USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 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 10 THR OG1 : rot -23:sc= 0.374 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0.364 (180deg=0.097) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 165:sc= -0.183 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 41:sc= 0.333 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -66:sc= 1.75 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot 32:sc= 0.162 USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc=-0.00591 K(o=-0.0059,f=-0.93) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -177:sc= -0.377 (180deg=-0.464) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 45:sc= 0.342 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -42:sc= 1.22 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -10.432 -10.501 -4.868 1.00 61.53 N ATOM 138 CA THR A 10 -9.065 -10.624 -4.497 1.00 23.10 C ATOM 139 C THR A 10 -8.182 -9.577 -5.169 1.00 30.42 C ATOM 140 O THR A 10 -8.241 -9.370 -6.396 1.00 42.34 O ATOM 141 CB THR A 10 -8.591 -12.017 -4.873 1.00 40.51 C ATOM 142 OG1 THR A 10 -8.989 -12.277 -6.230 1.00 65.13 O ATOM 143 CG2 THR A 10 -9.213 -13.052 -3.959 1.00 54.13 C ATOM 0 HA THR A 10 -8.985 -10.460 -3.422 1.00 23.10 H new ATOM 0 HB THR A 10 -7.507 -12.074 -4.773 1.00 40.51 H new ATOM 0 HG1 THR A 10 -9.752 -11.708 -6.462 1.00 65.13 H new ATOM 0 HG21 THR A 10 -8.863 -14.045 -4.242 1.00 54.13 H new ATOM 0 HG22 THR A 10 -8.926 -12.846 -2.928 1.00 54.13 H new ATOM 0 HG23 THR A 10 -10.299 -13.011 -4.048 1.00 54.13 H new ATOM 151 N CYS A 11 -7.391 -8.913 -4.378 1.00 52.33 N ATOM 152 CA CYS A 11 -6.448 -7.966 -4.887 1.00 63.12 C ATOM 153 C CYS A 11 -5.079 -8.385 -4.383 1.00 53.03 C ATOM 154 O CYS A 11 -4.962 -8.898 -3.267 1.00 71.05 O ATOM 155 CB CYS A 11 -6.776 -6.554 -4.379 1.00 40.41 C ATOM 156 SG CYS A 11 -8.522 -6.013 -4.627 1.00 11.32 S ATOM 0 H CYS A 11 -7.383 -9.014 -3.363 1.00 52.33 H new ATOM 0 HA CYS A 11 -6.479 -7.946 -5.976 1.00 63.12 H new ATOM 0 HB2 CYS A 11 -6.546 -6.506 -3.315 1.00 40.41 H new ATOM 0 HB3 CYS A 11 -6.118 -5.844 -4.880 1.00 40.41 H new ATOM 161 N VAL A 12 -4.061 -8.191 -5.176 1.00 42.24 N ATOM 162 CA VAL A 12 -2.723 -8.556 -4.784 1.00 62.51 C ATOM 163 C VAL A 12 -1.843 -7.304 -4.714 1.00 0.03 C ATOM 164 O VAL A 12 -1.966 -6.405 -5.543 1.00 55.02 O ATOM 165 CB VAL A 12 -2.110 -9.674 -5.714 1.00 13.42 C ATOM 166 CG1 VAL A 12 -2.885 -10.976 -5.559 1.00 3.52 C ATOM 167 CG2 VAL A 12 -2.110 -9.253 -7.183 1.00 44.41 C ATOM 0 H VAL A 12 -4.132 -7.779 -6.106 1.00 42.24 H new ATOM 0 HA VAL A 12 -2.765 -8.998 -3.789 1.00 62.51 H new ATOM 0 HB VAL A 12 -1.076 -9.823 -5.403 1.00 13.42 H new ATOM 0 HG11 VAL A 12 -2.450 -11.737 -6.207 1.00 3.52 H new ATOM 0 HG12 VAL A 12 -2.833 -11.309 -4.522 1.00 3.52 H new ATOM 0 HG13 VAL A 12 -3.927 -10.815 -5.837 1.00 3.52 H new ATOM 0 HG21 VAL A 12 -1.680 -10.050 -7.790 1.00 44.41 H new ATOM 0 HG22 VAL A 12 -3.133 -9.062 -7.507 1.00 44.41 H new ATOM 0 HG23 VAL A 12 -1.517 -8.346 -7.302 1.00 44.41 H new ATOM 177 N SER A 13 -0.994 -7.216 -3.720 1.00 53.22 N ATOM 178 CA SER A 13 -0.196 -6.028 -3.539 1.00 23.02 C ATOM 179 C SER A 13 1.214 -6.336 -3.034 1.00 11.13 C ATOM 180 O SER A 13 1.407 -7.203 -2.177 1.00 12.32 O ATOM 181 CB SER A 13 -0.918 -5.069 -2.587 1.00 50.33 C ATOM 182 OG SER A 13 -1.247 -5.712 -1.360 1.00 62.50 O ATOM 0 H SER A 13 -0.838 -7.948 -3.027 1.00 53.22 H new ATOM 0 HA SER A 13 -0.075 -5.557 -4.514 1.00 23.02 H new ATOM 0 HB2 SER A 13 -0.285 -4.204 -2.389 1.00 50.33 H new ATOM 0 HB3 SER A 13 -1.827 -4.697 -3.061 1.00 50.33 H new ATOM 0 HG SER A 13 -1.705 -5.077 -0.771 1.00 62.50 H new ATOM 188 N LEU A 14 2.186 -5.654 -3.600 1.00 34.11 N ATOM 189 CA LEU A 14 3.585 -5.748 -3.135 1.00 51.23 C ATOM 190 C LEU A 14 4.146 -4.413 -2.774 1.00 31.25 C ATOM 191 O LEU A 14 3.848 -3.403 -3.409 1.00 65.03 O ATOM 192 CB LEU A 14 4.548 -6.422 -4.125 1.00 31.34 C ATOM 193 CG LEU A 14 4.477 -7.931 -4.279 1.00 1.54 C ATOM 194 CD1 LEU A 14 5.519 -8.399 -5.252 1.00 22.33 C ATOM 195 CD2 LEU A 14 4.642 -8.632 -2.942 1.00 3.10 C ATOM 0 H LEU A 14 2.049 -5.021 -4.388 1.00 34.11 H new ATOM 0 HA LEU A 14 3.517 -6.386 -2.254 1.00 51.23 H new ATOM 0 HB2 LEU A 14 4.381 -5.979 -5.107 1.00 31.34 H new ATOM 0 HB3 LEU A 14 5.565 -6.165 -3.828 1.00 31.34 H new ATOM 0 HG LEU A 14 3.491 -8.187 -4.666 1.00 1.54 H new ATOM 0 HD11 LEU A 14 5.460 -9.482 -5.355 1.00 22.33 H new ATOM 0 HD12 LEU A 14 5.347 -7.932 -6.222 1.00 22.33 H new ATOM 0 HD13 LEU A 14 6.508 -8.123 -4.887 1.00 22.33 H new ATOM 0 HD21 LEU A 14 4.586 -9.711 -3.087 1.00 3.10 H new ATOM 0 HD22 LEU A 14 5.610 -8.373 -2.513 1.00 3.10 H new ATOM 0 HD23 LEU A 14 3.848 -8.316 -2.265 1.00 3.10 H new ATOM 207 N THR A 15 4.961 -4.400 -1.767 1.00 74.15 N ATOM 208 CA THR A 15 5.637 -3.215 -1.382 1.00 72.13 C ATOM 209 C THR A 15 7.005 -3.231 -2.060 1.00 44.34 C ATOM 210 O THR A 15 7.698 -4.261 -2.063 1.00 63.33 O ATOM 211 CB THR A 15 5.786 -3.151 0.140 1.00 52.33 C ATOM 212 OG1 THR A 15 4.492 -3.361 0.723 1.00 54.23 O ATOM 213 CG2 THR A 15 6.291 -1.785 0.563 1.00 52.33 C ATOM 0 H THR A 15 5.173 -5.215 -1.192 1.00 74.15 H new ATOM 0 HA THR A 15 5.072 -2.334 -1.687 1.00 72.13 H new ATOM 0 HB THR A 15 6.496 -3.910 0.469 1.00 52.33 H new ATOM 0 HG1 THR A 15 4.564 -3.326 1.700 1.00 54.23 H new ATOM 0 HG21 THR A 15 6.392 -1.754 1.648 1.00 52.33 H new ATOM 0 HG22 THR A 15 7.261 -1.597 0.103 1.00 52.33 H new ATOM 0 HG23 THR A 15 5.583 -1.020 0.243 1.00 52.33 H new ATOM 221 N THR A 16 7.376 -2.136 -2.628 1.00 12.52 N ATOM 222 CA THR A 16 8.567 -2.060 -3.406 1.00 34.54 C ATOM 223 C THR A 16 9.567 -1.154 -2.726 1.00 61.32 C ATOM 224 O THR A 16 9.233 -0.463 -1.748 1.00 23.32 O ATOM 225 CB THR A 16 8.271 -1.561 -4.863 1.00 74.13 C ATOM 226 OG1 THR A 16 9.462 -1.602 -5.663 1.00 51.21 O ATOM 227 CG2 THR A 16 7.726 -0.137 -4.861 1.00 34.53 C ATOM 0 H THR A 16 6.858 -1.260 -2.566 1.00 12.52 H new ATOM 0 HA THR A 16 8.988 -3.062 -3.484 1.00 34.54 H new ATOM 0 HB THR A 16 7.520 -2.228 -5.287 1.00 74.13 H new ATOM 0 HG1 THR A 16 9.258 -1.289 -6.569 1.00 51.21 H new ATOM 0 HG21 THR A 16 7.531 0.179 -5.886 1.00 34.53 H new ATOM 0 HG22 THR A 16 6.799 -0.103 -4.288 1.00 34.53 H new ATOM 0 HG23 THR A 16 8.458 0.532 -4.408 1.00 34.53 H new ATOM 235 N GLN A 17 10.797 -1.220 -3.181 1.00 13.14 N ATOM 236 CA GLN A 17 11.831 -0.315 -2.738 1.00 14.45 C ATOM 237 C GLN A 17 11.311 1.095 -2.985 1.00 14.41 C ATOM 238 O GLN A 17 10.670 1.331 -4.007 1.00 1.20 O ATOM 239 CB GLN A 17 13.097 -0.583 -3.542 1.00 13.43 C ATOM 240 CG GLN A 17 13.572 -2.022 -3.419 1.00 73.31 C ATOM 241 CD GLN A 17 14.754 -2.344 -4.292 1.00 0.02 C ATOM 242 OE1 GLN A 17 15.584 -1.488 -4.589 1.00 1.11 O ATOM 243 NE2 GLN A 17 14.839 -3.576 -4.702 1.00 2.04 N ATOM 0 H GLN A 17 11.109 -1.904 -3.870 1.00 13.14 H new ATOM 0 HA GLN A 17 12.071 -0.445 -1.683 1.00 14.45 H new ATOM 0 HB2 GLN A 17 12.912 -0.353 -4.591 1.00 13.43 H new ATOM 0 HB3 GLN A 17 13.887 0.087 -3.203 1.00 13.43 H new ATOM 0 HG2 GLN A 17 13.834 -2.222 -2.380 1.00 73.31 H new ATOM 0 HG3 GLN A 17 12.750 -2.690 -3.675 1.00 73.31 H new ATOM 0 HE21 GLN A 17 14.127 -4.254 -4.431 1.00 2.04 H new ATOM 0 HE22 GLN A 17 15.618 -3.864 -5.294 1.00 2.04 H new ATOM 252 N ARG A 18 11.563 1.995 -2.053 1.00 31.12 N ATOM 253 CA ARG A 18 10.980 3.342 -2.066 1.00 74.23 C ATOM 254 C ARG A 18 11.221 4.080 -3.372 1.00 31.10 C ATOM 255 O ARG A 18 12.315 4.573 -3.628 1.00 65.50 O ATOM 256 CB ARG A 18 11.488 4.164 -0.886 1.00 21.44 C ATOM 257 CG ARG A 18 11.184 3.545 0.463 1.00 71.12 C ATOM 258 CD ARG A 18 11.728 4.394 1.586 1.00 73.04 C ATOM 259 NE ARG A 18 11.495 3.796 2.900 1.00 35.41 N ATOM 260 CZ ARG A 18 11.840 4.365 4.062 1.00 51.15 C ATOM 261 NH1 ARG A 18 12.448 5.544 4.067 1.00 64.33 N ATOM 262 NH2 ARG A 18 11.588 3.745 5.205 1.00 22.22 N ATOM 0 H ARG A 18 12.179 1.821 -1.259 1.00 31.12 H new ATOM 0 HA ARG A 18 9.902 3.212 -1.973 1.00 74.23 H new ATOM 0 HB2 ARG A 18 12.566 4.293 -0.982 1.00 21.44 H new ATOM 0 HB3 ARG A 18 11.043 5.158 -0.928 1.00 21.44 H new ATOM 0 HG2 ARG A 18 10.106 3.430 0.579 1.00 71.12 H new ATOM 0 HG3 ARG A 18 11.618 2.547 0.515 1.00 71.12 H new ATOM 0 HD2 ARG A 18 12.798 4.541 1.441 1.00 73.04 H new ATOM 0 HD3 ARG A 18 11.263 5.379 1.551 1.00 73.04 H new ATOM 0 HE ARG A 18 11.039 2.884 2.934 1.00 35.41 H new ATOM 0 HH11 ARG A 18 12.652 6.016 3.186 1.00 64.33 H new ATOM 0 HH12 ARG A 18 12.711 5.978 4.952 1.00 64.33 H new ATOM 0 HH21 ARG A 18 11.131 2.833 5.201 1.00 22.22 H new ATOM 0 HH22 ARG A 18 11.851 4.179 6.090 1.00 22.22 H new ATOM 276 N LEU A 19 10.206 4.112 -4.193 1.00 30.33 N ATOM 277 CA LEU A 19 10.243 4.805 -5.448 1.00 42.42 C ATOM 278 C LEU A 19 9.200 5.892 -5.407 1.00 53.33 C ATOM 279 O LEU A 19 8.000 5.605 -5.369 1.00 23.04 O ATOM 280 CB LEU A 19 9.963 3.846 -6.620 1.00 41.11 C ATOM 281 CG LEU A 19 10.954 2.689 -6.813 1.00 22.25 C ATOM 282 CD1 LEU A 19 10.520 1.807 -7.969 1.00 24.23 C ATOM 283 CD2 LEU A 19 12.368 3.214 -7.048 1.00 5.14 C ATOM 0 H LEU A 19 9.317 3.649 -4.004 1.00 30.33 H new ATOM 0 HA LEU A 19 11.235 5.229 -5.604 1.00 42.42 H new ATOM 0 HB2 LEU A 19 8.968 3.423 -6.484 1.00 41.11 H new ATOM 0 HB3 LEU A 19 9.938 4.430 -7.540 1.00 41.11 H new ATOM 0 HG LEU A 19 10.960 2.093 -5.900 1.00 22.25 H new ATOM 0 HD11 LEU A 19 11.233 0.992 -8.092 1.00 24.23 H new ATOM 0 HD12 LEU A 19 9.532 1.396 -7.762 1.00 24.23 H new ATOM 0 HD13 LEU A 19 10.483 2.398 -8.884 1.00 24.23 H new ATOM 0 HD21 LEU A 19 13.050 2.375 -7.182 1.00 5.14 H new ATOM 0 HD22 LEU A 19 12.381 3.838 -7.942 1.00 5.14 H new ATOM 0 HD23 LEU A 19 12.684 3.805 -6.189 1.00 5.14 H new ATOM 295 N PRO A 20 9.625 7.147 -5.367 1.00 10.34 N ATOM 296 CA PRO A 20 8.708 8.262 -5.296 1.00 50.31 C ATOM 297 C PRO A 20 7.910 8.424 -6.582 1.00 3.11 C ATOM 298 O PRO A 20 8.431 8.235 -7.687 