905 OH TYR A 269 -1.198 -14.843 4.641 1.00 0.00 O ATOM 0 H TYR A 269 -5.629 -9.116 3.794 1.00 0.00 H new ATOM 0 HA TYR A 269 -2.965 -9.090 5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -3.996 -9.910 2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.374 -9.254 2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.115 -11.417 4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.022 -11.143 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.269 -13.616 5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.174 -13.344 2.753 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.227 -14.876 4.510 1.00 0.00 H new ATOM 915 N GLY A 270 -4.334 -6.561 4.248 1.00 0.00 N ATOM 916 CA GLY A 270 -4.249 -5.148 3.928 1.00 0.00 C ATOM 917 C GLY A 270 -4.210 -4.273 5.166 1.00 0.00 C ATOM 918 O GLY A 270 -5.104 -4.338 6.009 1.00 0.00 O ATOM 0 H GLY A 270 -5.145 -6.827 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.355 -4.967 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.105 -4.866 3.314 1.00 0.00 H new ATOM 922 N LEU A 271 -3.173 -3.452 5.271 1.00 0.00 N ATOM 923 CA LEU A 271 -3.019 -2.556 6.411 1.00 0.00 C ATOM 924 C LEU A 271 -2.717 -1.136 5.944 1.00 0.00 C ATOM 925 O LEU A 271 -1.780 -0.909 5.179 1.00 0.00 O ATOM 926 CB LEU A 271 -1.904 -3.055 7.333 1.00 0.00 C ATOM 927 CG LEU A 271 -2.085 -2.709 8.813 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.349 -3.358 9.363 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.865 -3.143 9.615 1.00 0.00 C ATOM 0 H LEU A 271 -2.425 -3.388 4.580 1.00 0.00 H new ATOM 0 HA LEU A 271 -3.957 -2.545 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.830 -4.138 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -0.957 -2.638 6.991 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.188 -1.628 8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.461 -3.101 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.215 -2.997 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.277 -4.441 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -1.011 -2.889 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.730 -4.220 9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.020 -2.631 9.237 1.00 0.00 H new ATOM 941 N PHE A 272 -3.522 -0.184 6.406 1.00 0.00 N ATOM 942 CA PHE A 272 -3.346 1.215 6.033 1.00 0.00 C ATOM 943 C PHE A 272 -2.660 1.996 7.149 1.00 0.00 C ATOM 944 O PHE A 272 -3.238 2.198 8.214 1.00 0.00 O ATOM 945 CB PHE A 272 -4.703 1.851 5.722 1.00 0.00 C ATOM 946 CG PHE A 272 -5.274 1.442 4.394 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.432 0.104 4.073 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.657 2.400 3.468 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.961 -0.272 2.854 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.186 2.028 2.246 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.339 0.690 1.939 1.00 0.00 C ATOM 0 H PHE A 272 -4.303 -0.356 7.039 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.715 1.251 5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.408 1.583 6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.599 2.936 5.744 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.138 -0.654 4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.541 3.448 3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -6.079 -1.319 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.479 2.783 1.532 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.753 0.397 0.986 1.00 0.00 H new ATOM 961 N ALA A 273 -1.433 2.439 6.897 1.00 0.00 N ATOM 962 CA ALA A 273 -0.683 3.205 7.886 1.00 0.00 C ATOM 963 C ALA A 273 0.090 4.349 7.234 1.00 0.00 C ATOM 964 O ALA A 273 0.500 4.255 6.077 1.00 0.00 O ATOM 965 CB ALA A 273 0.266 2.304 8.665 1.00 0.00 C ATOM 0 H ALA A 273 -0.938 2.282 6.019 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.404 3.636 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.814 2.898 9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.306 1.532 9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.970 1.836 7.977 1.00 0.00 H new ATOM 971 N PRO A 274 0.297 5.448 7.978 1.00 0.00 N ATOM 972 CA PRO A 274 1.020 6.622 7.481 1.00 0.00 C ATOM 973 C PRO A 274 2.369 6.263 6.869 1.00 0.00 C ATOM 974 O PRO A 274 2.899 5.176 7.101 1.00 0.00 O ATOM 975 CB PRO A 274 1.226 7.472 8.732 1.00 0.00 C ATOM 976 CG PRO A 274 0.136 7.069 9.661 1.00 0.00 C ATOM 977 CD PRO A 274 -0.168 5.628 9.363 1.00 0.00 C ATOM 0 HA PRO A 274 0.468 7.125 6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.206 7.292 9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.172 8.535 8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.445 7.194 10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.748 7.690 9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.352 4.960 10.049 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.233 5.416 9.458 1.00 0.00 H new ATOM 985 N VAL A 275 2.921 7.188 6.093 1.00 0.00 N ATOM 986 CA VAL A 275 4.212 6.978 5.452 1.00 0.00 C ATOM 987 C VAL A 275 5.347 7.029 6.472 1.00 0.00 C ATOM 988 O VAL A 275 6.390 6.402 6.283 1.00 0.00 O ATOM 989 CB VAL A 275 4.468 8.030 4.353 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.483 9.431 4.943 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.771 7.736 3.624 1.00 0.00 C ATOM 0 H VAL A 275 2.493 8.092 