USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=27 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 180:sc= 0 USER MOD Single : A 13 SER OG : rot 35:sc= 0.0329 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.0198 USER MOD Single : A 17 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.21) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.261 (180deg=-0.271) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 50:sc= 0.264 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -19:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= -0.0325 (180deg=-0.24) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot 180:sc= 0 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= -0.122 X(o=-0.12,f=-0.14) USER MOD Single : B 222 SER OG : rot -114:sc= -1.12 USER MOD Single : B 225 LYS NZ :NH3+ -143:sc= 1.21 (180deg=0.361) 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 42:sc= 0.0788 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -15:sc= 1.19 USER MOD Single : B 242 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0021) USER MOD Single : B 246 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00568) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.630 -11.101 -4.963 1.00 52.45 N ATOM 138 CA THR A 10 -8.247 -11.113 -4.573 1.00 74.15 C ATOM 139 C THR A 10 -7.417 -10.015 -5.297 1.00 12.33 C ATOM 140 O THR A 10 -7.442 -9.888 -6.529 1.00 24.24 O ATOM 141 CB THR A 10 -7.634 -12.546 -4.765 1.00 42.44 C ATOM 142 OG1 THR A 10 -6.302 -12.624 -4.239 1.00 23.31 O ATOM 143 CG2 THR A 10 -7.633 -12.976 -6.231 1.00 52.35 C ATOM 0 HA THR A 10 -8.200 -10.868 -3.512 1.00 74.15 H new ATOM 0 HB THR A 10 -8.273 -13.230 -4.207 1.00 42.44 H new ATOM 0 HG1 THR A 10 -5.950 -13.529 -4.373 1.00 23.31 H new ATOM 0 HG21 THR A 10 -7.200 -13.973 -6.318 1.00 52.35 H new ATOM 0 HG22 THR A 10 -8.656 -12.991 -6.607 1.00 52.35 H new ATOM 0 HG23 THR A 10 -7.042 -12.272 -6.816 1.00 52.35 H new ATOM 151 N CYS A 11 -6.723 -9.215 -4.512 1.00 12.13 N ATOM 152 CA CYS A 11 -5.839 -8.182 -5.023 1.00 44.45 C ATOM 153 C CYS A 11 -4.456 -8.486 -4.478 1.00 62.42 C ATOM 154 O CYS A 11 -4.335 -9.024 -3.372 1.00 51.13 O ATOM 155 CB CYS A 11 -6.275 -6.784 -4.517 1.00 52.33 C ATOM 156 SG CYS A 11 -8.047 -6.350 -4.783 1.00 61.41 S ATOM 0 H CYS A 11 -6.756 -9.263 -3.494 1.00 12.13 H new ATOM 0 HA CYS A 11 -5.862 -8.172 -6.113 1.00 44.45 H new ATOM 0 HB2 CYS A 11 -6.062 -6.722 -3.450 1.00 52.33 H new ATOM 0 HB3 CYS A 11 -5.659 -6.032 -5.009 1.00 52.33 H new ATOM 161 N VAL A 12 -3.433 -8.181 -5.220 1.00 4.21 N ATOM 162 CA VAL A 12 -2.084 -8.431 -4.780 1.00 51.13 C