1.00 34.25 O ATOM 299 CB PRO A 20 9.616 9.475 -5.071 1.00 71.33 C ATOM 300 CG PRO A 20 10.946 9.062 -5.593 1.00 55.01 C ATOM 301 CD PRO A 20 11.037 7.579 -5.393 1.00 72.33 C ATOM 0 HA PRO A 20 7.967 8.128 -4.508 1.00 50.31 H new ATOM 0 HB2 PRO A 20 9.240 10.352 -5.598 1.00 71.33 H new ATOM 0 HB3 PRO A 20 9.671 9.737 -4.014 1.00 71.33 H new ATOM 0 HG2 PRO A 20 11.046 9.319 -6.648 1.00 55.01 H new ATOM 0 HG3 PRO A 20 11.748 9.575 -5.063 1.00 55.01 H new ATOM 0 HD2 PRO A 20 11.589 7.098 -6.201 1.00 72.33 H new ATOM 0 HD3 PRO A 20 11.550 7.330 -4.464 1.00 72.33 H new ATOM 309 N VAL A 21 6.663 8.761 -6.428 1.00 70.33 N ATOM 310 CA VAL A 21 5.780 8.995 -7.537 1.00 64.00 C ATOM 311 C VAL A 21 5.118 10.340 -7.342 1.00 14.21 C ATOM 312 O VAL A 21 5.064 10.839 -6.209 1.00 23.03 O ATOM 313 CB VAL A 21 4.700 7.875 -7.704 1.00 30.31 C ATOM 314 CG1 VAL A 21 5.350 6.536 -8.031 1.00 55.41 C ATOM 315 CG2 VAL A 21 3.837 7.747 -6.459 1.00 14.50 C ATOM 0 H VAL A 21 6.223 8.883 -5.516 1.00 70.33 H new ATOM 0 HA VAL A 21 6.372 8.982 -8.452 1.00 64.00 H new ATOM 0 HB VAL A 21 4.058 8.164 -8.536 1.00 30.31 H new ATOM 0 HG11 VAL A 21 4.578 5.774 -8.142 1.00 55.41 H new ATOM 0 HG12 VAL A 21 5.912 6.622 -8.961 1.00 55.41 H new ATOM 0 HG13 VAL A 21 6.026 6.253 -7.224 1.00 55.41 H new ATOM 0 HG21 VAL A 21 3.097 6.960 -6.608 1.00 14.50 H new ATOM 0 HG22 VAL A 21 4.466 7.496 -5.605 1.00 14.50 H new ATOM 0 HG23 VAL A 21 3.328 8.692 -6.270 1.00 14.50 H new ATOM 325 N SER A 22 4.610 10.909 -8.405 1.00 52.02 N ATOM 326 CA SER A 22 4.027 12.234 -8.359 1.00 31.34 C ATOM 327 C SER A 22 2.741 12.245 -7.505 1.00 72.52 C ATOM 328 O SER A 22 2.483 13.193 -6.764 1.00 34.13 O ATOM 329 CB SER A 22 3.762 12.733 -9.796 1.00 45.10 C ATOM 330 OG SER A 22 3.304 14.080 -9.823 1.00 41.53 O ATOM 0 H SER A 22 4.587 10.472 -9.326 1.00 52.02 H new ATOM 0 HA SER A 22 4.730 12.916 -7.881 1.00 31.34 H new ATOM 0 HB2 SER A 22 4.678 12.651 -10.382 1.00 45.10 H new ATOM 0 HB3 SER A 22 3.021 12.090 -10.271 1.00 45.10 H new ATOM 0 HG SER A 22 3.151 14.355 -10.751 1.00 41.53 H new ATOM 336 N ARG A 23 1.963 11.187 -7.602 1.00 33.02 N ATOM 337 CA ARG A 23 0.716 11.052 -6.842 1.00 52.53 C ATOM 338 C ARG A 23 0.313 9.594 -6.805 1.00 14.54 C ATOM 339 O ARG A 23 0.975 8.758 -7.412 1.00 11.30 O ATOM 340 CB ARG A 23 -0.409 11.887 -7.497 1.00 33.24 C ATOM 341 CG ARG A 23 -0.646 11.521 -8.946 1.00 30.45 C ATOM 342 CD ARG A 23 -1.774 12.308 -9.583 1.00 22.53 C ATOM 343 NE ARG A 23 -1.911 11.958 -11.005 1.00 53.11 N ATOM 344 CZ ARG A 23 -3.048 12.006 -11.716 1.00 44.00 C ATOM 345 NH1 ARG A 23 -4.185 12.403 -11.146 1.00 22.14 N ATOM 346 NH2 ARG A 23 -3.040 11.664 -12.999 1.00 42.12 N ATOM 0 H ARG A 23 2.168 10.391 -8.207 1.00 33.02 H new ATOM 0 HA ARG A 23 0.875 11.419 -5.828 1.00 52.53 H new ATOM 0 HB2 ARG A 23 -1.333 11.746 -6.936 1.00 33.24 H new ATOM 0 HB3 ARG A 23 -0.155 12.945 -7.432 1.00 33.24 H new ATOM 0 HG2 ARG A 23 0.271 11.689 -9.511 1.00 30.45 H new ATOM 0 HG3 ARG A 23 -0.871 10.457 -9.013 1.00 30.45 H new ATOM 0 HD2 ARG A 23 -2.708 12.102 -9.061 1.00 22.53 H new ATOM 0 HD3 ARG A 23 -1.581 13.376 -9.483 1.00 22.53 H new ATOM 0 HE ARG A 23 -1.069 11.652 -11.493 1.00 53.11 H new ATOM 0 HH11 ARG A 23 -4.195 12.673 -10.162 1.00 22.14 H new ATOM 0 HH12 ARG A 23 -5.045 12.437 -11.693 1.00 22.14 H new ATOM 0 HH21 ARG A 23 -2.171 11.366 -13.442 1.00 42.12 H new ATOM 0 HH22 ARG A 23 -3.903 11.700 -13.542 1.00 42.12 H new ATOM 360 N ILE A 24 -0.750 9.286 -6.111 1.00 71.14 N ATOM 361 CA ILE A 24 -1.276 7.936 -6.074 1.00 34.05 C ATOM 362 C ILE A 24 -2.341 7.882 -7.150 1.00 42.32 C ATOM 363 O ILE A 24 -3.278 8.686 -7.133 1.00 63.04 O ATOM 364 CB ILE A 24 -1.944 7.623 -4.695 1.00 2.14 C ATOM 365 CG1 ILE A 24 -1.016 8.018 -3.511 1.00 61.31 C ATOM 366 CG2 ILE A 24 -2.327 6.142 -4.601 1.00 62.22 C ATOM 367 CD1 ILE A 24 0.313 7.322 -3.475 1.00 12.31 C ATOM 0 H ILE A 24 -1.279 9.958 -5.555 1.00 71.14 H new ATOM 0 HA ILE A 24 -0.476 7.211 -6.226 1.00 34.05 H new ATOM 0 HB ILE A 24 -2.851 8.223 -4.626 1.00 2.14 H new ATOM 0 HG12 ILE A 24 -0.843 9.093 -3.550 1.00 61.31 H new ATOM 0 HG13 ILE A 24 -1.540 7.813 -2.577 1.00 61.31 H new ATOM 0 HG21 ILE A 24 -2.790 5.947 -3.634 1.00 62.22 H new ATOM 0 HG22 ILE A 24 -3.031 5.897 -5.396 1.00 62.22 H new ATOM 0 HG23 ILE A 24 -1.433 5.528 -4.706 1.00 62.22 H new ATOM 0 HD11 ILE A 24 0.882 7.668 -2.612 1.00 12.31 H new ATOM 0 HD12 ILE A 24 0.158 6.246 -3.399 1.00 12.31 H new ATOM 0 HD13 ILE A 24 0.866 7.546 -4.387 1.00 12.31 H new ATOM 379 N LYS A 25 -2.198 6.985 -8.090 1.00 61.40 N ATOM 380 CA LYS A 25 -3.127 6.928 -9.180 1.00 44.22 C ATOM 381 C LYS A 25 -3.492 5.503 -9.463 1.00 44.14 C ATOM 382 O LYS A 25 -2.729 4.580 -9.116 1.00 31.32 O ATOM 383 CB LYS A 25 -2.602 7.612 -10.499 1.00 22.32 C ATOM 384 CG LYS A 25 -1.538 6.852 -11.338 1.00 33.24 C ATOM 385 CD LYS A 25 -0.068 7.154 -11.006 1.00 32.43 C ATOM 386 CE LYS A 25 0.313 6.801 -9.610 1.00 73.04 C ATOM 387 NZ LYS A 25 1.751 6.981 -9.349 1.00 24.32 N ATOM 0 H LYS A 25 -1.452 6.290 -8.121 1.00 61.40 H new ATOM 0 HA LYS A 25 -4.003 7.495 -8.865 1.00 44.22 H new ATOM 0 HB2 LYS A 25 -3.461 7.802 -11.142 1.00 22.32 H new ATOM 0 HB3 LYS A 25 -2.185 8.582 -10.229 1.00 22.32 H new ATOM 0 HG2 LYS A 25 -1.704 5.782 -11.214 1.00 33.24 H new ATOM 0 HG3 LYS A 25 -1.705 7.080 -12.391 1.00 33.24 H new ATOM 0 HD2 LYS A 25 0.572 6.606 -11.698 1.00 32.43 H new ATOM 0 HD3 LYS A 25 0.122 8.215 -11.168 1.00 32.43 H new ATOM 0 HE2 LYS A 25 -0.258 7.417 -8.915 1.00 73.04 H new ATOM 0 HE3 LYS A 25 0.040 5.764 -9.415 1.00 73.04 H new ATOM 0 HZ1 LYS A 25 1.991 6.565 -8.427 1.00 24.32 H new ATOM 0 HZ2 LYS A 25 2.301 6.509 -10.095 1.00 24.32 H new ATOM 0 HZ3 LYS A 25 1.978 7.996 -9.341 1.00 24.32 H new ATOM 401 N THR A 26 -4.630 5.321 -10.083 1.00 20.25 N ATOM 402 CA THR A 26 -5.099 4.026 -10.451 1.00 31.22 C ATOM 403 C THR A 26 -5.278 3.903 -11.944 1.00 30.03 C ATOM 404 O THR A 26 -5.841 4.789 -12.595 1.00 0.35 O ATOM 405 CB THR A 26 -6.414 3.629 -9.730 1.00 62.10 C ATOM 406 OG1 THR A 26 -7.393 4.693 -9.798 1.00 4.44 O ATOM 407 CG2 THR A 26 -6.168 3.219 -8.297 1.00 73.35 C ATOM 0 H THR A 26 -5.258 6.081 -10.346 1.00 20.25 H new ATOM 0 HA THR A 26 -4.324 3.332 -10.127 1.00 31.22 H new ATOM 0 HB THR A 26 -6.816 2.763 -10.256 1.00 62.10 H new ATOM 0 HG1 THR A 26 -8.212 4.414 -9.337 1.00 4.44 H new ATOM 0 HG21 THR A 26 -7.114 2.949 -7.828 1.00 73.35 H new ATOM 0 HG22 THR A 26 -5.494 2.363 -8.274 1.00 73.35 H new ATOM 0 HG23 THR A 26 -5.718 4.049 -7.753 1.00 73.35 H new ATOM 415 N TYR A 27 -4.767 2.839 -12.481 1.00 35.10 N ATOM 416 CA TYR A 27 -4.960 2.513 -13.870 1.00 64.21 C ATOM 417 C TYR A 27 -5.860 1.340 -13.953 1.00 45.11 C ATOM 418 O TYR A 27 -5.768 0.436 -13.134 1.00 34.32 O ATOM 419 CB TYR A 27 -3.637 2.200 -14.571 1.00 51.11 C ATOM 420 CG TYR A 27 -2.754 3.390 -14.738 1.00 51.22 C ATOM 421 CD1 TYR A 27 -2.879 4.202 -15.852 1.00 54.51 C ATOM 422 CD2 TYR A 27 -1.810 3.717 -13.789 1.00 61.44 C ATOM 423 CE1 TYR A 27 -2.085 5.305 -16.017 1.00 3.30 C ATOM 424 CE2 TYR A 27 -1.013 4.822 -13.941 1.00 25.32 C ATOM 425 CZ TYR A 27 -1.154 5.616 -15.061 1.00 41.25 C ATOM 426 OH TYR A 27 -0.367 6.738 -15.215 1.00 73.41 O ATOM 0 H TYR A 27 -4.199 2.164 -11.969 1.00 35.10 H new ATOM 0 HA TYR A 27 -5.398 3.375 -14.374 1.00 64.21 H new ATOM 0 HB2 TYR A 27 -3.104 1.440 -14.000 1.00 51.11 H new ATOM 0 HB3 TYR A 27 -3.847 1.773 -15.552 1.00 51.11 H new ATOM 0 HD1 TYR A 27 -3.616 3.961 -16.604 1.00 54.51 H new ATOM 0 HD2 TYR A 27 -1.696 3.094 -12.914 1.00 61.44 H new ATOM 0 HE1 TYR A 27 -2.192 5.926 -16.894 1.00 3.30 H new ATOM 0 HE2 TYR A 27 -0.279 5.070 -13.189 1.00 25.32 H new ATOM 0 HH TYR A 27 0.064 6.955 -14.362 1.00 73.41 H new ATOM 436 N THR A 28 -6.750 1.355 -14.885 1.00 10.33 N ATOM 437 CA THR A 28 -7.629 0.261 -15.050 1.00 11.14 C ATOM 438 C THR A 28 -7.371 -0.388 -16.397 1.00 44.20 C ATOM 439 O THR A 28 -7.470 0.252 -17.444 1.00 25.14 O ATOM 440 CB THR A 28 -9.092 0.721 -14.931 1.00 15.33 C ATOM 441 OG1 THR A 28 -9.222 1.464 -13.707 1.00 41.13 O ATOM 442 CG2 THR A 28 -10.028 -0.481 -14.872 1.00 1.41 C ATOM 0 H THR A 28 -6.885 2.120 -15.546 1.00 10.33 H new ATOM 0 HA THR A 28 -7.449 -0.471 -14.263 1.00 11.14 H new ATOM 0 HB THR A 28 -9.355 1.329 -15.797 1.00 15.33 H new ATOM 0 HG1 THR A 28 -10.147 1.771 -13.607 1.00 41.13 H new ATOM 0 HG21 THR A 28 -11.059 -0.136 -14.788 1.00 1.41 H new ATOM 0 HG22 THR A 28 -9.917 -1.074 -15.780 1.00 1.41 H new ATOM 0 HG23 THR A 28 -9.779 -1.094 -14.006 1.00 1.41 H new ATOM 450 N ILE A 29 -7.027 -1.636 -16.359 1.00 43.34 N ATOM 451 CA ILE A 29 -6.760 -2.387 -17.535 1.00 25.10 C ATOM 452 C ILE A 29 -7.963 -3.240 -17.807 1.00 52.50 C ATOM 453 O ILE A 29 -8.468 -3.913 -16.916 1.00 71.41 O ATOM 454 CB ILE A 29 -5.532 -3.322 -17.353 1.00 44.35 C ATOM 455 CG1 ILE A 29 -4.265 -2.532 -17.016 1.00 40.42 C ATOM 456 CG2 ILE A 29 -5.316 -4.151 -18.611 1.00 2.43 C ATOM 457 CD1 ILE A 29 -3.095 -3.377 -16.587 1.00 4.11 C ATOM 0 H ILE A 29 -6.923 -2.167 -15.494 1.00 43.34 H new ATOM 0 HA ILE A 29 -6.546 -1.699 -18.353 1.00 25.10 H new ATOM 0 HB ILE A 29 -5.740 -3.986 -16.514 1.00 44.35 H new ATOM 0 HG12 ILE A 29 -3.974 -1.948 -17.889 1.00 40.42 H new ATOM 0 HG13 ILE A 29 -4.495 -1.823 -16.221 1.00 40.42 H new ATOM 0 HG21 ILE A 29 -4.453 -4.803 -18.474 1.00 2.43 H new ATOM 0 HG22 ILE A 29 -6.201 -4.757 -18.804 1.00 2.43 H new ATOM 0 HG23 ILE A 29 -5.138 -3.488 -19.458 1.00 2.43 H new ATOM 0 HD11 ILE A 29 -2.242 -2.734 -16.369 1.00 4.11 H new ATOM 0 HD12 ILE A 29 -3.362 -3.941 -15.694 1.00 4.11 H new ATOM 0 HD13 ILE A 29 -2.832 -4.068 -17.388 1.00 4.11 H new ATOM 469 N THR A 30 -8.423 -3.161 -18.994 1.00 55.14 N ATOM 470 CA THR A 30 -9.521 -3.942 -19.475 1.00 43.20 C ATOM 471 C THR A 30 -9.155 -4.501 -20.843 1.00 52.20 C ATOM 472 O THR A 30 -9.250 -3.794 -21.854 1.00 