5.893 1.00 0.00 H new ATOM 0 HA VAL A 275 4.186 5.988 4.996 1.00 0.00 H new ATOM 0 HB VAL A 275 3.654 7.976 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.665 10.157 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.521 9.639 5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.274 9.503 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.934 8.489 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.598 7.758 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.715 6.750 3.163 1.00 0.00 H new ATOM 1001 N HIS A 276 5.138 7.777 7.554 1.00 0.00 N ATOM 1002 CA HIS A 276 6.150 7.906 8.598 1.00 0.00 C ATOM 1003 C HIS A 276 6.163 6.676 9.503 1.00 0.00 C ATOM 1004 O HIS A 276 7.190 6.341 10.092 1.00 0.00 O ATOM 1005 CB HIS A 276 5.908 9.167 9.430 1.00 0.00 C ATOM 1006 CG HIS A 276 4.501 9.312 9.923 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.697 8.445 10.586 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 3.762 10.466 9.756 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.503 9.086 10.805 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.568 10.303 10.297 1.00 0.00 N flip ATOM 0 H HIS A 276 4.280 8.301 7.729 1.00 0.00 H new ATOM 0 HA HIS A 276 7.122 7.986 8.112 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.583 9.160 10.286 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.163 10.040 8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.106 11.362 9.261 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.648 8.663 11.311 1.00 0.00 H new ATOM 0 HE2 HIS A 276 1.823 10.999 10.319 1.00 0.00 H new ATOM 1019 N LYS A 277 5.022 6.001 9.603 1.00 0.00 N ATOM 1020 CA LYS A 277 4.916 4.806 10.433 1.00 0.00 C ATOM 1021 C LYS A 277 5.467 3.587 9.703 1.00 0.00 C ATOM 1022 O LYS A 277 5.807 2.582 10.327 1.00 0.00 O ATOM 1023 CB LYS A 277 3.460 4.552 10.830 1.00 0.00 C ATOM 1024 CG LYS A 277 2.996 5.386 12.014 1.00 0.00 C ATOM 1025 CD LYS A 277 2.621 4.507 13.199 1.00 0.00 C ATOM 1026 CE LYS A 277 3.101 5.096 14.516 1.00 0.00 C ATOM 1027 NZ LYS A 277 2.964 6.580 14.551 1.00 0.00 N ATOM 0 H LYS A 277 4.161 6.260 9.122 1.00 0.00 H new ATOM 0 HA LYS A 277 5.507 4.974 11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.817 4.762 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.337 3.496 11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.787 6.076 12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 277 2.138 5.990 11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.539 4.382 13.230 1.00 0.00 H new ATOM 0 HD3 LYS A 277 3.053 3.515 13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 277 2.531 4.661 15.336 1.00 0.00 H new ATOM 0 HE3 LYS A 277 4.145 4.825 14.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 2.701 6.882 15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 3.869 7.019 14.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 2.226 6.876 13.881 1.00 0.00 H new ATOM 1041 N VAL A 278 5.557 3.682 8.382 1.00 0.00 N ATOM 1042 CA VAL A 278 6.071 2.582 7.580 1.00 0.00 C ATOM 1043 C VAL A 278 7.564 2.739 7.324 1.00 0.00 C ATOM 1044 O VAL A 278 8.062 3.850 7.143 1.00 0.00 O ATOM 1045 CB VAL A 278 5.339 2.467 6.230 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.732 1.183 5.525 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.835 2.524 6.426 1.00 0.00 C ATOM 0 H VAL A 278 5.282 4.506 7.847 1.00 0.00 H new ATOM 0 HA VAL A 278 5.895 1.672 8.153 1.00 0.00 H new ATOM 0 HB VAL A 278 5.634 3.312 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.207 1.116 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.807 1.180 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.465 0.329 6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.339 2.441 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.520 1.701 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.565 3.471 6.892 1.00 0.00 H new ATOM 1057 N THR A 279 8.273 1.615 7.316 1.00 0.00 N ATOM 1058 CA THR A 279 9.711 1.622 7.087 1.00 0.00 C ATOM 1059 C THR A 279 10.132 0.430 6.234 1.00 0.00 C ATOM 1060 O THR A 279 9.546 -0.649 6.326 1.00 0.00 O ATOM 1061 CB THR A 279 10.457 1.596 8.423 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.602 1.987 9.483 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.664 2.506 8.452 1.00 0.00 C ATOM 0 H THR A 279 7.874 0.688 7.466 1.00 0.00 H new ATOM 0 HA THR A 279 9.966 2.536 6.551 1.00 0.00 H new ATOM 0 HB THR A 279 10.794 0.566 8.545 1.00 0.00 H new ATOM 0 HG1 THR A 279 10.097 1.962 10.329 1.00 0.00 H new ATOM 0 HG21 THR A 279 12.146 2.440 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.368 2.202 7.677 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.349 3.534 8.272 1.00 0.00 H new ATOM 1071 N LYS A 280 11.150 0.632 5.406 1.00 0.00 N ATOM 1072 CA LYS A 280 11.649 -0.428 4.538 1.00 0.00 C ATOM 1073 C LYS A 280 12.369 -1.499 5.354 1.00 0.00 C ATOM 1074 O LYS A 280 13.216 -1.190 6.192 1.00 0.00 O ATOM 1075 CB LYS A 280 12.591 0.151 3.480 1.00 0.00 C ATOM 1076 CG LYS A 280 12.088 -0.030 2.057 1.00 0.00 C ATOM 1077 CD LYS A 280 13.229 0.003 1.051 1.00 0.00 C ATOM 1078 CE LYS A 280 13.216 1.286 0.235 1.00 0.00 C ATOM 1079 NZ LYS A 280 13.945 1.129 -1.055 1.00 0.00 N ATOM 0 H LYS A 280 11.646 1.519 5.317 1.00 0.00 H new ATOM 0 HA LYS A 280 10.798 -0.889 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.733 