ATOM 163 C VAL A 12 -1.271 -7.136 -4.787 1.00 24.04 C ATOM 164 O VAL A 12 -1.393 -6.321 -5.702 1.00 72.40 O ATOM 165 CB VAL A 12 -1.384 -9.569 -5.606 1.00 51.23 C ATOM 166 CG1 VAL A 12 -2.024 -10.919 -5.306 1.00 25.02 C ATOM 167 CG2 VAL A 12 -1.459 -9.297 -7.110 1.00 23.01 C ATOM 0 H VAL A 12 -3.504 -7.754 -6.143 1.00 4.21 H new ATOM 0 HA VAL A 12 -2.134 -8.794 -3.754 1.00 51.13 H new ATOM 0 HB VAL A 12 -0.336 -9.588 -5.308 1.00 51.23 H new ATOM 0 HG11 VAL A 12 -1.526 -11.695 -5.887 1.00 25.02 H new ATOM 0 HG12 VAL A 12 -1.924 -11.141 -4.244 1.00 25.02 H new ATOM 0 HG13 VAL A 12 -3.081 -10.888 -5.572 1.00 25.02 H new ATOM 0 HG21 VAL A 12 -0.965 -10.104 -7.651 1.00 23.01 H new ATOM 0 HG22 VAL A 12 -2.503 -9.240 -7.418 1.00 23.01 H new ATOM 0 HG23 VAL A 12 -0.962 -8.353 -7.334 1.00 23.01 H new ATOM 177 N SER A 13 -0.470 -6.932 -3.774 1.00 33.22 N ATOM 178 CA SER A 13 0.276 -5.703 -3.655 1.00 4.25 C ATOM 179 C SER A 13 1.704 -5.930 -3.171 1.00 71.23 C ATOM 180 O SER A 13 1.927 -6.634 -2.171 1.00 34.41 O ATOM 181 CB SER A 13 -0.465 -4.762 -2.706 1.00 32.12 C ATOM 182 OG SER A 13 -0.732 -5.408 -1.462 1.00 54.04 O ATOM 0 H SER A 13 -0.316 -7.600 -3.019 1.00 33.22 H new ATOM 0 HA SER A 13 0.352 -5.257 -4.647 1.00 4.25 H new ATOM 0 HB2 SER A 13 0.131 -3.866 -2.535 1.00 32.12 H new ATOM 0 HB3 SER A 13 -1.401 -4.440 -3.163 1.00 32.12 H new ATOM 0 HG SER A 13 0.011 -6.007 -1.239 1.00 54.04 H new ATOM 188 N LEU A 14 2.655 -5.342 -3.874 1.00 64.13 N ATOM 189 CA LEU A 14 4.061 -5.395 -3.466 1.00 52.55 C ATOM 190 C LEU A 14 4.608 -4.035 -3.178 1.00 42.52 C ATOM 191 O LEU A 14 4.313 -3.060 -3.877 1.00 2.12 O ATOM 192 CB LEU A 14 4.982 -6.124 -4.454 1.00 53.34 C ATOM 193 CG LEU A 14 4.842 -7.636 -4.534 1.00 65.03 C ATOM 194 CD1 LEU A 14 5.827 -8.213 -5.534 1.00 64.35 C ATOM 195 CD2 LEU A 14 5.029 -8.283 -3.166 1.00 75.01 C ATOM 0 H LEU A 14 2.486 -4.819 -4.733 1.00 64.13 H new ATOM 0 HA LEU A 14 4.053 -5.987 -2.551 1.00 52.55 H new ATOM 0 HB2 LEU A 14 4.806 -5.714 -5.448 1.00 53.34 H new ATOM 0 HB3 LEU A 14 6.014 -5.892 -4.191 1.00 53.34 H new ATOM 0 HG LEU A 14 3.831 -7.858 -4.875 1.00 65.03 H new ATOM 0 HD11 LEU A 14 5.710 -9.296 -5.576 1.00 64.35 H new ATOM 0 HD12 LEU A 14 5.635 -7.789 -6.520 1.00 64.35 H new ATOM 0 HD13 LEU A 14 6.844 -7.969 -5.225 1.00 64.35 H new ATOM 0 HD21 LEU A 14 4.923 -9.364 -3.257 1.00 75.01 H new ATOM 0 HD22 LEU A 14 6.022 -8.047 -2.785 1.00 75.01 H new ATOM 0 HD23 LEU A 14 4.276 -7.901 -2.477 1.00 75.01 H new ATOM 207 N THR A 15 5.412 -3.974 -2.172 1.00 75.34 N ATOM 208 CA THR A 15 6.010 -2.756 -1.764 1.00 73.31 C ATOM 209 C THR A 15 