54.11 O ATOM 473 CB THR A 30 -10.851 -3.127 -19.525 1.00 51.35 C ATOM 474 OG1 THR A 30 -10.662 -1.899 -20.259 1.00 71.30 O ATOM 475 CG2 THR A 30 -11.356 -2.801 -18.123 1.00 44.42 C ATOM 0 H THR A 30 -8.038 -2.528 -19.695 1.00 55.14 H new ATOM 0 HA THR A 30 -9.703 -4.762 -18.780 1.00 43.20 H new ATOM 0 HB THR A 30 -11.594 -3.745 -20.029 1.00 51.35 H new ATOM 0 HG1 THR A 30 -10.109 -2.072 -21.049 1.00 71.30 H new ATOM 0 HG21 THR A 30 -12.284 -2.233 -18.193 1.00 44.42 H new ATOM 0 HG22 THR A 30 -11.538 -3.727 -17.577 1.00 44.42 H new ATOM 0 HG23 THR A 30 -10.608 -2.210 -17.595 1.00 44.42 H new ATOM 483 N GLU A 31 -8.667 -5.725 -20.888 1.00 22.35 N ATOM 484 CA GLU A 31 -8.222 -6.267 -22.156 1.00 73.10 C ATOM 485 C GLU A 31 -8.549 -7.746 -22.344 1.00 31.22 C ATOM 486 O GLU A 31 -8.214 -8.576 -21.513 1.00 53.21 O ATOM 487 CB GLU A 31 -6.735 -5.884 -22.430 1.00 35.14 C ATOM 488 CG GLU A 31 -5.652 -6.352 -21.439 1.00 23.02 C ATOM 489 CD GLU A 31 -5.320 -7.807 -21.526 1.00 40.42 C ATOM 490 OE1 GLU A 31 -5.071 -8.282 -22.646 1.00 55.02 O ATOM 491 OE2 GLU A 31 -5.181 -8.477 -20.484 1.00 30.43 O ATOM 0 H GLU A 31 -8.570 -6.348 -20.086 1.00 22.35 H new ATOM 0 HA GLU A 31 -8.810 -5.791 -22.941 1.00 73.10 H new ATOM 0 HB2 GLU A 31 -6.471 -6.271 -23.414 1.00 35.14 H new ATOM 0 HB3 GLU A 31 -6.680 -4.797 -22.490 1.00 35.14 H new ATOM 0 HG2 GLU A 31 -4.744 -5.774 -21.613 1.00 23.02 H new ATOM 0 HG3 GLU A 31 -5.984 -6.128 -20.425 1.00 23.02 H new ATOM 498 N GLY A 32 -9.252 -8.050 -23.439 1.00 25.51 N ATOM 499 CA GLY A 32 -9.654 -9.419 -23.745 1.00 13.12 C ATOM 500 C GLY A 32 -10.516 -10.012 -22.645 1.00 72.34 C ATOM 501 O GLY A 32 -10.408 -11.215 -22.340 1.00 73.10 O ATOM 0 H GLY A 32 -9.554 -7.361 -24.128 1.00 25.51 H new ATOM 0 HA2 GLY A 32 -10.204 -9.435 -24.686 1.00 13.12 H new ATOM 0 HA3 GLY A 32 -8.766 -10.036 -23.884 1.00 13.12 H new ATOM 505 N SER A 33 -11.379 -9.169 -22.076 1.00 74.41 N ATOM 506 CA SER A 33 -12.199 -9.503 -20.923 1.00 20.51 C ATOM 507 C SER A 33 -11.325 -9.791 -19.705 1.00 55.03 C ATOM 508 O SER A 33 -11.057 -10.940 -19.349 1.00 20.14 O ATOM 509 CB SER A 33 -13.214 -10.620 -21.207 1.00 34.42 C ATOM 510 OG SER A 33 -14.103 -10.236 -22.258 1.00 55.40 O ATOM 0 H SER A 33 -11.526 -8.218 -22.414 1.00 74.41 H new ATOM 0 HA SER A 33 -12.806 -8.627 -20.693 1.00 20.51 H new ATOM 0 HB2 SER A 33 -12.689 -11.534 -21.483 1.00 34.42 H new ATOM 0 HB3 SER A 33 -13.783 -10.840 -20.304 1.00 34.42 H new ATOM 0 HG SER A 33 -14.742 -10.960 -22.427 1.00 55.40 H new ATOM 516 N LEU A 34 -10.824 -8.721 -19.143 1.00 62.44 N ATOM 517 CA LEU A 34 -9.930 -8.733 -18.021 1.00 21.24 C ATOM 518 C LEU A 34 -9.953 -7.363 -17.373 1.00 53.42 C ATOM 519 O LEU A 34 -9.772 -6.382 -18.051 1.00 63.34 O ATOM 520 CB LEU A 34 -8.513 -9.188 -18.510 1.00 32.25 C ATOM 521 CG LEU A 34 -7.288 -9.104 -17.570 1.00 61.54 C ATOM 522 CD1 LEU A 34 -6.789 -7.661 -17.436 1.00 53.41 C ATOM 523 CD2 LEU A 34 -7.604 -9.719 -16.199 1.00 22.43 C ATOM 0 H LEU A 34 -11.039 -7.779 -19.471 1.00 62.44 H new ATOM 0 HA LEU A 34 -10.236 -9.447 -17.256 1.00 21.24 H new ATOM 0 HB2 LEU A 34 -8.602 -10.227 -18.829 1.00 32.25 H new ATOM 0 HB3 LEU A 34 -8.277 -8.601 -19.398 1.00 32.25 H new ATOM 0 HG LEU A 34 -6.482 -9.687 -18.016 1.00 61.54 H new ATOM 0 HD11 LEU A 34 -5.927 -7.634 -16.769 1.00 53.41 H new ATOM 0 HD12 LEU A 34 -6.500 -7.283 -18.417 1.00 53.41 H new ATOM 0 HD13 LEU A 34 -7.584 -7.038 -17.027 1.00 53.41 H new ATOM 0 HD21 LEU A 34 -6.726 -9.647 -15.557 1.00 22.43 H new ATOM 0 HD22 LEU A 34 -8.434 -9.180 -15.741 1.00 22.43 H new ATOM 0 HD23 LEU A 34 -7.877 -10.767 -16.324 1.00 22.43 H new ATOM 535 N ARG A 35 -10.225 -7.306 -16.088 1.00 55.45 N ATOM 536 CA ARG A 35 -10.264 -6.084 -15.367 1.00 43.24 C ATOM 537 C ARG A 35 -9.137 -6.041 -14.346 1.00 42.43 C ATOM 538 O ARG A 35 -9.058 -6.897 -13.481 1.00 2.00 O ATOM 539 CB ARG A 35 -11.576 -5.988 -14.614 1.00 44.11 C ATOM 540 CG ARG A 35 -11.779 -4.645 -14.024 1.00 44.31 C ATOM 541 CD ARG A 35 -13.141 -4.499 -13.386 1.00 55.34 C ATOM 542 NE ARG A 35 -13.293 -3.212 -12.698 1.00 25.53 N ATOM 543 CZ ARG A 35 -14.235 -2.300 -12.949 1.00 50.22 C ATOM 544 NH1 ARG A 35 -15.064 -2.444 -13.987 1.00 34.01 N ATOM 545 NH2 ARG A 35 -14.319 -1.224 -12.181 1.00 65.45 N ATOM 0 H ARG A 35 -10.426 -8.128 -15.519 1.00 55.45 H new ATOM 0 HA ARG A 35 -10.160 -5.260 -16.073 1.00 43.24 H new ATOM 0 HB2 ARG A 35 -12.400 -6.215 -15.290 1.00 44.11 H new ATOM 0 HB3 ARG A 35 -11.596 -6.738 -13.824 1.00 44.11 H new ATOM 0 HG2 ARG A 35 -11.008 -4.459 -13.276 1.00 44.31 H new ATOM 0 HG3 ARG A 35 -11.660 -3.888 -14.799 1.00 44.31 H new ATOM 0 HD2 ARG A 35 -13.911 -4.594 -14.151 1.00 55.34 H new ATOM 0 HD3 ARG A 35 -13.297 -5.310 -12.675 1.00 55.34 H new ATOM 0 HE ARG A 35 -12.620 -2.995 -11.963 1.00 25.53 H new ATOM 0 HH11 ARG A 35 -14.981 -3.257 -14.597 1.00 34.01 H new ATOM 0 HH12 ARG A 35 -15.780 -1.741 -14.169 1.00 34.01 H new ATOM 0 HH21 ARG A 35 -13.668 -1.098 -11.406 1.00 65.45 H new ATOM 0 HH22 ARG A 35 -15.035 -0.521 -12.364 1.00 65.45 H new ATOM 559 N CYS A 36 -8.291 -5.071 -14.447 1.00 73.33 N ATOM 560 CA CYS A 36 -7.222 -4.873 -13.482 1.00 35.35 C ATOM 561 C CYS A 36 -7.119 -3.419 -13.069 1.00 42.42 C ATOM 562 O CYS A 36 -7.109 -2.545 -13.905 1.00 41.02 O ATOM 563 CB CYS A 36 -5.890 -5.356 -14.047 1.00 20.32 C ATOM 564 SG CYS A 36 -5.717 -7.163 -14.155 1.00 34.43 S ATOM 0 H CYS A 36 -8.308 -4.382 -15.199 1.00 73.33 H new ATOM 0 HA CYS A 36 -7.461 -5.462 -12.597 1.00 35.35 H new ATOM 0 HB2 CYS A 36 -5.759 -4.933 -15.043 1.00 20.32 H new ATOM 0 HB3 CYS A 36 -5.085 -4.965 -13.426 1.00 20.32 H new ATOM 569 N VAL A 37 -7.062 -3.170 -11.788 1.00 55.32 N ATOM 570 CA VAL A 37 -6.896 -1.817 -11.269 1.00 2.34 C ATOM 571 C VAL A 37 -5.580 -1.754 -10.528 1.00 63.31 C ATOM 572 O VAL A 37 -5.309 -2.603 -9.675 1.00 34.10 O ATOM 573 CB VAL A 37 -8.040 -1.401 -10.308 1.00 64.54 C ATOM 574 CG1 VAL A 37 -7.905 0.056 -9.894 1.00 53.42 C ATOM 575 CG2 VAL A 37 -9.395 -1.661 -10.930 1.00 25.32 C ATOM 0 H VAL A 37 -7.128 -3.889 -11.068 1.00 55.32 H new ATOM 0 HA VAL A 37 -6.917 -1.126 -12.112 1.00 2.34 H new ATOM 0 HB VAL A 37 -7.958 -2.014 -9.411 1.00 64.54 H new ATOM 0 HG11 VAL A 37 -8.720 0.320 -9.220 1.00 53.42 H new ATOM 0 HG12 VAL A 37 -6.952 0.203 -9.385 1.00 53.42 H new ATOM 0 HG13 VAL A 37 -7.946 0.691 -10.779 1.00 53.42 H new ATOM 0 HG21 VAL A 37 -10.178 -1.360 -10.234 1.00 25.32 H new ATOM 0 HG22 VAL A 37 -9.488 -1.087 -11.852 1.00 25.32 H new ATOM 0 HG23 VAL A 37 -9.496 -2.723 -11.152 1.00 25.32 H new ATOM 585 N ILE A 38 -4.778 -0.771 -10.845 1.00 24.11 N ATOM 586 CA ILE A 38 -3.448 -0.658 -10.291 1.00 12.11 C ATOM 587 C ILE A 38 -3.305 0.595 -9.451 1.00 34.14 C ATOM 588 O ILE A 38 -3.468 1.699 -9.949 1.00 32.14 O ATOM 589 CB ILE A 38 -2.407 -0.587 -11.422 1.00 15.12 C ATOM 590 CG1 ILE A 38 -2.557 -1.783 -12.348 1.00 33.43 C ATOM 591 CG2 ILE A 38 -0.983 -0.527 -10.850 1.00 23.04 C ATOM 592 CD1 ILE A 38 -1.653 -1.736 -13.530 1.00 32.00 C ATOM 0 H ILE A 38 -5.026 -0.024 -11.494 1.00 24.11 H new ATOM 0 HA ILE A 38 -3.283 -1.537 -9.668 1.00 12.11 H new ATOM 0 HB ILE A 38 -2.582 0.324 -11.994 1.00 15.12 H new ATOM 0 HG12 ILE A 38 -2.359 -2.695 -11.785 1.00 33.43 H new ATOM 0 HG13 ILE A 38 -3.590 -1.839 -12.692 1.00 33.43 H new ATOM 0 HG21 ILE A 38 -0.264 -0.477 -11.668 1.00 23.04 H new ATOM 0 HG22 ILE A 38 -0.880 0.358 -10.222 1.00 23.04 H new ATOM 0 HG23 ILE A 38 -0.793 -1.419 -10.253 1.00 23.04 H new ATOM 0 HD11 ILE A 38 -1.814 -2.620 -14.147 1.00 32.00 H new ATOM 0 HD12 ILE A 38 -1.866 -0.842 -14.116 1.00 32.00 H new ATOM 0 HD13 ILE A 38 -0.616 -1.712 -13.194 1.00 32.00 H new ATOM 604 N PHE A 39 -3.004 0.397 -8.204 1.00 1.55 N ATOM 605 CA PHE A 39 -2.724 1.445 -7.265 1.00 12.33 C ATOM 606 C PHE A 39 -1.236 1.628 -7.161 1.00 53.33 C ATOM 607 O PHE A 39 -0.542 0.769 -6.597 1.00 62.50 O ATOM 608 CB PHE A 39 -3.252 1.083 -5.882 1.00 44.32 C ATOM 609 CG PHE A 39 -4.718 1.188 -5.725 1.00 50.10 C ATOM 610 CD1 PHE A 39 -5.568 0.198 -6.194 1.00 15.14 C ATOM 611 CD2 PHE A 39 -5.251 2.297 -5.105 1.00 35.24 C ATOM 612 CE1 PHE A 39 -6.937 0.323 -6.041 1.00 4.44 C ATOM 613 CE2 PHE A 39 -6.601 2.438 -4.944 1.00 23.42 C ATOM 614 CZ PHE A 39 -7.460 1.450 -5.412 1.00 11.32 C ATOM 0 H PHE A 39 -2.944 -0.535 -7.795 1.00 1.55 H new ATOM 0 HA PHE A 39 -3.208 2.358 -7.613 1.00 12.33 H new ATOM 0 HB2 PHE A 39 -2.949 0.062 -5.650 1.00 44.32 H new ATOM 0 HB3 PHE A 39 -2.776 1.732 -5.147 1.00 44.32 H new ATOM 0 HD1 PHE A 39 -5.159 -0.675 -6.681 1.00 15.14 H new ATOM 0 HD2 PHE A 39 -4.590 3.069 -4.740 1.00 35.24 H new ATOM 0 HE1 PHE A 39 -7.597 -0.449 -6.407 1.00 4.44 H new ATOM 0 HE2 PHE A 39 -6.999 3.314 -4.455 1.00 23.42 H new ATOM 0 HZ PHE A 39 -8.528 1.556 -5.288 1.00 11.32 H new ATOM 624 N ILE A 40 -0.719 2.695 -7.712 1.00 73.44 N ATOM 625 CA ILE A 40 0.701 2.916 -7.599 1.00 74.24 C ATOM 626 C ILE A 40 0.894 3.915 -6.503 1.00 31.12 C ATOM 627 O ILE A 40 0.425 5.064 -6.624 1.00 73.21 O ATOM 628 CB ILE A 40 1.301 3.553 -8.865 1.00 21.42 C ATOM 629 CG1 ILE A 40 0.546 3.118 -10.114 1.00 44.32 C ATOM 630 CG2 ILE A 40 2.787 3.228 -8.971 1.00 64.44 C ATOM 631 CD1 ILE A 40 1.143 3.601 -11.421 1.00 40.43 C ATOM 0 H ILE A 40 -1.239 3.405 -8.228 1.00 73.44 H new ATOM 0 HA ILE A 40 1.184 1.954 -7.425 1.00 74.24 H new ATOM 0 HB ILE A 40 1.196 4.635 -8.786 1.00 21.42 H new ATOM 0 HG12 ILE A 40 0.500 2.029 -10.133 1.00 44.32 H new ATOM 0 HG13 ILE A 40 -0.480 3.479 -10.045 1.00 44.32 H new ATOM 0 HG21 ILE A 40 3.196 3.686 -9.872 1.00 64.44 H new ATOM 0 HG22 ILE A 40 3.308 3.618 -8.097 1.00 64.44 H new ATOM 0 HG23 ILE A 40 2.920 2.147 -9.021 1.00 64.44 H new ATOM 0 HD11 ILE A 40 0.537 3.241 -12.253 1.00 40.43 H new ATOM 0 HD12 ILE A 40 1.163 4.691 -11.431 1.00 40.43 H new ATOM 0 HD13 ILE A 40 2.159 3.219 -11.520 1.00 40.43 H new ATOM 643 N THR