1.214 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.567 -0.324 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.558 -0.979 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.371 0.757 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 280 14.180 -0.086 1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 280 13.151 -0.855 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 280 12.185 1.580 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 280 13.671 2.090 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 13.914 2.025 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 14.935 0.873 -0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 13.496 0.379 -1.619 1.00 0.00 H new ATOM 1093 N ILE A 281 12.027 -2.758 5.102 1.00 0.00 N ATOM 1094 CA ILE A 281 12.641 -3.873 5.813 1.00 0.00 C ATOM 1095 C ILE A 281 13.993 -4.236 5.207 1.00 0.00 C ATOM 1096 O ILE A 281 14.882 -4.729 5.900 1.00 0.00 O ATOM 1097 CB ILE A 281 11.728 -5.117 5.804 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.336 -6.232 6.659 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.497 -5.601 4.380 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.304 -7.053 7.402 1.00 0.00 C ATOM 0 H ILE A 281 11.328 -3.032 4.411 1.00 0.00 H new ATOM 0 HA ILE A 281 12.787 -3.550 6.844 1.00 0.00 H new ATOM 0 HB ILE A 281 10.764 -4.840 6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.922 -6.892 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 281 13.026 -5.792 7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.851 -6.479 4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 281 11.022 -4.810 3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 281 12.453 -5.861 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.805 -7.824 7.987 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.734 -6.405 8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.628 -7.522 6.687 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.340 3.981 14.675 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.289 4.874 13.522 1.00 0.00 C ATOM 1200 C GLU B 449 -2.430 4.095 12.222 1.00 0.00 C ATOM 1201 O GLU B 449 -2.019 4.567 11.166 1.00 0.00 O ATOM 1202 CB GLU B 449 -0.972 5.652 13.499 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.443 6.010 14.879 1.00 0.00 C ATOM 1204 CD GLU B 449 -1.265 7.089 15.557 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -2.507 7.057 15.431 1.00 0.00 O ATOM 1206 OE2 GLU B 449 -0.666 7.967 16.212 1.00 0.00 O ATOM 0 HA GLU B 449 -3.121 5.572 13.612 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.221 5.060 12.975 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.113 6.568 12.926 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -0.436 5.117 15.504 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.590 6.346 14.792 1.00 0.00 H new ATOM 1213 N GLU B 450 -3.003 2.901 12.298 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.177 2.079 11.110 1.00 0.00 C ATOM 1215 C GLU B 450 -4.542 1.399 11.101 1.00 0.00 C ATOM 1216 O GLU B 450 -5.132 1.146 12.151 1.00 0.00 O ATOM 1217 CB GLU B 450 -2.057 1.039 11.018 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.169 -0.085 12.038 1.00 0.00 C ATOM 1219 CD GLU B 450 -1.733 0.340 13.425 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -2.488 1.087 14.082 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.635 -0.072 13.856 1.00 0.00 O ATOM 0 H GLU B 450 -3.352 2.484 13.161 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.126 2.730 10.237 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -2.057 0.608 10.017 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.098 1.540 11.149 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.201 -0.434 12.077 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -1.560 -0.928 11.712 1.00 0.00 H new ATOM 1228 N TYR B 451 -5.039 1.107 9.902 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.335 0.458 9.747 1.00 0.00 C ATOM 1230 C TYR B 451 -6.255 -0.681 8.736 1.00 0.00 C ATOM 1231 O TYR B 451 -5.160 -1.262 8.586 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.385 1.477 9.302 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.931 2.319 10.434 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.233 3.426 10.899 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.141 2.005 11.037 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.727 4.198 11.934 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.643 2.772 12.073 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.932 3.867 12.517 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.427 4.634 13.547 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.289 -0.983 8.103 1.00 0.00 O ATOM 0 H TYR B 451 -4.562 1.310 9.023 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.625 0.043 10.712 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.946 2.134 8.551 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.210 0.950 8.822 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.289 3.688 10.445 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.700 1.148 10.692 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.172 5.056 12.284 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.586 2.515 12.531 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.285 4.267 13.845 1.00 0.00 H new