7.479 -2.737 -2.128 1.00 42.20 C ATOM 210 O THR A 15 8.175 -3.762 -2.054 1.00 73.23 O ATOM 211 CB THR A 15 5.812 -2.472 -0.251 1.00 51.31 C ATOM 212 OG1 THR A 15 6.316 -3.565 0.544 1.00 23.51 O ATOM 213 CG2 THR A 15 4.340 -2.238 0.063 1.00 24.01 C ATOM 0 H THR A 15 5.674 -4.780 -1.605 1.00 75.34 H new ATOM 0 HA THR A 15 5.503 -1.955 -2.302 1.00 73.31 H new ATOM 0 HB THR A 15 6.372 -1.571 -0.002 1.00 51.31 H new ATOM 0 HG1 THR A 15 6.184 -3.366 1.494 1.00 23.51 H new ATOM 0 HG21 THR A 15 4.222 -2.041 1.128 1.00 24.01 H new ATOM 0 HG22 THR A 15 3.978 -1.382 -0.507 1.00 24.01 H new ATOM 0 HG23 THR A 15 3.765 -3.124 -0.208 1.00 24.01 H new ATOM 221 N THR A 16 7.923 -1.612 -2.539 1.00 42.33 N ATOM 222 CA THR A 16 9.277 -1.391 -2.915 1.00 65.22 C ATOM 223 C THR A 16 9.757 -0.200 -2.118 1.00 42.02 C ATOM 224 O THR A 16 8.924 0.482 -1.503 1.00 72.11 O ATOM 225 CB THR A 16 9.431 -1.176 -4.461 1.00 75.32 C ATOM 226 OG1 THR A 16 10.791 -0.887 -4.813 1.00 11.12 O ATOM 227 CG2 THR A 16 8.507 -0.080 -4.982 1.00 74.20 C ATOM 0 H THR A 16 7.336 -0.783 -2.629 1.00 42.33 H new ATOM 0 HA THR A 16 9.887 -2.267 -2.694 1.00 65.22 H new ATOM 0 HB THR A 16 9.139 -2.112 -4.938 1.00 75.32 H new ATOM 0 HG1 THR A 16 10.833 -0.604 -5.750 1.00 11.12 H new ATOM 0 HG21 THR A 16 8.648 0.034 -6.057 1.00 74.20 H new ATOM 0 HG22 THR A 16 7.471 -0.350 -4.778 1.00 74.20 H new ATOM 0 HG23 THR A 16 8.741 0.861 -4.484 1.00 74.20 H new ATOM 235 N GLN A 17 11.066 0.015 -2.064 1.00 52.43 N ATOM 236 CA GLN A 17 11.631 1.118 -1.292 1.00 24.14 C ATOM 237 C GLN A 17 10.927 2.418 -1.637 1.00 60.53 C ATOM 238 O GLN A 17 10.727 2.729 -2.814 1.00 14.21 O ATOM 239 CB GLN A 17 13.136 1.235 -1.511 1.00 32.24 C ATOM 240 CG GLN A 17 13.905 -0.034 -1.169 1.00 4.24 C ATOM 241 CD GLN A 17 13.626 -0.535 0.238 1.00 71.55 C ATOM 242 OE1 GLN A 17 12.717 -1.337 0.458 1.00 31.25 O ATOM 243 NE2 GLN A 17 14.375 -0.069 1.185 1.00 74.21 N ATOM 0 H GLN A 17 11.758 -0.560 -2.546 1.00 52.43 H new ATOM 0 HA GLN A 17 11.471 0.909 -0.234 1.00 24.14 H new ATOM 0 HB2 GLN A 17 13.324 1.493 -2.553 1.00 32.24 H new ATOM 0 HB3 GLN A 17 13.520 2.056 -0.905 1.00 32.24 H new ATOM 0 HG2 GLN A 17 13.645 -0.814 -1.885 1.00 4.24 H new ATOM 0 HG3 GLN A 17 14.973 0.155 -1.277 1.00 4.24 H new ATOM 0 HE21 GLN A 17 15.119 0.594 0.967 1.00 74.21 H new ATOM 0 HE22 GLN A 17 14.221 -0.365 2.149 1.00 74.21 H new ATOM 252 N ARG A 18 10.535 3.138 -0.593 1.00 34.31 N ATOM 253 CA ARG A 18 9.715 4.340 -0.683 1.00 73.22 C ATOM 254 C ARG A 18 10.297 5.400 -1.600 1.00 3.35 C ATOM 255 O ARG A 18 11.203 6.159 -1.216 1.00 55.31 O ATOM 256 CB ARG A 18 