A 41 1.556 3.531 -5.461 1.00 2.51 N ATOM 644 CA THR A 41 1.796 4.443 -4.397 1.00 63.21 C ATOM 645 C THR A 41 3.270 4.772 -4.381 1.00 65.40 C ATOM 646 O THR A 41 4.027 4.229 -5.184 1.00 44.51 O ATOM 647 CB THR A 41 1.343 3.892 -3.014 1.00 32.43 C ATOM 648 OG1 THR A 41 2.131 2.762 -2.647 1.00 75.55 O ATOM 649 CG2 THR A 41 -0.121 3.474 -3.041 1.00 32.41 C ATOM 0 H THR A 41 1.938 2.595 -5.326 1.00 2.51 H new ATOM 0 HA THR A 41 1.201 5.340 -4.571 1.00 63.21 H new ATOM 0 HB THR A 41 1.475 4.692 -2.286 1.00 32.43 H new ATOM 0 HG1 THR A 41 1.952 2.024 -3.266 1.00 75.55 H new ATOM 0 HG21 THR A 41 -0.409 3.093 -2.061 1.00 32.41 H new ATOM 0 HG22 THR A 41 -0.741 4.335 -3.292 1.00 32.41 H new ATOM 0 HG23 THR A 41 -0.263 2.694 -3.789 1.00 32.41 H new ATOM 657 N LYS A 42 3.685 5.635 -3.493 1.00 73.22 N ATOM 658 CA LYS A 42 5.093 6.007 -3.437 1.00 32.04 C ATOM 659 C LYS A 42 5.988 5.020 -2.664 1.00 52.44 C ATOM 660 O LYS A 42 7.180 5.266 -2.484 1.00 2.11 O ATOM 661 CB LYS A 42 5.316 7.502 -3.067 1.00 44.43 C ATOM 662 CG LYS A 42 4.539 8.055 -1.870 1.00 43.34 C ATOM 663 CD LYS A 42 4.921 7.425 -0.550 1.00 2.22 C ATOM 664 CE LYS A 42 4.163 8.098 0.585 1.00 73.13 C ATOM 665 NZ LYS A 42 4.477 7.520 1.902 1.00 75.45 N ATOM 0 H LYS A 42 3.088 6.093 -2.804 1.00 73.22 H new ATOM 0 HA LYS A 42 5.447 5.912 -4.464 1.00 32.04 H new ATOM 0 HB2 LYS A 42 6.379 7.646 -2.874 1.00 44.43 H new ATOM 0 HB3 LYS A 42 5.065 8.106 -3.939 1.00 44.43 H new ATOM 0 HG2 LYS A 42 4.702 9.131 -1.809 1.00 43.34 H new ATOM 0 HG3 LYS A 42 3.473 7.903 -2.039 1.00 43.34 H new ATOM 0 HD2 LYS A 42 4.695 6.359 -0.567 1.00 2.22 H new ATOM 0 HD3 LYS A 42 5.995 7.521 -0.389 1.00 2.22 H new ATOM 0 HE2 LYS A 42 4.401 9.162 0.594 1.00 73.13 H new ATOM 0 HE3 LYS A 42 3.092 8.012 0.402 1.00 73.13 H new ATOM 0 HZ1 LYS A 42 3.934 8.016 2.637 1.00 75.45 H new ATOM 0 HZ2 LYS A 42 4.226 6.511 1.907 1.00 75.45 H new ATOM 0 HZ3 LYS A 42 5.494 7.625 2.094 1.00 75.45 H new ATOM 679 N ARG A 43 5.415 3.900 -2.222 1.00 55.30 N ATOM 680 CA ARG A 43 6.206 2.842 -1.572 1.00 12.52 C ATOM 681 C ARG A 43 5.773 1.432 -1.994 1.00 32.33 C ATOM 682 O ARG A 43 6.499 0.472 -1.784 1.00 41.33 O ATOM 683 CB ARG A 43 6.216 2.947 -0.033 1.00 33.15 C ATOM 684 CG ARG A 43 6.900 4.184 0.528 1.00 31.30 C ATOM 685 CD ARG A 43 6.941 4.136 2.040 1.00 71.31 C ATOM 686 NE ARG A 43 7.609 5.307 2.625 1.00 3.05 N ATOM 687 CZ ARG A 43 8.028 5.389 3.896 1.00 75.12 C ATOM 688 NH1 ARG A 43 7.911 4.347 4.708 1.00 33.23 N ATOM 689 NH2 ARG A 43 8.572 6.512 4.345 1.00 53.45 N ATOM 0 H ARG A 43 4.418 3.698 -2.298 1.00 55.30 H new ATOM 0 HA ARG A 43 7.224 3.008 -1.924 1.00 12.52 H new ATOM 0 HB2 ARG A 43 5.186 2.928 0.323 1.00 33.15 H new ATOM 0 HB3 ARG A 43 6.709 2.064 0.372 1.00 33.15 H new ATOM 0 HG2 ARG A 43 7.914 4.255 0.134 1.00 31.30 H new ATOM 0 HG3 ARG A 43 6.369 5.078 0.202 1.00 31.30 H new ATOM 0 HD2 ARG A 43 5.923 4.073 2.425 1.00 71.31 H new ATOM 0 HD3 ARG A 43 7.459 3.231 2.357 1.00 71.31 H new ATOM 0 HE ARG A 43 7.765 6.114 2.022 1.00 3.05 H new ATOM 0 HH11 ARG A 43 7.501 3.478 4.366 1.00 33.23 H new ATOM 0 HH12 ARG A 43 8.231 4.415 5.674 1.00 33.23 H new ATOM 0 HH21 ARG A 43 8.672 7.314 3.723 1.00 53.45 H new ATOM 0 HH22 ARG A 43 8.890 6.573 5.312 1.00 53.45 H new ATOM 703 N GLY A 44 4.610 1.298 -2.587 1.00 42.34 N ATOM 704 CA GLY A 44 4.156 -0.022 -2.960 1.00 11.33 C ATOM 705 C GLY A 44 3.194 -0.008 -4.116 1.00 42.34 C ATOM 706 O GLY A 44 2.659 1.043 -4.484 1.00 43.14 O ATOM 0 H GLY A 44 3.976 2.063 -2.817 1.00 42.34 H new ATOM 0 HA2 GLY A 44 5.018 -0.637 -3.219 1.00 11.33 H new ATOM 0 HA3 GLY A 44 3.676 -0.491 -2.101 1.00 11.33 H new ATOM 710 N LEU A 45 2.968 -1.152 -4.689 1.00 31.10 N ATOM 711 CA LEU A 45 2.047 -1.270 -5.792 1.00 23.41 C ATOM 712 C LEU A 45 1.021 -2.342 -5.541 1.00 50.02 C ATOM 713 O LEU A 45 1.341 -3.464 -5.138 1.00 2.43 O ATOM 714 CB LEU A 45 2.720 -1.476 -7.168 1.00 15.13 C ATOM 715 CG LEU A 45 3.553 -0.311 -7.739 1.00 53.11 C ATOM 716 CD1 LEU A 45 4.876 -0.124 -7.025 1.00 34.15 C ATOM 717 CD2 LEU A 45 3.749 -0.473 -9.223 1.00 3.53 C ATOM 0 H LEU A 45 3.411 -2.028 -4.411 1.00 31.10 H new ATOM 0 HA LEU A 45 1.549 -0.302 -5.845 1.00 23.41 H new ATOM 0 HB2 LEU A 45 3.369 -2.349 -7.097 1.00 15.13 H new ATOM 0 HB3 LEU A 45 1.940 -1.716 -7.890 1.00 15.13 H new ATOM 0 HG LEU A 45 2.982 0.601 -7.562 1.00 53.11 H new ATOM 0 HD11 LEU A 45 5.416 0.710 -7.472 1.00 34.15 H new ATOM 0 HD12 LEU A 45 4.694 0.085 -5.971 1.00 34.15 H new ATOM 0 HD13 LEU A 45 5.471 -1.033 -7.117 1.00 34.15 H new ATOM 0 HD21 LEU A 45 4.339 0.360 -9.605 1.00 3.53 H new ATOM 0 HD22 LEU A 45 4.271 -1.409 -9.421 1.00 3.53 H new ATOM 0 HD23 LEU A 45 2.778 -0.487 -9.719 1.00 3.53 H new ATOM 729 N LYS A 46 -0.189 -1.989 -5.772 1.00 31.23 N ATOM 730 CA LYS A 46 -1.313 -2.845 -5.573 1.00 25.33 C ATOM 731 C LYS A 46 -2.076 -3.025 -6.861 1.00 5.42 C ATOM 732 O LYS A 46 -2.405 -2.065 -7.522 1.00 62.21 O ATOM 733 CB LYS A 46 -2.220 -2.227 -4.506 1.00 65.31 C ATOM 734 CG LYS A 46 -3.649 -2.723 -4.530 1.00 15.10 C ATOM 735 CD LYS A 46 -4.485 -1.973 -3.543 1.00 11.24 C ATOM 736 CE LYS A 46 -5.946 -2.272 -3.743 1.00 55.33 C ATOM 737 NZ LYS A 46 -6.788 -1.634 -2.716 1.00 31.22 N ATOM 0 H LYS A 46 -0.440 -1.063 -6.118 1.00 31.23 H new ATOM 0 HA LYS A 46 -0.968 -3.825 -5.244 1.00 25.33 H new ATOM 0 HB2 LYS A 46 -1.795 -2.432 -3.523 1.00 65.31 H new ATOM 0 HB3 LYS A 46 -2.223 -1.144 -4.633 1.00 65.31 H new ATOM 0 HG2 LYS A 46 -4.064 -2.603 -5.531 1.00 15.10 H new ATOM 0 HG3 LYS A 46 -3.673 -3.788 -4.300 1.00 15.10 H new ATOM 0 HD2 LYS A 46 -4.189 -2.244 -2.529 1.00 11.24 H new ATOM 0 HD3 LYS A 46 -4.310 -0.903 -3.651 1.00 11.24 H new ATOM 0 HE2 LYS A 46 -6.254 -1.927 -4.730 1.00 55.33 H new ATOM 0 HE3 LYS A 46 -6.101 -3.351 -3.720 1.00 55.33 H new ATOM 0 HZ1 LYS A 46 -7.786 -1.866 -2.892 1.00 31.22 H new ATOM 0 HZ2 LYS A 46 -6.512 -1.982 -1.776 1.00 31.22 H new ATOM 0 HZ3 LYS A 46 -6.661 -0.603 -2.754 1.00 31.22 H new ATOM 751 N VAL A 47 -2.346 -4.232 -7.211 1.00 61.33 N ATOM 752 CA VAL A 47 -3.159 -4.494 -8.383 1.00 20.35 C ATOM 753 C VAL A 47 -4.302 -5.454 -8.049 1.00 12.42 C ATOM 754 O VAL A 47 -4.118 -6.465 -7.369 1.00 0.43 O ATOM 755 CB VAL A 47 -2.338 -4.994 -9.615 1.00 20.42 C ATOM 756 CG1 VAL A 47 -1.659 -6.318 -9.338 1.00 11.25 C ATOM 757 CG2 VAL A 47 -3.219 -5.086 -10.850 1.00 50.44 C ATOM 0 H VAL A 47 -2.025 -5.064 -6.715 1.00 61.33 H new ATOM 0 HA VAL A 47 -3.583 -3.535 -8.681 1.00 20.35 H new ATOM 0 HB VAL A 47 -1.555 -4.260 -9.804 1.00 20.42 H new ATOM 0 HG11 VAL A 47 -1.099 -6.631 -10.219 1.00 11.25 H new ATOM 0 HG12 VAL A 47 -0.977 -6.208 -8.495 1.00 11.25 H new ATOM 0 HG13 VAL A 47 -2.411 -7.070 -9.100 1.00 11.25 H new ATOM 0 HG21 VAL A 47 -2.626 -5.436 -11.695 1.00 50.44 H new ATOM 0 HG22 VAL A 47 -4.034 -5.785 -10.664 1.00 50.44 H new ATOM 0 HG23 VAL A 47 -3.630 -4.102 -11.078 1.00 50.44 H new ATOM 767 N CYS A 48 -5.473 -5.127 -8.485 1.00 0.51 N ATOM 768 CA CYS A 48 -6.612 -5.947 -8.214 1.00 43.44 C ATOM 769 C CYS A 48 -7.217 -6.382 -9.543 1.00 43.14 C ATOM 770 O CYS A 48 -7.581 -5.534 -10.367 1.00 12.35 O ATOM 771 CB CYS A 48 -7.615 -5.160 -7.386 1.00 31.42 C ATOM 772 SG CYS A 48 -8.897 -6.179 -6.619 1.00 5.24 S ATOM 0 H CYS A 48 -5.669 -4.291 -9.035 1.00 0.51 H new ATOM 0 HA CYS A 48 -6.326 -6.832 -7.646 1.00 43.44 H new ATOM 0 HB2 CYS A 48 -7.081 -4.618 -6.606 1.00 31.42 H new ATOM 0 HB3 CYS A 48 -8.091 -4.414 -8.023 1.00 31.42 H new ATOM 777 N CYS A 49 -7.317 -7.685 -9.761 1.00 3.12 N ATOM 778 CA CYS A 49 -7.751 -8.195 -11.053 1.00 72.03 C ATOM 779 C CYS A 49 -8.921 -9.160 -10.987 1.00 72.40 C ATOM 780 O CYS A 49 -9.026 -10.000 -10.080 1.00 64.33 O ATOM 781 CB CYS A 49 -6.590 -8.849 -11.803 1.00 70.24 C ATOM 782 SG CYS A 49 -5.252 -7.711 -12.252 1.00 2.41 S ATOM 0 H CYS A 49 -7.106 -8.402 -9.067 1.00 3.12 H new ATOM 0 HA CYS A 49 -8.104 -7.318 -11.595 1.00 72.03 H new ATOM 0 HB2 CYS A 49 -6.179 -9.648 -11.186 1.00 70.24 H new ATOM 0 HB3 CYS A 49 -6.975 -9.313 -12.711 1.00 70.24 H new ATOM 787 N ASP A 50 -9.785 -9.012 -11.965 1.00 33.32 N ATOM 788 CA ASP A 50 -10.925 -9.867 -12.217 1.00 71.04 C ATOM 789 C ASP A 50 -10.995 -10.033 -13.710 1.00 41.31 C ATOM 790 O ASP A 50 -11.061 -9.061 -14.390 1.00 43.51 O ATOM 791 CB ASP A 50 -12.227 -9.187 -11.796 1.00 11.10 C ATOM 792 CG ASP A 50 -13.447 -10.099 -11.973 1.00 30.20 C ATOM 793 OD1 ASP A 50 -13.707 -10.924 -11.095 1.00 75.42 O ATOM 794 OD2 ASP A 50 -14.148 -9.995 -12.997 1.00 2.42 O ATOM 0 H ASP A 50 -9.708 -8.253 -12.642 1.00 33.32 H new ATOM 0 HA ASP A 50 -10.813 -10.802 -11.668 1.00 71.04 H new ATOM 0 HB2 ASP A 50 -12.153 -8.882 -10.752 1.00 11.10 H new ATOM 0 HB3 ASP A 50 -12.367 -8.280 -12.384 1.00 11.10 H new ATOM 799 N PRO A 51 -10.968 -11.231 -14.251 1.00 51.45 N ATOM 800 CA PRO A 51 -11.073 -11.463 -15.719 1.00 2.41 C ATOM 801 C PRO A 51 -12.477 -11.116 -16.301 1.00 65.05 C ATOM 802 O PRO A 51 -12.922 -11.742 -17.268 1.00 74.54 O ATOM 803 CB PRO A 51 -10.832 -12.974 -15.837 1.00 12.45 C ATOM 804 CG PRO A 51 -10.178 -13.341 -14.566 1.00 72.43 C ATOM 805 CD PRO A 51 -10.807 -12.469 -13.536 1.00 64.23 C ATOM 0 HA PRO A 51 -10.376 -10.835 -16.273 1.00 2.41 H new ATOM 0 HB2 PRO A 51 -11.768 -13.516 -15.974 1.00 12.45 H new ATOM 0 HB3 PRO A 51 -10.199 -13.210 -16.692 1.00 12.45 H new ATOM 0 HG2 PRO A 51 -10.330 -14.395 -14.335 1.00 72.43 H new ATOM 0 HG3 PRO A 51 -9.101 -13.178 -14.616 1.00 72.43 H new ATOM 0 HD2 PRO A 51 -11.761 -12.868 -13.191 1.00 64.23 H new ATOM 0 HD3 PRO A 51 -10.173 -12.353 -12.657 1.00 64.23 H new ATOM 1207 N THR B 210 14.340 -3.087 -10.329 1.00 73.10 N ATOM 1208 CA THR B 210 13.372 -3.010 -9.277 1.00 63.52 C ATOM 1209 C THR B 210 11.980 -3.297 -9.841 1.00 62.03 C ATOM 1210 O THR B 210 11.254 -2.394 -10.253 1.00 0.45 O ATOM 1211 CB THR B 210 13.395 -1.624 -8.595 1.00 31.33 C ATOM 1212 OG1 