9.468 4.916 0.704 1.00 71.44 C ATOM 257 CG ARG A 18 8.744 3.964 1.631 1.00 72.32 C ATOM 258 CD ARG A 18 8.574 4.549 3.019 1.00 2.20 C ATOM 259 NE ARG A 18 7.858 3.625 3.903 1.00 31.50 N ATOM 260 CZ ARG A 18 7.600 3.834 5.200 1.00 53.55 C ATOM 261 NH1 ARG A 18 8.066 4.916 5.818 1.00 55.00 N ATOM 262 NH2 ARG A 18 6.901 2.946 5.878 1.00 23.13 N ATOM 0 H ARG A 18 10.785 2.895 0.366 1.00 34.31 H new ATOM 0 HA ARG A 18 8.768 4.035 -1.129 1.00 73.22 H new ATOM 0 HB2 ARG A 18 10.424 5.190 1.151 1.00 71.44 H new ATOM 0 HB3 ARG A 18 8.886 5.833 0.610 1.00 71.44 H new ATOM 0 HG2 ARG A 18 7.765 3.726 1.215 1.00 72.32 H new ATOM 0 HG3 ARG A 18 9.299 3.028 1.697 1.00 72.32 H new ATOM 0 HD2 ARG A 18 9.552 4.776 3.442 1.00 2.20 H new ATOM 0 HD3 ARG A 18 8.028 5.490 2.955 1.00 2.20 H new ATOM 0 HE ARG A 18 7.529 2.750 3.496 1.00 31.50 H new ATOM 0 HH11 ARG A 18 8.626 5.596 5.303 1.00 55.00 H new ATOM 0 HH12 ARG A 18 7.864 5.066 6.806 1.00 55.00 H new ATOM 0 HH21 ARG A 18 6.559 2.104 5.414 1.00 23.13 H new ATOM 0 HH22 ARG A 18 6.702 3.101 6.866 1.00 23.13 H new ATOM 276 N LEU A 19 9.801 5.423 -2.791 1.00 24.13 N ATOM 277 CA LEU A 19 10.178 6.376 -3.784 1.00 1.13 C ATOM 278 C LEU A 19 8.926 7.050 -4.275 1.00 23.44 C ATOM 279 O LEU A 19 7.912 6.389 -4.507 1.00 74.41 O ATOM 280 CB LEU A 19 10.965 5.706 -4.920 1.00 73.20 C ATOM 281 CG LEU A 19 12.322 5.112 -4.512 1.00 75.43 C ATOM 282 CD1 LEU A 19 12.973 4.399 -5.672 1.00 52.45 C ATOM 283 CD2 LEU A 19 13.245 6.205 -3.981 1.00 65.25 C ATOM 0 H LEU A 19 9.098 4.757 -3.112 1.00 24.13 H new ATOM 0 HA LEU A 19 10.846 7.126 -3.361 1.00 1.13 H new ATOM 0 HB2 LEU A 19 10.352 4.912 -5.346 1.00 73.20 H new ATOM 0 HB3 LEU A 19 11.130 6.440 -5.709 1.00 73.20 H new ATOM 0 HG LEU A 19 12.145 4.384 -3.720 1.00 75.43 H new ATOM 0 HD11 LEU A 19 13.932 3.988 -5.355 1.00 52.45 H new ATOM 0 HD12 LEU A 19 12.326 3.590 -6.011 1.00 52.45 H new ATOM 0 HD13 LEU A 19 13.132 5.103 -6.489 1.00 52.45 H new ATOM 0 HD21 LEU A 19 14.202 5.767 -3.697 1.00 65.25 H new ATOM 0 HD22 LEU A 19 13.405 6.954 -4.756 1.00 65.25 H new ATOM 0 HD23 LEU A 19 12.788 6.676 -3.110 1.00 65.25 H new ATOM 295 N PRO A 20 8.956 8.363 -4.426 1.00 11.15 N ATOM 296 CA PRO A 20 7.768 9.124 -4.716 1.00 70.53 C ATOM 297 C PRO A 20 7.275 9.005 -6.155 1.00 24.32 C ATOM 298 O PRO A 20 8.056 8.968 -7.123 1.00 0.35 O ATOM 299 CB PRO A 20 8.187 10.554 -4.407 1.00 73.41 C ATOM 300 CG PRO A 20 9.643 10.584 -4.694 1.00 32.14 C ATOM 301 CD PRO A 20 10.162 9.215 -4.357 1.00 23.51 C ATOM 0 HA PRO A 20 6.923 8.762 -4.130 1.00 70.53 H new ATOM 0 HB2 PRO A 20 7.645 11.269 -5.026 1.00 73.41 H new