THR B 210 14.741 -1.320 -8.198 1.00 10.41 O ATOM 1213 CG2 THR B 210 12.508 -1.613 -7.354 1.00 74.23 C ATOM 0 HA THR B 210 13.622 -3.757 -8.523 1.00 63.52 H new ATOM 0 HB THR B 210 13.023 -0.884 -9.303 1.00 31.33 H new ATOM 0 HG1 THR B 210 15.369 -1.733 -8.827 1.00 10.41 H new ATOM 0 HG21 THR B 210 12.541 -0.626 -6.892 1.00 74.23 H new ATOM 0 HG22 THR B 210 11.482 -1.846 -7.638 1.00 74.23 H new ATOM 0 HG23 THR B 210 12.866 -2.358 -6.644 1.00 74.23 H new ATOM 1221 N CYS B 211 11.645 -4.557 -9.910 1.00 63.43 N ATOM 1222 CA CYS B 211 10.381 -4.971 -10.434 1.00 61.24 C ATOM 1223 C CYS B 211 9.765 -5.912 -9.433 1.00 10.01 C ATOM 1224 O CYS B 211 10.486 -6.688 -8.792 1.00 60.43 O ATOM 1225 CB CYS B 211 10.580 -5.731 -11.753 1.00 54.51 C ATOM 1226 SG CYS B 211 11.663 -4.919 -13.008 1.00 5.34 S ATOM 0 H CYS B 211 12.245 -5.323 -9.603 1.00 63.43 H new ATOM 0 HA CYS B 211 9.748 -4.102 -10.614 1.00 61.24 H new ATOM 0 HB2 CYS B 211 10.998 -6.711 -11.524 1.00 54.51 H new ATOM 0 HB3 CYS B 211 9.601 -5.899 -12.203 1.00 54.51 H new ATOM 1231 N VAL B 212 8.470 -5.875 -9.287 1.00 60.32 N ATOM 1232 CA VAL B 212 7.816 -6.767 -8.368 1.00 64.14 C ATOM 1233 C VAL B 212 6.777 -7.596 -9.115 1.00 51.42 C ATOM 1234 O VAL B 212 6.228 -7.156 -10.137 1.00 23.30 O ATOM 1235 CB VAL B 212 7.183 -6.028 -7.135 1.00 32.03 C ATOM 1236 CG1 VAL B 212 8.218 -5.208 -6.373 1.00 30.31 C ATOM 1237 CG2 VAL B 212 5.985 -5.179 -7.516 1.00 2.41 C ATOM 0 H VAL B 212 7.848 -5.241 -9.789 1.00 60.32 H new ATOM 0 HA VAL B 212 8.577 -7.428 -7.952 1.00 64.14 H new ATOM 0 HB VAL B 212 6.819 -6.809 -6.467 1.00 32.03 H new ATOM 0 HG11 VAL B 212 7.740 -4.713 -5.528 1.00 30.31 H new ATOM 0 HG12 VAL B 212 9.007 -5.866 -6.009 1.00 30.31 H new ATOM 0 HG13 VAL B 212 8.648 -4.458 -7.037 1.00 30.31 H new ATOM 0 HG21 VAL B 212 5.587 -4.691 -6.626 1.00 2.41 H new ATOM 0 HG22 VAL B 212 6.290 -4.422 -8.239 1.00 2.41 H new ATOM 0 HG23 VAL B 212 5.216 -5.813 -7.957 1.00 2.41 H new ATOM 1247 N SER B 213 6.527 -8.780 -8.649 1.00 21.14 N ATOM 1248 CA SER B 213 5.602 -9.654 -9.307 1.00 23.23 C ATOM 1249 C SER B 213 4.544 -10.171 -8.344 1.00 61.33 C ATOM 1250 O SER B 213 4.854 -10.654 -7.256 1.00 31.44 O ATOM 1251 CB SER B 213 6.359 -10.801 -10.002 1.00 3.23 C ATOM 1252 OG SER B 213 7.207 -11.505 -9.092 1.00 41.03 O ATOM 0 H SER B 213 6.954 -9.168 -7.808 1.00 21.14 H new ATOM 0 HA SER B 213 5.074 -9.087 -10.073 1.00 23.23 H new ATOM 0 HB2 SER B 213 5.643 -11.495 -10.442 1.00 3.23 H new ATOM 0 HB3 SER B 213 6.957 -10.399 -10.820 1.00 3.23 H new ATOM 0 HG SER B 213 7.670 -12.226 -9.567 1.00 41.03 H new ATOM 1258 N LEU B 214 3.313 -10.083 -8.748 1.00 41.20 N ATOM 1259 CA LEU B 214 2.218 -10.508 -7.954 1.00 40.52 C ATOM 1260 C LEU B 214 1.579 -11.696 -8.598 1.00 62.55 C ATOM 1261 O LEU B 214 1.088 -11.631 -9.729 1.00 54.14 O ATOM 1262 CB LEU B 214 1.250 -9.352 -7.803 1.00 34.23 C ATOM 1263 CG LEU B 214 1.731 -8.247 -6.872 1.00 12.20 C ATOM 1264 CD1 LEU B 214 0.949 -6.969 -7.074 1.00 54.02 C ATOM 1265 CD2 LEU B 214 1.551 -8.720 -5.452 1.00 4.11 C ATOM 0 H LEU B 214 3.044 -9.706 -9.657 1.00 41.20 H new ATOM 0 HA LEU B 214 2.546 -10.807 -6.959 1.00 40.52 H new ATOM 0 HB2 LEU B 214 1.058 -8.924 -8.787 1.00 34.23 H new ATOM 0 HB3 LEU B 214 0.300 -9.736 -7.431 1.00 34.23 H new ATOM 0 HG LEU B 214 2.778 -8.034 -7.089 1.00 12.20 H new ATOM 0 HD11 LEU B 214 1.320 -6.204 -6.393 1.00 54.02 H new ATOM 0 HD12 LEU B 214 1.068 -6.628 -8.102 1.00 54.02 H new ATOM 0 HD13 LEU B 214 -0.106 -7.153 -6.873 1.00 54.02 H new ATOM 0 HD21 LEU B 214 1.889 -7.945 -4.765 1.00 4.11 H new ATOM 0 HD22 LEU B 214 0.497 -8.932 -5.270 1.00 4.11 H new ATOM 0 HD23 LEU B 214 2.136 -9.626 -5.293 1.00 4.11 H new ATOM 1277 N THR B 215 1.592 -12.773 -7.886 1.00 10.54 N ATOM 1278 CA THR B 215 1.159 -14.020 -8.401 1.00 64.35 C ATOM 1279 C THR B 215 -0.205 -14.377 -7.844 1.00 51.02 C ATOM 1280 O THR B 215 -0.517 -14.092 -6.676 1.00 3.12 O ATOM 1281 CB THR B 215 2.182 -15.109 -8.055 1.00 53.02 C ATOM 1282 OG1 THR B 215 3.485 -14.584 -8.343 1.00 44.34 O ATOM 1283 CG2 THR B 215 1.955 -16.334 -8.926 1.00 33.33 C ATOM 0 H THR B 215 1.909 -12.808 -6.917 1.00 10.54 H new ATOM 0 HA THR B 215 1.076 -13.946 -9.485 1.00 64.35 H new ATOM 0 HB THR B 215 2.085 -15.392 -7.007 1.00 53.02 H new ATOM 0 HG1 THR B 215 4.164 -15.258 -8.130 1.00 44.34 H new ATOM 0 HG21 THR B 215 2.686 -17.101 -8.672 1.00 33.33 H new ATOM 0 HG22 THR B 215 0.950 -16.720 -8.756 1.00 33.33 H new ATOM 0 HG23 THR B 215 2.065 -16.060 -9.975 1.00 33.33 H new ATOM 1291 N THR B 216 -1.004 -14.949 -8.675 1.00 71.55 N ATOM 1292 CA THR B 216 -2.317 -15.346 -8.340 1.00 21.11 C ATOM 1293 C THR B 216 -2.563 -16.670 -9.041 1.00 11.41 C ATOM 1294 O THR B 216 -1.770 -17.042 -9.921 1.00 3.15 O ATOM 1295 CB THR B 216 -3.345 -14.256 -8.785 1.00 55.31 C ATOM 1296 OG1 THR B 216 -4.679 -14.636 -8.435 1.00 13.21 O ATOM 1297 CG2 THR B 216 -3.259 -13.973 -10.288 1.00 12.55 C ATOM 0 H THR B 216 -0.747 -15.159 -9.640 1.00 71.55 H new ATOM 0 HA THR B 216 -2.438 -15.463 -7.263 1.00 21.11 H new ATOM 0 HB THR B 216 -3.088 -13.340 -8.253 1.00 55.31 H new ATOM 0 HG1 THR B 216 -5.304 -13.938 -8.722 1.00 13.21 H new ATOM 0 HG21 THR B 216 -3.989 -13.210 -10.557 1.00 12.55 H new ATOM 0 HG22 THR B 216 -2.258 -13.620 -10.535 1.00 12.55 H new ATOM 0 HG23 THR B 216 -3.468 -14.887 -10.843 1.00 12.55 H new ATOM 1305 N GLN B 217 -3.586 -17.410 -8.650 1.00 10.52 N ATOM 1306 CA GLN B 217 -3.863 -18.648 -9.335 1.00 2.32 C ATOM 1307 C GLN B 217 -4.227 -18.370 -10.788 1.00 2.53 C ATOM 1308 O GLN B 217 -4.741 -17.291 -11.113 1.00 63.21 O ATOM 1309 CB GLN B 217 -4.901 -19.515 -8.621 1.00 70.22 C ATOM 1310 CG GLN B 217 -4.467 -19.964 -7.233 1.00 51.22 C ATOM 1311 CD GLN B 217 -5.392 -21.002 -6.626 1.00 14.42 C ATOM 1312 OE1 GLN B 217 -6.007 -21.795 -7.336 1.00 64.31 O ATOM 1313 NE2 GLN B 217 -5.500 -21.009 -5.323 1.00 71.41 N ATOM 0 H GLN B 217 -4.219 -17.180 -7.884 1.00 10.52 H new ATOM 0 HA GLN B 217 -2.951 -19.244 -9.320 1.00 2.32 H new ATOM 0 HB2 GLN B 217 -5.834 -18.957 -8.538 1.00 70.22 H new ATOM 0 HB3 GLN B 217 -5.109 -20.395 -9.230 1.00 70.22 H new ATOM 0 HG2 GLN B 217 -3.458 -20.374 -7.289 1.00 51.22 H new ATOM 0 HG3 GLN B 217 -4.423 -19.096 -6.575 1.00 51.22 H new ATOM 0 HE21 GLN B 217 -4.975 -20.336 -4.764 1.00 71.41 H new ATOM 0 HE22 GLN B 217 -6.109 -21.687 -4.865 1.00 71.41 H new ATOM 1322 N ARG B 218 -3.945 -19.339 -11.628 1.00 32.42 N ATOM 1323 CA ARG B 218 -4.035 -19.234 -13.082 1.00 4.42 C ATOM 1324 C ARG B 218 -5.291 -18.535 -13.609 1.00 73.04 C ATOM 1325 O ARG B 218 -6.433 -18.964 -13.368 1.00 13.52 O ATOM 1326 CB ARG B 218 -3.877 -20.612 -13.707 1.00 73.54 C ATOM 1327 CG ARG B 218 -3.873 -20.625 -15.223 1.00 73.22 C ATOM 1328 CD ARG B 218 -3.584 -22.015 -15.739 1.00 64.01 C ATOM 1329 NE ARG B 218 -2.281 -22.504 -15.256 1.00 41.50 N ATOM 1330 CZ ARG B 218 -1.636 -23.562 -15.734 1.00 61.14 C ATOM 1331 NH1 ARG B 218 -2.164 -24.284 -16.715 1.00 73.35 N ATOM 1332 NH2 ARG B 218 -0.457 -23.899 -15.216 1.00 2.40 N ATOM 0 H ARG B 218 -3.635 -20.259 -11.315 1.00 32.42 H new ATOM 0 HA ARG B 218 -3.215 -18.582 -13.383 1.00 4.42 H new ATOM 0 HB2 ARG B 218 -2.946 -21.052 -13.351 1.00 73.54 H new ATOM 0 HB3 ARG B 218 -4.687 -21.251 -13.354 1.00 73.54 H new ATOM 0 HG2 ARG B 218 -4.838 -20.285 -15.598 1.00 73.22 H new ATOM 0 HG3 ARG B 218 -3.122 -19.929 -15.597 1.00 73.22 H new ATOM 0 HD2 ARG B 218 -4.372 -22.696 -15.418 1.00 64.01 H new ATOM 0 HD3 ARG B 218 -3.592 -22.010 -16.829 1.00 64.01 H new ATOM 0 HE ARG B 218 -1.839 -21.989 -14.494 1.00 41.50 H new ATOM 0 HH11 ARG B 218 -3.070 -24.027 -17.106 1.00 73.35 H new ATOM 0 HH12 ARG B 218 -1.663 -25.095 -17.078 1.00 73.35 H new ATOM 0 HH21 ARG B 218 -0.056 -23.346 -14.458 1.00 2.40 H new ATOM 0 HH22 ARG B 218 0.046 -24.710 -15.577 1.00 2.40 H new ATOM 1346 N LEU B 219 -5.045 -17.462 -14.322 1.00 50.14 N ATOM 1347 CA LEU B 219 -6.050 -16.683 -14.996 1.00 55.53 C ATOM 1348 C LEU B 219 -5.646 -16.598 -16.444 1.00 21.11 C ATOM 1349 O LEU B 219 -4.699 -15.890 -16.770 1.00 74.24 O ATOM 1350 CB LEU B 219 -6.128 -15.260 -14.420 1.00 43.51 C ATOM 1351 CG LEU B 219 -6.560 -15.120 -12.965 1.00 45.20 C ATOM 1352 CD1 LEU B 219 -6.507 -13.660 -12.546 1.00 3.24 C ATOM 1353 CD2 LEU B 219 -7.966 -15.669 -12.782 1.00 64.45 C ATOM 0 H LEU B 219 -4.102 -17.095 -14.452 1.00 50.14 H new ATOM 0 HA LEU B 219 -7.026 -17.153 -14.870 1.00 55.53 H new ATOM 0 HB2 LEU B 219 -5.147 -14.798 -14.527 1.00 43.51 H new ATOM 0 HB3 LEU B 219 -6.820 -14.684 -15.035 1.00 43.51 H new ATOM 0 HG LEU B 219 -5.877 -15.692 -12.336 1.00 45.20 H new ATOM 0 HD11 LEU B 219 -6.817 -13.569 -11.505 1.00 3.24 H new ATOM 0 HD12 LEU B 219 -5.489 -13.287 -12.655 1.00 3.24 H new ATOM 0 HD13 LEU B 219 -7.177 -13.076 -13.177 1.00 3.24 H new ATOM 0 HD21 LEU B 219 -8.265 -15.564 -11.739 1.00 64.45 H new ATOM 0 HD22 LEU B 219 -8.658 -15.114 -13.415 1.00 64.45 H new ATOM 0 HD23 LEU B 219 -7.984 -16.723 -13.060 1.00 64.45 H new ATOM 1365 N PRO B 220 -6.302 -17.349 -17.331 1.00 64.21 N ATOM 1366 CA PRO B 220 -5.940 -17.353 -18.742 1.00 32.30 C ATOM 1367 C PRO B 220 -6.131 -15.982 -19.377 1.00 70.03 C ATOM 1368 O PRO B 220 -7.114 -15.283 -19.097 1.00 64.51 O ATOM 1369 CB PRO B 220 -6.913 -18.363 -19.369 1.00 20.00 C ATOM 1370 CG PRO B 220 -7.434 -19.162 -18.224 1.00 71.10 C ATOM 1371 CD PRO B 220 -7.433 -18.239 -17.045 1.00 20.13 C ATOM 0 HA PRO B 220 -4.891 -17.609 -18.891 1.00 32.30 H new ATOM 0 HB2 PRO B 220 -7.721 -17.857 -19.896 1.00 20.00 H new ATOM 0 HB3 PRO B 220 -6.407 -18.999 -20.096 1.00 20.00 H new ATOM 0 HG2 PRO B 220 -8.439 -19.531 -18.430 1.00 71.10 H new ATOM 0 HG3 PRO B 220 -6.806 -20.034 -18.038 1.00 71.10 H new ATOM 0 HD2 PRO B 220 -8.370 -17.688 -16.961 1.00 20.13 H new ATOM 0 HD3 PRO B 220 -7.296 -18.779 -16.108 1.00 20.13 H new ATOM 1379 N VAL B 221 -5.204 -15.610 -20.224 1.00 34.21 N ATOM 1380 CA VAL B 221 -5.269 -14.355 -20.927 1.00 2.04 C ATOM 1381 C VAL B 221 -5.043 -14.604 -22.407 1.00 62.32 C ATOM 1382 O VAL B 221 -4.451 -15.631 -22.781 1.00 33.44 O ATOM 1383 CB VAL B 221 -4.225 -13.304 -20.396 1.00 63.40 C ATOM 1384 CG1 VAL B 221 -4.465 -12.963 -18.929 1.00 32.51 C ATOM 1385 CG2 VAL B 221 -2.790 -13.779 -20.603 1.00 52.43 C ATOM 0 H VAL B 221 -4.381 -16.171 -20.445 1.00 34.21 H new ATOM 0 HA VAL B 221 -6.258 -13.931 -20.755 1.00 2.04 H new ATOM 0 HB VAL B 221 -4.369 -12.397 -20.983 1.00 63.40 H new ATOM 0 HG11 VAL B 221 -3.724 -12.235 -18.599 1.00 32.51 H new ATOM 0 HG12 VAL B 221 -5.464 -12.543 -18.812 1.00 32.51 H new ATOM 0 HG13 VAL B 221 -4.378 -13.867 -18.326 1.00 32.51 H new ATOM 0 HG21 VAL B 221 -2.099 -13.026 -20.224 1.00 52.43 H new ATOM 0 HG22 VAL B 221 -2.636 -14.716 -20.067 1.00 52.43 H new ATOM 0 HG23 VAL B 221 -2.608 -13.935 -21.666 1.00 52.43 H new ATOM 1395 N SER B 222 -5.515 -13.703 -23.237 1.00 71.33 N ATOM 1396 CA SER B 222 -5.348 -13.810 -24.666 1.00 73.53 C ATOM 1397 C SER B 222 -3.865 -13.726 -25.032 1.00 72.21 C ATOM 1398 O SER B 222 -3.338 -14.593 -25.736 1.00 23.53 O ATOM 1399 CB SER B 222 -6.152 -12.707 -25.382 1.00 1.34 C ATOM 1400 OG SER B 222 -6.013 -12.784 -26.795 1.00 62.25 O ATOM 0 H SER B 222 -6.027 -12.873 -22.938 1.00 71.33 H new ATOM 0 HA SER B 222 -5.728 -14.777 -24.994 1.00 73.53 H new ATOM 0 HB2 SER B 222 -7.205 -12.794 -25.115 1.00 1.34 H new ATOM 0 HB3 SER B 222 -5.815 -11.730 -25.037 1.00 1.34 H new ATOM 0 HG SER B 222 -6.538 -12.070 -27.215 1.00 62.25 H new ATOM 1406 N ARG B 223 -3.187 -12.714 -24.525 1.00 65.04 N ATOM 1407 CA ARG B 223 -1.788 -12.517 -24.826 1.00 33.14 C ATOM 1408 C ARG B 223 -1.078 -11.882 -23.647 1.00 54.53 C ATOM 1409 O ARG B 223 -1.720 -11.438 -22.700 1.00 1.20 O ATOM 1410 CB ARG B 223 -1.618 -11.626 -26.063 1.00 44.34 C ATOM 1411 CG ARG B 223 -2.158 -10.211 -25.910 1.00 21.44 C ATOM 1412 CD ARG B 223 -1.868 -9.392 -27.151 1.00 32.32 C ATOM 1413 NE ARG B 223 -2.282 -7.994 -27.007 1.00 14.21 N ATOM 1414 CZ ARG B 223 -1.609 -6.951 -27.531 1.00 73.23 C ATOM 1415 NH1 ARG B 223 -0.493 -7.156 -28.241 1.00 65.41 N ATOM 1416 NH2 ARG B 223 -2.053 -5.714 -27.346 1.00 54.25 N ATOM 0 H ARG B 223 -3.588 -12.014 -23.900 1.00 65.04 H new ATOM 0 HA ARG B 223 -1.348 -13.493 -25.029 1.00 33.14 H new ATOM 0 HB2 ARG B 223 -0.558 -11.570 -26.310 1.00 44.34 H new ATOM 0 HB3 ARG B 223 -2.118 -12.101 -26.907 1.00 44.34 H new ATOM 0 HG2 ARG B 223 -3.233 -10.244 -25.732 1.00 21.44 H new ATOM 0 HG3 ARG B 223 -1.705 -9.735 -25.040 1.00 21.44 H new ATOM 0 HD2 ARG B 223 -0.800 -9.431 -27.368 1.00 32.32 H new ATOM 0 HD3 ARG B 223 -2.383 -9.835 -28.004 1.00 32.32 H new ATOM 0 HE ARG B 223 -3.132 -7.798 -26.478 1.00 14.21 H new ATOM 0 HH11 ARG B 223 -0.149 -8.105 -28.387 1.00 65.41 H new ATOM 0 HH12 ARG B 223 0.013 -6.363 -28.636 1.00 65.41 H new ATOM 0 HH21 ARG B 223 -2.904 -5.553 -26.807 1.00 54.25 H new ATOM 0 HH22 ARG B 223 -1.543 -4.925 -27.743 1.00 54.25 H new ATOM 1430 N ILE B 224 0.224 -11.845 -23.710 1.00 63.31 N ATOM 1431 CA ILE B 224 1.038 -11.208 -22.697 1.00 0.13 C ATOM 1432 C ILE B 224 1.418 -9.845 -23.262 1.00 62.23 C ATOM 1433 O ILE B 224 2.001 -9.760 -24.333 1.00 73.00 O ATOM 1434 CB ILE B 224 2.346 -12.025 -22.432 1.00 72.13 C ATOM 1435 CG1 ILE B 224 2.049 -13.530 -22.175 1.00 13.31 C ATOM 1436 CG2 ILE B 224 3.103 -11.438 -21.249 1.00 53.34 C ATOM 1437 CD1 ILE B 224 1.192 -13.823 -20.978 1.00 62.02 C ATOM 0 H ILE B 224 0.761 -12.259 -24.472 1.00 63.31 H new ATOM 0 HA ILE B 224 0.492 -11.137 -21.756 1.00 0.13 H new ATOM 0 HB ILE B 224 2.961 -11.956 -23.329 1.00 72.13 H new ATOM 0 HG12 ILE B 224 1.562 -13.943 -23.059 1.00 13.31 H new ATOM 0 HG13 ILE B 224 2.997 -14.055 -22.059 1.00 13.31 H new ATOM 0 HG21 ILE B 224 4.011 -12.016 -21.075 1.00 53.34 H new ATOM 0 HG22 ILE B 224 3.367 -10.403 -21.464 1.00 53.34 H new ATOM 0 HG23 ILE B 224 2.474 -11.475 -20.360 1.00 53.34 H new ATOM 0 HD11 ILE B 224 1.046 -14.900 -20.890 1.00 62.02 H new ATOM 0 HD12 ILE B 224 1.682 -13.448 -20.079 1.00 62.02 H new ATOM 0 HD13 ILE B 224 0.225 -13.334 -21.095 1.00 62.02 H new ATOM 1449 N LYS B 225 1.088 -8.797 -22.565 1.00 34.21 N ATOM 1450 CA LYS B 225 1.324 -7.476 -23.078 1.00 72.35 C ATOM 1451 C LYS B 225 1.928 -6.622 -22.010 1.00 1.40 C ATOM 1452 O LYS B 225 1.814 -6.950 -20.816 1.00 10.35 O ATOM 1453 CB LYS B 225 0.028 -6.779 -23.614 1.00 20.25 C ATOM 1454 CG LYS B 225 -1.036 -6.324 -22.577 1.00 24.42 C ATOM 1455 CD LYS B 225 -2.133 -7.345 -22.248 1.00 30.02 C ATOM 1456 CE LYS B 225 -1.659 -8.566 -21.522 1.00 3.44 C ATOM 1457 NZ LYS B 225 -2.776 -9.468 -21.127 1.00 45.52 N ATOM 0 H LYS B 225 0.656 -8.829 -21.642 1.00 34.21 H new ATOM 0 HA LYS B 225 2.004 -7.588 -23.922 1.00 72.35 H new ATOM 0 HB2 LYS B 225 0.332 -5.903 -24.187 1.00 20.25 H new ATOM 0 HB3 LYS B 225 -0.456 -7.463 -24.311 1.00 20.25 H new ATOM 0 HG2 LYS B 225 -0.523 -6.060 -21.652 1.00 24.42 H new ATOM 0 HG3 LYS B 225 -1.512 -5.416 -22.948 1.00 24.42 H new ATOM 0 HD2 LYS B 225 -2.897 -6.855 -21.644 1.00 30.02 H new ATOM 0 HD3 LYS B 225 -2.611 -7.655 -23.177 1.00 30.02 H new ATOM 0 HE2 LYS B 225 -0.962 -9.114 -22.156 1.00 3.44 H new ATOM 0 HE3 LYS B 225 -1.109 -8.264 -20.631 1.00 3.44 H new ATOM 0 HZ1 LYS B 225 -2.399 -10.271 -20.584 1.00 45.52 H new ATOM 0 HZ2 LYS B 225 -3.456 -8.943 -20.541 1.00 45.52 H new ATOM 0 HZ3 LYS B 225 -3.255 -9.821 -21.980 1.00 45.52 H new ATOM 1471 N THR B 226 2.557 -5.539 -22.420 1.00 44.21 N ATOM 1472 CA THR B 226 3.122 -4.614 -21.493 1.00 51.33 C ATOM 1473 C THR B 226 2.535 -3.224 -21.634 1.00 24.31 C ATOM 1474 O THR B 226 2.377 -2.697 -22.748 1.00 73.14 O ATOM 1475 CB THR B 226 4.671 -4.558 -21.546 1.00 61.24 C ATOM 1476 OG1 THR B 226 5.144 -4.348 -22.889 1.00 44.31 O ATOM 1477 CG2 THR B 226 5.285 -5.810 -20.969 1.00 43.54 C ATOM 0 H THR B 226 2.684 -5.288 -23.400 1.00 44.21 H new ATOM 0 HA THR B 226 2.850 -4.999 -20.510 1.00 51.33 H new ATOM 0 HB THR B 226 4.981 -3.709 -20.937 1.00 61.24 H new ATOM 0 HG1 THR B 226 6.123 -4.316 -22.890 1.00 44.31 H new ATOM 0 HG21 THR B 226 6.371 -5.740 -21.021 1.00 43.54 H new ATOM 0 HG22 THR B 226 4.978 -5.920 -19.929 1.00 43.54 H new ATOM 0 HG23 THR B 226 4.950 -6.676 -21.540 1.00 43.54 H new ATOM 1485 N TYR B 227 2.194 -2.657 -20.514 1.00 54.22 N ATOM 1486 CA TYR B 227 1.720 -1.299 -20.438 1.00 70.20 C ATOM 1487 C TYR B 227 2.777 -0.463 -19.801 1.00 4.13 C ATOM 1488 O TYR B 227 3.465 -0.926 -18.895 1.00 24.25 O ATOM 1489 CB TYR B 227 0.423 -1.203 -19.627 1.00 4.44 C ATOM 1490 CG TYR B 227 -0.784 -1.765 -20.325 1.00 14.45 C ATOM 1491 CD1 TYR B 227 -1.132 -3.098 -20.196 1.00 34.40 C ATOM 1492 CD2 TYR B 227 -1.576 -0.954 -21.125 1.00 51.42 C ATOM 1493 CE1 TYR B 227 -2.235 -3.608 -20.843 1.00 72.12 C ATOM 1494 CE2 TYR B 227 -2.681 -1.457 -21.775 1.00 63.44 C ATOM 1495 CZ TYR B 227 -3.006 -2.782 -21.633 1.00 14.44 C ATOM 1496 OH TYR B 227 -4.109 -3.293 -22.290 1.00 74.23 O ATOM 0 H TYR B 227 2.237 -3.130 -19.611 1.00 54.22 H new ATOM 0 HA TYR B 227 1.506 -0.943 -21.446 1.00 70.20 H new ATOM 0 HB2 TYR B 227 0.559 -1.728 -18.682 1.00 4.44 H new ATOM 0 HB3 TYR B 227 0.235 -0.157 -19.386 1.00 4.44 H new ATOM 0 HD1 TYR B 227 -0.529 -3.748 -19.579 1.00 34.40 H new ATOM 0 HD2 TYR B 227 -1.322 0.089 -21.240 1.00 51.42 H new ATOM 0 HE1 TYR B 227 -2.495 -4.650 -20.732 1.00 72.12 H new ATOM 0 HE2 TYR B 227 -3.288 -0.812 -22.393 1.00 63.44 H new ATOM 0 HH TYR B 227 -4.544 -2.580 -22.803 1.00 74.23 H new ATOM 1506 N THR B 228 2.941 0.727 -20.282 1.00 53.12 N ATOM 1507 CA THR B 228 3.900 1.611 -19.735 1.00 42.32 C ATOM 1508 C THR B 228 3.246 2.788 -19.055 1.00 73.14 C ATOM 1509 O THR B 228 2.419 3.508 -19.640 1.00 72.13 O ATOM 1510 CB THR B 228 4.952 2.076 -20.766 1.00 61.14 C ATOM 1511 OG1 THR B 228 4.319 2.490 -21.991 1.00 32.43 O ATOM 1512 CG2 THR B 228 5.978 0.988 -21.037 1.00 62.22 C ATOM 0 H THR B 228 2.410 1.107 -21.066 1.00 53.12 H new ATOM 0 HA THR B 228 4.439 1.040 -18.979 1.00 42.32 H new ATOM 0 HB THR B 228 5.475 2.933 -20.341 1.00 61.14 H new ATOM 0 HG1 THR B 228 5.002 2.782 -22.630 1.00 32.43 H new ATOM 0 HG21 THR B 228 6.704 1.346 -21.767 1.00 62.22 H new ATOM 0 HG22 THR B 228 6.491 0.732 -20.110 1.00 62.22 H new ATOM 0 HG23 THR B 228 5.476 0.104 -21.429 1.00 62.22 H new ATOM 1520 N ILE B 229 3.591 2.960 -17.835 1.00 41.31 N ATOM 1521 CA ILE B 229 3.120 4.042 -17.049 1.00 71.55 C ATOM 1522 C ILE B 229 4.214 5.049 -16.998 1.00 64.32 C ATOM 1523 O ILE B 229 5.345 4.712 -16.774 1.00 11.44 O ATOM 1524 CB ILE B 229 2.804 3.572 -15.609 1.00 74.32 C ATOM 1525 CG1 ILE B 229 1.696 2.519 -15.627 1.00 61.51 C ATOM 1526 CG2 ILE B 229 2.420 4.754 -14.725 1.00 62.32 C ATOM 1527 CD1 ILE B 229 1.499 1.798 -14.338 1.00 55.33 C ATOM 0 H ILE B 229 4.227 2.336 -17.339 1.00 41.31 H new ATOM 0 HA ILE B 229 2.209 4.454 -17.482 1.00 71.55 H new ATOM 0 HB ILE B 229 3.701 3.119 -15.188 1.00 74.32 H new ATOM 0 HG12 ILE B 229 0.759 3.002 -15.904 1.00 61.51 H new ATOM 0 HG13 ILE B 229 1.920 1.789 -16.405 1.00 61.51 H new ATOM 0 HG21 ILE B 229 2.202 4.399 -13.718 1.00 62.32 H new ATOM 0 HG22 ILE B 229 3.246 5.465 -14.689 1.00 62.32 H new ATOM 0 HG23 ILE B 229 1.537 5.244 -15.136 1.00 62.32 H new ATOM 0 HD11 ILE B 229 0.693 1.072 -14.447 1.00 55.33 H new ATOM 0 HD12 ILE B 229 2.419 1.281 -14.066 1.00 55.33 H new ATOM 0 HD13 ILE B 229 1.240 2.513 -13.557 1.00 55.33 H new ATOM 1539 N THR B 230 3.886 6.233 -17.251 1.00 42.44 N ATOM 1540 CA THR B 230 4.822 7.301 -17.207 1.00 34.21 C ATOM 1541 C THR B 230 4.220 8.433 -16.434 1.00 42.52 C ATOM 1542 O THR B 230 3.265 9.077 -16.895 1.00 52.52 O ATOM 1543 CB THR B 230 5.260 7.762 -18.628 1.00 52.11 C ATOM 1544 OG1 THR B 230 4.101 8.050 -19.433 1.00 71.01 O ATOM 1545 CG2 THR B 230 6.107 6.699 -19.324 1.00 4.40 C ATOM 0 H THR B 230 2.939 6.517 -17.503 