ATOM 0 HB3 PRO A 20 7.982 10.812 -3.368 1.00 73.41 H new ATOM 0 HG2 PRO A 20 9.829 10.825 -5.741 1.00 32.14 H new ATOM 0 HG3 PRO A 20 10.142 11.348 -4.098 1.00 32.14 H new ATOM 0 HD2 PRO A 20 10.925 8.889 -5.064 1.00 23.51 H new ATOM 0 HD3 PRO A 20 10.615 9.190 -3.366 1.00 23.51 H new ATOM 309 N VAL A 21 5.980 8.953 -6.270 1.00 73.52 N ATOM 310 CA VAL A 21 5.296 8.952 -7.525 1.00 1.01 C ATOM 311 C VAL A 21 4.537 10.252 -7.592 1.00 60.23 C ATOM 312 O VAL A 21 4.393 10.930 -6.555 1.00 24.40 O ATOM 313 CB VAL A 21 4.321 7.741 -7.676 1.00 63.25 C ATOM 314 CG1 VAL A 21 5.082 6.427 -7.554 1.00 30.22 C ATOM 315 CG2 VAL A 21 3.182 7.800 -6.655 1.00 61.11 C ATOM 0 H VAL A 21 5.354 8.909 -5.466 1.00 73.52 H new ATOM 0 HA VAL A 21 6.014 8.855 -8.340 1.00 1.01 H new ATOM 0 HB VAL A 21 3.874 7.798 -8.669 1.00 63.25 H new ATOM 0 HG11 VAL A 21 4.388 5.593 -7.661 1.00 30.22 H new ATOM 0 HG12 VAL A 21 5.840 6.371 -8.336 1.00 30.22 H new ATOM 0 HG13 VAL A 21 5.563 6.375 -6.577 1.00 30.22 H new ATOM 0 HG21 VAL A 21 2.525 6.941 -6.792 1.00 61.11 H new ATOM 0 HG22 VAL A 21 3.596 7.783 -5.647 1.00 61.11 H new ATOM 0 HG23 VAL A 21 2.612 8.718 -6.798 1.00 61.11 H new ATOM 325 N SER A 22 4.096 10.642 -8.749 1.00 50.12 N ATOM 326 CA SER A 22 3.392 11.884 -8.862 1.00 65.13 C ATOM 327 C SER A 22 1.998 11.770 -8.227 1.00 43.41 C ATOM 328 O SER A 22 1.665 12.540 -7.319 1.00 40.33 O ATOM 329 CB SER A 22 3.327 12.349 -10.321 1.00 24.34 C ATOM 330 OG SER A 22 2.676 13.605 -10.447 1.00 24.35 O ATOM 0 H SER A 22 4.209 10.125 -9.621 1.00 50.12 H new ATOM 0 HA SER A 22 3.941 12.648 -8.312 1.00 65.13 H new ATOM 0 HB2 SER A 22 4.337 12.421 -10.725 1.00 24.34 H new ATOM 0 HB3 SER A 22 2.798 11.605 -10.916 1.00 24.34 H new ATOM 0 HG SER A 22 2.655 13.869 -11.390 1.00 24.35 H new ATOM 336 N ARG A 23 1.205 10.799 -8.657 1.00 51.22 N ATOM 337 CA ARG A 23 -0.134 10.665 -8.124 1.00 23.20 C ATOM 338 C ARG A 23 -0.497 9.191 -7.939 1.00 72.12 C ATOM 339 O ARG A 23 -0.082 8.347 -8.738 1.00 72.23 O ATOM 340 CB ARG A 23 -1.122 11.335 -9.086 1.00 1.22 C ATOM 341 CG ARG A 23 -2.547 11.445 -8.571 1.00 51.34 C ATOM 342 CD ARG A 23 -3.450 12.113 -9.596 1.00 5.10 C ATOM 343 NE ARG A 23 -2.926 13.424 -10.026 1.00 13.40 N ATOM 344 CZ ARG A 23 -3.661 14.443 -10.476 1.00 62.14 C ATOM 345 NH1 ARG A 23 -4.982 14.381 -10.445 1.00 61.22 N ATOM 346 NH2 ARG A 23 -3.062 15.530 -10.939 1.00 44.11 N ATOM 0 H ARG A 23 1.463 10.107 -9.360 1.00 51.22 H new ATOM 0 HA ARG A 23 -0.182 11.149 -7.149 1.00 23.20 H new ATOM 0 HB2 ARG A 23 -0.758 12.336 -9.318 1.00 1.22 H new ATOM 0 HB3 ARG A 23 -1.132 10.775 -10.021 1.00 1.22 H new ATOM 0 HG2 ARG A 23 -2.930 10.452 -8.337 1.00 51.34 H new ATOM 0 HG3 ARG A 23 -2.559 12.018 -7.644 1.00 51.34 H new ATOM 0 HD2 ARG A 23 -3.555 11.463 -10.464 1.00 5.10 H new ATOM 0 HD3 ARG A 23 -4.446 12.242 -9.172 1.00 5.10 H new ATOM 0 HE ARG A 23 -1.917 13.563 -9.975 1.00 13.40 H new ATOM 0 HH11 ARG A 23 -5.445 13.551 -10.075 1.00 61.22 H new ATOM 0 HH12 ARG A 23 -5.538 15.164 -10.791 1.00 61.22 H new ATOM 0 HH21 ARG A 23 -2.044 15.585 -10.950 1.00 44.11 H new ATOM 0 HH22 ARG A 23 -3.619 16.312 -11.284 1.00 44.11 H new ATOM 360 N ILE A 24 -1.245 8.892 -6.874 1.00 42.33 N ATOM 361 CA ILE A 24 -1.750 7.542 -6.635 1.00 35.13 C ATOM 362 C ILE A 24 -2.860 7.314 -7.641 1.00 62.23 C ATOM 363 O ILE A 24 -3.978 7.827 -7.485 1.00 73.51 O ATOM 364 CB ILE A 24 -2.338 7.371 -5.193 1.00 54.52 C ATOM 365 CG1 ILE A 24 -1.329 7.799 -4.089 1.00 72.25 C ATOM 366 CG2 ILE A 24 -2.785 5.926 -4.965 1.00 11.30 C ATOM 367 CD1 ILE A 24 -0.054 7.022 -4.043 1.00 21.11 C ATOM 0 H ILE A 24 -1.514 9.571 -6.162 1.00 42.33 H new ATOM 0 HA ILE A 24 -0.932 6.829 -6.735 1.00 35.13 H new ATOM 0 HB ILE A 24 -3.201 8.032 -5.120 1.00 54.52 H new ATOM 0 HG12 ILE A 24 -1.087 8.852 -4.232 1.00 72.25 H new ATOM 0 HG13 ILE A 24 -1.821 7.714 -3.120 1.00 72.25 H new ATOM 0 HG21 ILE A 24 -3.191 5.825 -3.958 1.00 11.30 H new ATOM 0 HG22 ILE A 24 -3.552 5.663 -5.693 1.00 11.30 H new ATOM 0 HG23 ILE A 24 -1.931 5.258 -5.080 1.00 11.30 H new ATOM 0 HD11 ILE A 24 0.575 7.403 -3.238 1.00 21.11 H new ATOM 0 HD12 ILE A 24 -0.275 5.970 -3.864 1.00 21.11 H new ATOM 0 HD13 ILE A 24 0.470 7.126 -4.993 1.00 21.11 H new ATOM 379 N LYS A 25 -2.558 6.597 -8.671 1.00 40.31 N ATOM 380 CA LYS A 25 -3.466 6.469 -9.763 1.00 71.24 C ATOM 381 C LYS A 25 -3.825 5.036 -10.028 1.00 72.43 C ATOM 382 O LYS A 25 -3.133 4.120 -9.572 1.00 5.43 O ATOM 383 CB LYS A 25 -2.853 7.100 -10.988 1.00 34.43 C ATOM 384 CG LYS A 25 -1.597 6.436 -11.469 1.00 51.34 C ATOM 385 CD LYS A 25 -1.088 7.130 -12.696 1.00 41.21 C ATOM 386 CE LYS A 25 -0.835 8.590 -12.414 1.00 73.54 C ATOM 387 NZ LYS A 25 -0.466 9.350 -13.622 1.00 11.12 N ATOM 0 H LYS A 25 -1.682 6.086 -8.781 1.00 40.31 H new ATOM 0 HA LYS A 25 -4.392 6.983 -9.506 1.00 71.24 H new ATOM 0 HB2 LYS A 25 -3.587 7.087 -11.794 1.00 34.43 H new ATOM 0 HB3 LYS A 25 -2.636 8.146 -10.772 1.00 34.43 H new ATOM 0 HG2 LYS A 25 -0.839 6.462 -10.686 1.00 51.34 H new ATOM 0 HG3 LYS A 25 -1.792 5.386 -11.689 1.00 51.34 H new ATOM 0 HD2 LYS A 25 -0.167 6.654 -13.034 1.00 41.21 H new ATOM 0 HD3 LYS A 25 -1.813 7.030 -13.504 1.00 41.21 H new ATOM 0 HE2 LYS A 25 -1.729 9.030 -11.972 1.00 