1.00 42.44 H new ATOM 0 HA THR B 230 5.727 6.952 -16.711 1.00 34.21 H new ATOM 0 HB THR B 230 5.864 8.662 -18.512 1.00 52.11 H new ATOM 0 HG1 THR B 230 3.459 8.571 -18.907 1.00 71.01 H new ATOM 0 HG21 THR B 230 6.395 7.054 -20.313 1.00 4.40 H new ATOM 0 HG22 THR B 230 7.002 6.503 -18.734 1.00 4.40 H new ATOM 0 HG23 THR B 230 5.529 5.780 -19.422 1.00 4.40 H new ATOM 1553 N GLU B 231 4.700 8.636 -15.244 1.00 60.31 N ATOM 1554 CA GLU B 231 4.196 9.697 -14.443 1.00 50.42 C ATOM 1555 C GLU B 231 5.333 10.348 -13.696 1.00 5.11 C ATOM 1556 O GLU B 231 6.091 9.679 -13.035 1.00 65.33 O ATOM 1557 CB GLU B 231 3.012 9.202 -13.539 1.00 52.10 C ATOM 1558 CG GLU B 231 3.310 8.288 -12.335 1.00 71.14 C ATOM 1559 CD GLU B 231 3.528 9.056 -11.023 1.00 45.41 C ATOM 1560 OE1 GLU B 231 2.515 9.326 -10.323 1.00 3.52 O ATOM 1561 OE2 GLU B 231 4.654 9.357 -10.656 1.00 35.41 O ATOM 0 H GLU B 231 5.438 8.080 -14.812 1.00 60.31 H new ATOM 0 HA GLU B 231 3.759 10.474 -15.070 1.00 50.42 H new ATOM 0 HB2 GLU B 231 2.499 10.086 -13.160 1.00 52.10 H new ATOM 0 HB3 GLU B 231 2.307 8.676 -14.183 1.00 52.10 H new ATOM 0 HG2 GLU B 231 2.483 7.590 -12.205 1.00 71.14 H new ATOM 0 HG3 GLU B 231 4.198 7.694 -12.551 1.00 71.14 H new ATOM 1568 N GLY B 232 5.503 11.639 -13.899 1.00 73.34 N ATOM 1569 CA GLY B 232 6.546 12.388 -13.213 1.00 65.30 C ATOM 1570 C GLY B 232 7.953 11.888 -13.525 1.00 24.34 C ATOM 1571 O GLY B 232 8.778 11.758 -12.616 1.00 3.42 O ATOM 0 H GLY B 232 4.932 12.196 -14.535 1.00 73.34 H new ATOM 0 HA2 GLY B 232 6.472 13.439 -13.491 1.00 65.30 H new ATOM 0 HA3 GLY B 232 6.378 12.330 -12.138 1.00 65.30 H new ATOM 1575 N SER B 233 8.204 11.585 -14.811 1.00 23.44 N ATOM 1576 CA SER B 233 9.519 11.112 -15.308 1.00 42.42 C ATOM 1577 C SER B 233 9.837 9.687 -14.806 1.00 41.43 C ATOM 1578 O SER B 233 10.989 9.230 -14.824 1.00 0.31 O ATOM 1579 CB SER B 233 10.624 12.106 -14.917 1.00 71.21 C ATOM 1580 OG SER B 233 10.333 13.415 -15.421 1.00 52.34 O ATOM 0 H SER B 233 7.499 11.660 -15.544 1.00 23.44 H new ATOM 0 HA SER B 233 9.473 11.061 -16.396 1.00 42.42 H new ATOM 0 HB2 SER B 233 10.719 12.142 -13.832 1.00 71.21 H new ATOM 0 HB3 SER B 233 11.582 11.765 -15.310 1.00 71.21 H new ATOM 0 HG SER B 233 11.048 14.033 -15.160 1.00 52.34 H new ATOM 1586 N LEU B 234 8.803 8.995 -14.421 1.00 10.22 N ATOM 1587 CA LEU B 234 8.878 7.645 -13.915 1.00 71.43 C ATOM 1588 C LEU B 234 8.217 6.700 -14.916 1.00 73.11 C ATOM 1589 O LEU B 234 7.141 7.001 -15.421 1.00 30.14 O ATOM 1590 CB LEU B 234 8.185 7.638 -12.502 1.00 73.41 C ATOM 1591 CG LEU B 234 7.870 6.314 -11.759 1.00 61.02 C ATOM 1592 CD1 LEU B 234 6.698 5.554 -12.395 1.00 33.41 C ATOM 1593 CD2 LEU B 234 9.106 5.444 -11.660 1.00 11.21 C ATOM 0 H LEU B 234 7.852 9.362 -14.450 1.00 10.22 H new ATOM 0 HA LEU B 234 9.905 7.299 -13.795 1.00 71.43 H new ATOM 0 HB2 LEU B 234 8.814 8.232 -11.838 1.00 73.41 H new ATOM 0 HB3 LEU B 234 7.241 8.173 -12.610 1.00 73.41 H new ATOM 0 HG LEU B 234 7.558 6.577 -10.748 1.00 61.02 H new ATOM 0 HD11 LEU B 234 6.516 4.634 -11.839 1.00 33.41 H new ATOM 0 HD12 LEU B 234 5.804 6.177 -12.369 1.00 33.41 H new ATOM 0 HD13 LEU B 234 6.941 5.311 -13.429 1.00 33.41 H new ATOM 0 HD21 LEU B 234 8.860 4.521 -11.135 1.00 11.21 H new ATOM 0 HD22 LEU B 234 9.465 5.207 -12.661 1.00 11.21 H new ATOM 0 HD23 LEU B 234 9.883 5.977 -11.112 1.00 11.21 H new ATOM 1605 N ARG B 235 8.865 5.575 -15.207 1.00 55.43 N ATOM 1606 CA ARG B 235 8.307 4.578 -16.113 1.00 10.53 C ATOM 1607 C ARG B 235 7.820 3.423 -15.312 1.00 55.23 C ATOM 1608 O ARG B 235 8.327 3.173 -14.267 1.00 52.53 O ATOM 1609 CB ARG B 235 9.361 4.048 -17.087 1.00 14.03 C ATOM 1610 CG ARG B 235 9.770 4.966 -18.216 1.00 32.25 C ATOM 1611 CD ARG B 235 10.874 4.295 -19.026 1.00 65.01 C ATOM 1612 NE ARG B 235 11.213 5.006 -20.256 1.00 62.13 N ATOM 1613 CZ ARG B 235 12.351 4.830 -20.948 1.00 1.32 C ATOM 1614 NH1 ARG B 235 13.310 4.021 -20.476 1.00 62.25 N ATOM 1615 NH2 ARG B 235 12.528 5.457 -22.106 1.00 20.32 N ATOM 0 H ARG B 235 9.780 5.332 -14.827 1.00 55.43 H new ATOM 0 HA ARG B 235 7.504 5.052 -16.677 1.00 10.53 H new ATOM 0 HB2 ARG B 235 10.254 3.794 -16.516 1.00 14.03 H new ATOM 0 HB3 ARG B 235 8.986 3.121 -17.522 1.00 14.03 H new ATOM 0 HG2 ARG B 235 8.913 5.183 -18.854 1.00 32.25 H new ATOM 0 HG3 ARG B 235 10.120 5.919 -17.819 1.00 32.25 H new ATOM 0 HD2 ARG B 235 11.767 4.211 -18.407 1.00 65.01 H new ATOM 0 HD3 ARG B 235 10.564 3.281 -19.277 1.00 65.01 H new ATOM 0 HE ARG B 235 10.539 5.683 -20.614 1.00 62.13 H new ATOM 0 HH11 ARG B 235 13.177 3.536 -19.588 1.00 62.25 H new ATOM 0 HH12 ARG B 235 14.173 3.890 -21.004 1.00 62.25 H new ATOM 0 HH21 ARG B 235 11.800 6.072 -22.470 1.00 20.32 H new ATOM 0 HH22 ARG B 235 13.392 5.323 -22.631 1.00 20.32 H new ATOM 1629 N CYS B 236 6.808 2.781 -15.746 1.00 24.11 N ATOM 1630 CA CYS B 236 6.410 1.564 -15.120 1.00 22.42 C ATOM 1631 C CYS B 236 5.987 0.608 -16.205 1.00 61.42 C ATOM 1632 O CYS B 236 5.320 1.011 -17.143 1.00 51.35 O ATOM 1633 CB CYS B 236 5.290 1.794 -14.126 1.00 51.04 C ATOM 1634 SG CYS B 236 5.297 0.603 -12.726 1.00 62.13 S ATOM 0 H CYS B 236 6.231 3.071 -16.535 1.00 24.11 H new ATOM 0 HA CYS B 236 7.243 1.147 -14.554 1.00 22.42 H new ATOM 0 HB2 CYS B 236 5.367 2.807 -13.731 1.00 51.04 H new ATOM 0 HB3 CYS B 236 4.334 1.726 -14.645 1.00 51.04 H new ATOM 1639 N VAL B 237 6.388 -0.620 -16.106 1.00 2.51 N ATOM 1640 CA VAL B 237 6.068 -1.603 -17.115 1.00 51.41 C ATOM 1641 C VAL B 237 5.206 -2.673 -16.484 1.00 53.43 C ATOM 1642 O VAL B 237 5.512 -3.160 -15.395 1.00 3.11 O ATOM 1643 CB VAL B 237 7.340 -2.250 -17.718 1.00 60.23 C ATOM 1644 CG1 VAL B 237 6.989 -3.154 -18.886 1.00 1.15 C ATOM 1645 CG2 VAL B 237 8.360 -1.196 -18.128 1.00 72.41 C ATOM 0 H VAL B 237 6.945 -0.977 -15.330 1.00 2.51 H new ATOM 0 HA VAL B 237 5.539 -1.105 -17.928 1.00 51.41 H new ATOM 0 HB VAL B 237 7.797 -2.864 -16.942 1.00 60.23 H new ATOM 0 HG11 VAL B 237 7.900 -3.595 -19.291 1.00 1.15 H new ATOM 0 HG12 VAL B 237 6.322 -3.946 -18.545 1.00 1.15 H new ATOM 0 HG13 VAL B 237 6.493 -2.570 -19.661 1.00 1.15 H new ATOM 0 HG21 VAL B 237 9.240 -1.685 -18.547 1.00 72.41 H new ATOM 0 HG22 VAL B 237 7.921 -0.536 -18.876 1.00 72.41 H new ATOM 0 HG23 VAL B 237 8.651 -0.612 -17.255 1.00 72.41 H new ATOM 1655 N ILE B 238 4.138 -3.013 -17.143 1.00 72.14 N ATOM 1656 CA ILE B 238 3.192 -3.971 -16.622 1.00 33.22 C ATOM 1657 C ILE B 238 3.132 -5.186 -17.523 1.00 40.40 C ATOM 1658 O ILE B 238 2.786 -5.067 -18.685 1.00 54.24 O ATOM 1659 CB ILE B 238 1.787 -3.347 -16.600 1.00 62.14 C ATOM 1660 CG1 ILE B 238 1.822 -1.997 -15.891 1.00 60.11 C ATOM 1661 CG2 ILE B 238 0.798 -4.291 -15.907 1.00 31.32 C ATOM 1662 CD1 ILE B 238 0.536 -1.233 -15.986 1.00 3.35 C ATOM 0 H ILE B 238 3.893 -2.637 -18.059 1.00 72.14 H new ATOM 0 HA ILE B 238 3.510 -4.255 -15.619 1.00 33.22 H new ATOM 0 HB ILE B 238 1.455 -3.192 -17.627 1.00 62.14 H new ATOM 0 HG12 ILE B 238 2.064 -2.155 -14.840 1.00 60.11 H new ATOM 0 HG13 ILE B 238 2.625 -1.394 -16.316 1.00 60.11 H new ATOM 0 HG21 ILE B 238 -0.193 -3.837 -15.898 1.00 31.32 H new ATOM 0 HG22 ILE B 238 0.759 -5.237 -16.447 1.00 31.32 H new ATOM 0 HG23 ILE B 238 1.124 -4.471 -14.882 1.00 31.32 H new ATOM 0 HD11 ILE B 238 0.637 -0.284 -15.459 1.00 3.35 H new ATOM 0 HD12 ILE B 238 0.302 -1.043 -17.034 1.00 3.35 H new ATOM 0 HD13 ILE B 238 -0.267 -1.815 -15.535 1.00 3.35 H new ATOM 1674 N PHE B 239 3.466 -6.318 -16.984 1.00 11.12 N ATOM 1675 CA PHE B 239 3.376 -7.580 -17.668 1.00 32.15 C ATOM 1676 C PHE B 239 2.164 -8.327 -17.173 1.00 32.34 C ATOM 1677 O PHE B 239 2.142 -8.783 -16.022 1.00 34.44 O ATOM 1678 CB PHE B 239 4.613 -8.437 -17.409 1.00 0.02 C ATOM 1679 CG PHE B 239 5.852 -8.006 -18.114 1.00 31.24 C ATOM 1680 CD1 PHE B 239 6.605 -6.943 -17.655 1.00 3.01 C ATOM 1681 CD2 PHE B 239 6.267 -8.680 -19.247 1.00 33.32 C ATOM 1682 CE1 PHE B 239 7.753 -6.561 -18.321 1.00 74.04 C ATOM 1683 CE2 PHE B 239 7.406 -8.308 -19.915 1.00 53.03 C ATOM 1684 CZ PHE B 239 8.154 -7.244 -19.454 1.00 2.23 C ATOM 0 H PHE B 239 3.819 -6.396 -16.030 1.00 11.12 H new ATOM 0 HA PHE B 239 3.301 -7.383 -18.737 1.00 32.15 H new ATOM 0 HB2 PHE B 239 4.810 -8.445 -16.337 1.00 0.02 H new ATOM 0 HB3 PHE B 239 4.389 -9.464 -17.699 1.00 0.02 H new ATOM 0 HD1 PHE B 239 6.294 -6.407 -16.770 1.00 3.01 H new ATOM 0 HD2 PHE B 239 5.685 -9.513 -19.612 1.00 33.32 H new ATOM 0 HE1 PHE B 239 8.337 -5.729 -17.957 1.00 74.04 H new ATOM 0 HE2 PHE B 239 7.716 -8.846 -20.799 1.00 53.03 H new ATOM 0 HZ PHE B 239 9.051 -6.946 -19.977 1.00 2.23 H new ATOM 1694 N ILE B 240 1.144 -8.439 -17.989 1.00 22.23 N ATOM 1695 CA ILE B 240 -0.030 -9.181 -17.551 1.00 52.21 C ATOM 1696 C ILE B 240 0.096 -10.560 -18.145 1.00 71.53 C ATOM 1697 O ILE B 240 0.100 -10.701 -19.381 1.00 22.11 O ATOM 1698 CB ILE B 240 -1.346 -8.555 -18.079 1.00 70.32 C ATOM 1699 CG1 ILE B 240 -1.230 -7.029 -18.156 1.00 13.02 C ATOM 1700 CG2 ILE B 240 -2.522 -8.972 -17.208 1.00 75.43 C ATOM 1701 CD1 ILE B 240 -2.516 -6.295 -18.514 1.00 12.44 C ATOM 0 H ILE B 240 1.093 -8.045 -18.928 1.00 22.23 H new ATOM 0 HA ILE B 240 -0.073 -9.179 -16.462 1.00 52.21 H new ATOM 0 HB ILE B 240 -1.524 -8.927 -19.088 1.00 70.32 H new ATOM 0 HG12 ILE B 240 -0.876 -6.659 -17.194 1.00 13.02 H new ATOM 0 HG13 ILE B 240 -0.469 -6.776 -18.894 1.00 13.02 H new ATOM 0 HG21 ILE B 240 -3.437 -8.523 -17.594 1.00 75.43 H new ATOM 0 HG22 ILE B 240 -2.617 -10.058 -17.220 1.00 75.43 H new ATOM 0 HG23 ILE B 240 -2.355 -8.634 -16.185 1.00 75.43 H new ATOM 0 HD11 ILE B 240 -2.327 -5.222 -18.542 1.00 12.44 H new ATOM 0 HD12 ILE B 240 -2.865 -6.628 -19.492 1.00 12.44 H new ATOM 0 HD13 ILE B 240 -3.278 -6.509 -17.765 1.00 12.44 H new ATOM 1713 N THR B 241 0.194 -11.571 -17.313 1.00 40.53 N ATOM 1714 CA THR B 241 0.403 -12.895 -17.811 1.00 12.32 C ATOM 1715 C THR B 241 -0.719 -13.815 -17.368 