73.54 H new ATOM 0 HE3 LYS A 25 -0.038 8.680 -11.676 1.00 73.54 H new ATOM 0 HZ1 LYS A 25 -0.519 10.369 -13.421 1.00 11.12 H new ATOM 0 HZ2 LYS A 25 0.504 9.103 -13.905 1.00 11.12 H new ATOM 0 HZ3 LYS A 25 -1.122 9.115 -14.394 1.00 11.12 H new ATOM 401 N THR A 26 -4.898 4.852 -10.758 1.00 35.24 N ATOM 402 CA THR A 26 -5.378 3.558 -11.112 1.00 42.33 C ATOM 403 C THR A 26 -5.530 3.387 -12.612 1.00 3.44 C ATOM 404 O THR A 26 -6.114 4.230 -13.298 1.00 40.10 O ATOM 405 CB THR A 26 -6.710 3.220 -10.415 1.00 54.42 C ATOM 406 OG1 THR A 26 -7.652 4.305 -10.547 1.00 63.33 O ATOM 407 CG2 THR A 26 -6.510 2.867 -8.960 1.00 3.13 C ATOM 0 H THR A 26 -5.465 5.617 -11.124 1.00 35.24 H new ATOM 0 HA THR A 26 -4.617 2.860 -10.763 1.00 42.33 H new ATOM 0 HB THR A 26 -7.120 2.342 -10.914 1.00 54.42 H new ATOM 0 HG1 THR A 26 -8.490 4.067 -10.098 1.00 63.33 H new ATOM 0 HG21 THR A 26 -7.474 2.636 -8.506 1.00 3.13 H new ATOM 0 HG22 THR A 26 -5.855 1.999 -8.883 1.00 3.13 H new ATOM 0 HG23 THR A 26 -6.057 3.711 -8.440 1.00 3.13 H new ATOM 415 N TYR A 27 -4.983 2.318 -13.113 1.00 63.25 N ATOM 416 CA TYR A 27 -5.160 1.939 -14.492 1.00 41.44 C ATOM 417 C TYR A 27 -6.031 0.735 -14.539 1.00 75.02 C ATOM 418 O TYR A 27 -5.776 -0.236 -13.833 1.00 65.22 O ATOM 419 CB TYR A 27 -3.825 1.652 -15.189 1.00 71.02 C ATOM 420 CG TYR A 27 -3.000 2.875 -15.436 1.00 41.15 C ATOM 421 CD1 TYR A 27 -2.186 3.385 -14.458 1.00 21.41 C ATOM 422 CD2 TYR A 27 -3.052 3.526 -16.657 1.00 45.24 C ATOM 423 CE1 TYR A 27 -1.437 4.507 -14.679 1.00 32.22 C ATOM 424 CE2 TYR A 27 -2.304 4.657 -16.893 1.00 42.10 C ATOM 425 CZ TYR A 27 -1.499 5.147 -15.898 1.00 13.15 C ATOM 426 OH TYR A 27 -0.742 6.284 -16.119 1.00 23.10 O ATOM 0 H TYR A 27 -4.397 1.678 -12.576 1.00 63.25 H new ATOM 0 HA TYR A 27 -5.622 2.770 -15.025 1.00 41.44 H new ATOM 0 HB2 TYR A 27 -3.250 0.954 -14.580 1.00 71.02 H new ATOM 0 HB3 TYR A 27 -4.021 1.159 -16.141 1.00 71.02 H new ATOM 0 HD1 TYR A 27 -2.136 2.893 -13.498 1.00 21.41 H new ATOM 0 HD2 TYR A 27 -3.691 3.140 -17.438 1.00 45.24 H new ATOM 0 HE1 TYR A 27 -0.797 4.892 -13.899 1.00 32.22 H new ATOM 0 HE2 TYR A 27 -2.351 5.153 -17.851 1.00 42.10 H new ATOM 0 HH TYR A 27 -0.900 6.611 -17.029 1.00 23.10 H new ATOM 436 N THR A 28 -7.067 0.795 -15.314 1.00 54.32 N ATOM 437 CA THR A 28 -7.952 -0.311 -15.422 1.00 64.05 C ATOM 438 C THR A 28 -7.792 -0.943 -16.789 1.00 63.01 C ATOM 439 O THR A 28 -7.957 -0.287 -17.817 1.00 61.24 O ATOM 440 CB THR A 28 -9.406 0.119 -15.178 1.00 25.32 C ATOM 441 OG1 THR A 28 -9.455 0.839 -13.938 1.00 2.34 O ATOM 442 CG2 THR A 28 -10.316 -1.099 -15.064 1.00 31.34 C