1.00 44.11 C ATOM 1716 O THR B 241 -1.575 -13.423 -16.585 1.00 22.24 O ATOM 1717 CB THR B 241 1.772 -13.486 -17.357 1.00 44.44 C ATOM 1718 OG1 THR B 241 1.782 -13.699 -15.935 1.00 33.55 O ATOM 1719 CG2 THR B 241 2.926 -12.556 -17.709 1.00 73.55 C ATOM 0 H THR B 241 0.132 -11.495 -16.298 1.00 40.53 H new ATOM 0 HA THR B 241 0.412 -12.825 -18.899 1.00 12.32 H new ATOM 0 HB THR B 241 1.900 -14.433 -17.882 1.00 44.44 H new ATOM 0 HG1 THR B 241 1.362 -12.936 -15.487 1.00 33.55 H new ATOM 0 HG21 THR B 241 3.865 -13.000 -17.378 1.00 73.55 H new ATOM 0 HG22 THR B 241 2.956 -12.406 -18.788 1.00 73.55 H new ATOM 0 HG23 THR B 241 2.784 -11.596 -17.213 1.00 73.55 H new ATOM 1727 N LYS B 242 -0.692 -15.036 -17.851 1.00 0.33 N ATOM 1728 CA LYS B 242 -1.714 -16.024 -17.505 1.00 10.34 C ATOM 1729 C LYS B 242 -1.524 -16.713 -16.134 1.00 31.13 C ATOM 1730 O LYS B 242 -2.308 -17.586 -15.755 1.00 63.40 O ATOM 1731 CB LYS B 242 -2.005 -17.014 -18.666 1.00 12.51 C ATOM 1732 CG LYS B 242 -0.800 -17.541 -19.457 1.00 30.44 C ATOM 1733 CD LYS B 242 0.182 -18.347 -18.634 1.00 22.44 C ATOM 1734 CE LYS B 242 1.292 -18.883 -19.533 1.00 2.01 C ATOM 1735 NZ LYS B 242 2.286 -19.676 -18.797 1.00 2.04 N ATOM 0 H LYS B 242 0.026 -15.380 -18.489 1.00 0.33 H new ATOM 0 HA LYS B 242 -2.623 -15.439 -17.366 1.00 10.34 H new ATOM 0 HB2 LYS B 242 -2.539 -17.870 -18.254 1.00 12.51 H new ATOM 0 HB3 LYS B 242 -2.681 -16.524 -19.367 1.00 12.51 H new ATOM 0 HG2 LYS B 242 -1.162 -18.160 -20.278 1.00 30.44 H new ATOM 0 HG3 LYS B 242 -0.275 -16.696 -19.902 1.00 30.44 H new ATOM 0 HD2 LYS B 242 0.608 -17.725 -17.847 1.00 22.44 H new ATOM 0 HD3 LYS B 242 -0.333 -19.173 -18.144 1.00 22.44 H new ATOM 0 HE2 LYS B 242 0.852 -19.498 -20.318 1.00 2.01 H new ATOM 0 HE3 LYS B 242 1.791 -18.048 -20.024 1.00 2.01 H new ATOM 0 HZ1 LYS B 242 3.016 -20.015 -19.455 1.00 2.04 H new ATOM 0 HZ2 LYS B 242 2.728 -19.085 -18.064 1.00 2.04 H new ATOM 0 HZ3 LYS B 242 1.818 -20.490 -18.350 1.00 2.04 H new ATOM 1749 N ARG B 243 -0.496 -16.315 -15.388 1.00 52.12 N ATOM 1750 CA ARG B 243 -0.308 -16.838 -14.025 1.00 32.02 C ATOM 1751 C ARG B 243 -0.205 -15.714 -13.018 1.00 32.11 C ATOM 1752 O ARG B 243 0.045 -15.942 -11.837 1.00 33.23 O ATOM 1753 CB ARG B 243 0.911 -17.747 -13.886 1.00 53.14 C ATOM 1754 CG ARG B 243 0.858 -19.029 -14.681 1.00 20.31 C ATOM 1755 CD ARG B 243 2.009 -19.925 -14.282 1.00 35.33 C ATOM 1756 NE ARG B 243 2.058 -21.160 -15.063 1.00 63.43 N ATOM 1757 CZ ARG B 243 2.830 -22.206 -14.770 1.00 71.44 C ATOM 1758 NH1 ARG B 243 3.486 -22.253 -13.614 1.00 40.34 N ATOM 1759 NH2 ARG B 243 2.915 -23.225 -15.616 1.00 75.43 N ATOM 0 H ARG B 243 0.211 -15.645 -15.691 1.00 52.12 H new ATOM 0 HA ARG B 243 -1.193 -17.441 -13.822 1.00 32.02 H new ATOM 0 HB2 ARG B 243 1.796 -17.188 -14.189 1.00 53.14 H new ATOM 0 HB3 ARG B 243 1.038 -17.998 -12.833 1.00 53.14 H new ATOM 0 HG2 ARG B 243 -0.090 -19.538 -14.505 1.00 20.31 H new ATOM 0 HG3 ARG B 243 0.909 -18.809 -15.747 1.00 20.31 H new ATOM 0 HD2 ARG B 243 2.946 -19.383 -14.407 1.00 35.33 H new ATOM 0 HD3 ARG B 243 1.922 -20.172 -13.224 1.00 35.33 H new ATOM 0 HE ARG B 243 1.461 -21.225 -15.888 1.00 63.43 H new ATOM 0 HH11 ARG B 243 3.399 -21.486 -12.947 1.00 40.34 H new ATOM 0 HH12 ARG B 243 4.076 -23.056 -13.394 1.00 40.34 H new ATOM 0 HH21 ARG B 243 2.390 -23.207 -16.490 1.00 75.43 H new ATOM 0 HH22 ARG B 243 3.506 -24.026 -15.392 1.00 75.43 H new ATOM 1773 N GLY B 244 -0.398 -14.514 -13.467 1.00 52.35 N ATOM 1774 CA GLY B 244 -0.305 -13.413 -12.575 1.00 10.02 C ATOM 1775 C GLY B 244 0.209 -12.201 -13.249 1.00 72.11 C ATOM 1776 O GLY B 244 0.234 -12.125 -14.485 1.00 60.41 O ATOM 0 H GLY B 244 -0.618 -14.278 -14.435 1.00 52.35 H new ATOM 0 HA2 GLY B 244 -1.288 -13.204 -12.152 1.00 10.02 H new ATOM 0 HA3 GLY B 244 0.351 -13.673 -11.744 1.00 10.02 H new ATOM 1780 N LEU B 245 0.633 -11.255 -12.477 1.00 12.03 N ATOM 1781 CA LEU B 245 1.086 -10.006 -13.029 1.00 43.25 C ATOM 1782 C LEU B 245 2.466 -9.624 -12.534 1.00 5.05 C ATOM 1783 O LEU B 245 2.889 -10.011 -11.447 1.00 12.32 O ATOM 1784 CB LEU B 245 0.092 -8.841 -12.771 1.00 45.14 C ATOM 1785 CG LEU B 245 -1.283 -8.877 -13.476 1.00 44.20 C ATOM 1786 CD1 LEU B 245 -2.219 -9.928 -12.887 1.00 34.40 C ATOM 1787 CD2 LEU B 245 -1.925 -7.505 -13.455 1.00 71.23 C ATOM 0 H LEU B 245 0.678 -11.316 -11.460 1.00 12.03 H new ATOM 0 HA LEU B 245 1.140 -10.171 -14.105 1.00 43.25 H new ATOM 0 HB2 LEU B 245 -0.087 -8.789 -11.697 1.00 45.14 H new ATOM 0 HB3 LEU B 245 0.587 -7.913 -13.057 1.00 45.14 H new ATOM 0 HG LEU B 245 -1.104 -9.167 -14.511 1.00 44.20 H new ATOM 0 HD11 LEU B 245 -3.169 -9.909 -13.420 1.00 34.40 H new ATOM 0 HD12 LEU B 245 -1.767 -10.915 -12.987 1.00 34.40 H new ATOM 0 HD13 LEU B 245 -2.390 -9.713 -11.832 1.00 34.40 H new ATOM 0 HD21 LEU B 245 -2.892 -7.548 -13.956 1.00 71.23 H new ATOM 0 HD22 LEU B 245 -2.065 -7.184 -12.423 1.00 71.23 H new ATOM 0 HD23 LEU B 245 -1.281 -6.794 -13.972 1.00 71.23 H new ATOM 1799 N LYS B 246 3.149 -8.888 -13.348 1.00 61.24 N ATOM 1800 CA LYS B 246 4.442 -8.336 -13.050 1.00 0.44 C ATOM 1801 C LYS B 246 4.416 -6.843 -13.339 1.00 61.41 C ATOM 1802 O LYS B 246 3.961 -6.427 -14.387 1.00 74.14 O ATOM 1803 CB LYS B 246 5.540 -9.036 -13.878 1.00 73.13 C ATOM 1804 CG LYS B 246 6.822 -8.222 -14.015 1.00 71.10 C ATOM 1805 CD LYS B 246 7.827 -8.870 -14.948 1.00 24.15 C ATOM 1806 CE LYS B 246 8.939 -7.893 -15.269 1.00 32.43 C ATOM 1807 NZ LYS B 246 10.009 -8.485 -16.106 1.00 12.52 N ATOM 0 H LYS B 246 2.813 -8.641 -14.279 1.00 61.24 H new ATOM 0 HA LYS B 246 4.673 -8.498 -11.997 1.00 0.44 H new ATOM 0 HB2 LYS B 246 5.777 -9.993 -13.414 1.00 73.13 H new ATOM 0 HB3 LYS B 246 5.150 -9.252 -14.873 1.00 73.13 H new ATOM 0 HG2 LYS B 246 6.578 -7.226 -14.385 1.00 71.10 H new ATOM 0 HG3 LYS B 246 7.274 -8.095 -13.031 1.00 71.10 H new ATOM 0 HD2 LYS B 246 8.241 -9.766 -14.485 1.00 24.15 H new ATOM 0 HD3 LYS B 246 7.332 -9.186 -15.867 1.00 24.15 H new ATOM 0 HE2 LYS B 246 8.518 -7.030 -15.785 1.00 32.43 H new ATOM 0 HE3 LYS B 246 9.374 -7.528 -14.338 1.00 32.43 H new ATOM 0 HZ1 LYS B 246 10.740 -7.769 -16.292 1.00 12.52 H new ATOM 0 HZ2 LYS B 246 10.434 -9.292 -15.607 1.00 12.52 H new ATOM 0 HZ3 LYS B 246 9.605 -8.809 -17.008 1.00 12.52 H new ATOM 1821 N VAL B 247 4.877 -6.064 -12.422 1.00 60.42 N ATOM 1822 CA VAL B 247 4.904 -4.629 -12.588 1.00 72.23 C ATOM 1823 C VAL B 247 6.279 -4.098 -12.185 1.00 71.12 C ATOM 1824 O VAL B 247 6.862 -4.531 -11.182 1.00 54.12 O ATOM 1825 CB VAL B 247 3.757 -3.938 -11.793 1.00 30.10 C ATOM 1826 CG1 VAL B 247 3.879 -4.176 -10.292 1.00 70.32 C ATOM 1827 CG2 VAL B 247 3.680 -2.460 -12.121 1.00 4.50 C ATOM 0 H VAL B 247 5.249 -6.392 -11.531 1.00 60.42 H new ATOM 0 HA VAL B 247 4.733 -4.391 -13.638 1.00 72.23 H new ATOM 0 HB VAL B 247 2.820 -4.397 -12.108 1.00 30.10 H new ATOM 0 HG11 VAL B 247 3.059 -3.676 -9.777 1.00 70.32 H new ATOM 0 HG12 VAL B 247 3.837 -5.246 -10.089 1.00 70.32 H new ATOM 0 HG13 VAL B 247 4.828 -3.776 -9.936 1.00 70.32 H new ATOM 0 HG21 VAL B 247 2.871 -2.003 -11.552 1.00 4.50 H new ATOM 0 HG22 VAL B 247 4.623 -1.980 -11.860 1.00 4.50 H new ATOM 0 HG23 VAL B 247 3.491 -2.333 -13.187 1.00 4.50 H new ATOM 1837 N CYS B 248 6.812 -3.223 -12.966 1.00 40.04 N ATOM 1838 CA CYS B 248 8.125 -2.732 -12.712 1.00 22.44 C ATOM 1839 C CYS B 248 8.192 -1.239 -12.923 1.00 72.52 C ATOM 1840 O CYS B 248 8.178 -0.775 -14.061 1.00 42.41 O ATOM 1841 CB CYS B 248 9.109 -3.432 -13.648 1.00 12.43 C ATOM 1842 SG CYS B 248 10.856 -3.083 -13.311 1.00 64.14 S ATOM 0 H CYS B 248 6.357 -2.830 -13.790 1.00 40.04 H new ATOM 0 HA CYS B 248 8.385 -2.940 -11.674 1.00 22.44 H new ATOM 0 HB2 CYS B 248 8.949 -4.508 -13.583 1.00 12.43 H new ATOM 0 HB3 CYS B 248 8.885 -3.138 -14.674 1.00 12.43 H new ATOM 1847 N CYS B 249 8.209 -0.482 -11.849 1.00 5.20 N ATOM 1848 CA CYS B 249 8.375 0.944 -11.976 1.00 65.44 C ATOM 1849 C CYS B 249 9.855 1.294 -11.985 1.00 13.14 C ATOM 1850 O CYS B 249 10.628 0.807 -11.172 1.00 45.05 O ATOM 1851 CB CYS B 249 7.592 1.736 -10.915 1.00 32.11 C ATOM 1852 SG CYS B 249 5.746 1.706 -11.063 1.00 64.21 S ATOM 0 H CYS B 249 8.111 -0.825 -10.893 1.00 5.20 H new ATOM 0 HA CYS B 249 7.944 1.246 -12.930 1.00 65.44 H new ATOM 0 HB2 CYS B 249 7.862 1.350 -9.932 1.00 32.11 H new ATOM 0 HB3 CYS B 249 7.921 2.774 -10.952 1.00 32.11 H new ATOM 1857 N ASP B 250 10.218 2.134 -12.903 1.00 34.21 N ATOM 1858 CA ASP B 250 11.577 2.481 -13.169 1.00 75.22 C ATOM 1859 C ASP B 250 11.720 3.988 -13.379 1.00 72.22 C ATOM 1860 O ASP B 250 11.224 4.536 -14.352 1.00 45.33 O ATOM 1861 CB ASP B 250 12.020 1.745 -14.436 1.00 53.44 C ATOM 1862 CG ASP B 250 13.447 2.018 -14.827 1.00 14.42 C ATOM 1863 OD1 ASP B 250 14.361 1.376 -14.263 1.00 54.34 O ATOM 1864 OD2 ASP B 250 13.675 2.856 -15.707 1.00 60.30 O ATOM 0 H ASP B 250 9.552 2.613 -13.509 1.00 34.21 H new ATOM 0 HA ASP B 250 12.198 2.195 -12.320 1.00 75.22 H new ATOM 0 HB2 ASP B 250 11.893 0.673 -14.286 1.00 53.44 H new ATOM 0 HB3 ASP B 250 11.366 2.032 -15.259 1.00 53.44 H new ATOM 1869 N PRO B 251 12.377 4.679 -12.447 1.00 61.13 N ATOM 1870 CA PRO B 251 12.663 6.123 -12.555 1.00 65.01 C ATOM 1871 C PRO B 251 13.901 6.373 -13.433 1.00 51.52 C ATOM 1872 O PRO B 251 14.480 7.470 -13.440 1.00 42.05 O ATOM 1873 CB PRO B 251 12.962 6.507 -11.106 1.00 25.40 C ATOM 1874 CG PRO B 251 13.577 5.279 -10.530 1.00 63.33 C ATOM 1875 CD PRO B 251 12.881 4.117 -11.199 1.00 22.12 C ATOM 0 HA PRO B 251 11.851 6.691 -13.008 1.00 65.01 H new ATOM 0 HB2 PRO B 251 13.641 7.358 -11.050 1.00 25.40 H new ATOM 0 HB3 PRO B 251 12.054 6.788 -10.572 1.00 25.40 H new ATOM 0 HG2 PRO B 251 14.650 5.254 -10.719 1.00 63.33 H new ATOM 0 HG3 PRO B 251 13.443 5.245 -9.449 1.00 63.33 H new ATOM 0 HD2 PRO B 251 13.569 3.291 -11.382 1.00 22.12 H new ATOM 0 HD3 PRO B 251 12.072 3.727 -10.581 1.00 22.12 H new