ATOM 0 H THR A 28 -7.318 1.604 -15.882 1.00 54.32 H new ATOM 0 HA THR A 28 -7.702 -1.046 -14.657 1.00 64.05 H new ATOM 0 HB THR A 28 -9.743 0.735 -16.011 1.00 25.32 H new ATOM 0 HG1 THR A 28 -10.376 1.125 -13.762 1.00 2.34 H new ATOM 0 HG21 THR A 28 -11.341 -0.772 -14.891 1.00 31.34 H new ATOM 0 HG22 THR A 28 -10.270 -1.676 -15.988 1.00 31.34 H new ATOM 0 HG23 THR A 28 -9.988 -1.721 -14.231 1.00 31.34 H new ATOM 450 N ILE A 29 -7.441 -2.188 -16.789 1.00 20.11 N ATOM 451 CA ILE A 29 -7.217 -2.931 -17.998 1.00 70.13 C ATOM 452 C ILE A 29 -8.391 -3.872 -18.233 1.00 31.21 C ATOM 453 O ILE A 29 -8.875 -4.507 -17.297 1.00 24.32 O ATOM 454 CB ILE A 29 -5.910 -3.755 -17.894 1.00 14.11 C ATOM 455 CG1 ILE A 29 -4.690 -2.848 -17.700 1.00 12.44 C ATOM 456 CG2 ILE A 29 -5.737 -4.612 -19.115 1.00 0.33 C ATOM 457 CD1 ILE A 29 -3.416 -3.583 -17.388 1.00 60.54 C ATOM 0 H ILE A 29 -7.298 -2.731 -15.938 1.00 20.11 H new ATOM 0 HA ILE A 29 -7.126 -2.233 -18.830 1.00 70.13 H new ATOM 0 HB ILE A 29 -5.988 -4.398 -17.018 1.00 14.11 H new ATOM 0 HG12 ILE A 29 -4.543 -2.258 -18.605 1.00 12.44 H new ATOM 0 HG13 ILE A 29 -4.898 -2.146 -16.892 1.00 12.44 H new ATOM 0 HG21 ILE A 29 -4.814 -5.186 -19.029 1.00 0.33 H new ATOM 0 HG22 ILE A 29 -6.582 -5.295 -19.203 1.00 0.33 H new ATOM 0 HG23 ILE A 29 -5.689 -3.978 -20.000 1.00 0.33 H new ATOM 0 HD11 ILE A 29 -2.603 -2.867 -17.266 1.00 60.54 H new ATOM 0 HD12 ILE A 29 -3.540 -4.151 -16.466 1.00 60.54 H new ATOM 0 HD13 ILE A 29 -3.180 -4.264 -18.205 1.00 60.54 H new ATOM 469 N THR A 30 -8.839 -3.937 -19.462 1.00 14.20 N ATOM 470 CA THR A 30 -9.939 -4.784 -19.862 1.00 74.43 C ATOM 471 C THR A 30 -9.589 -5.550 -21.145 1.00 10.21 C ATOM 472 O THR A 30 -9.927 -5.113 -22.252 1.00 12.25 O ATOM 473 CB THR A 30 -11.262 -3.973 -20.052 1.00 15.13 C ATOM 474 OG1 THR A 30 -11.033 -2.849 -20.941 1.00 53.11 O ATOM 475 CG2 THR A 30 -11.797 -3.462 -18.719 1.00 72.04 C ATOM 0 H THR A 30 -8.443 -3.393 -20.228 1.00 14.20 H new ATOM 0 HA THR A 30 -10.108 -5.500 -19.058 1.00 74.43 H new ATOM 0 HB THR A 30 -12.003 -4.644 -20.487 1.00 15.13 H new ATOM 0 HG1 THR A 30 -10.579 -3.160 -21.752 1.00 53.11 H new ATOM 0 HG21 THR A 30 -12.717 -2.902 -18.887 1.00 72.04 H new ATOM 0 HG22 THR A 30 -12.001 -4.307 -18.061 1.00 72.04 H new ATOM 0 HG23 THR A 30 -11.056 -2.811 -18.255 1.00 72.04 H new ATOM 483 N GLU A 31 -8.879 -6.659 -21.017 1.00 53.23 N ATOM 484 CA GLU A 31 -8.419 -7.371 -22.201 1.00 12.04 C ATOM 485 C GLU A 31 -9.097 -8.718 -22.363 1.00 53.42 C ATOM 486 O GLU A 31 -8.707 -9.694 -21.711 1.00 0.53 O ATOM 487 CB GLU A 31 -6.896 -7.570 -22.169 1.00 63.10 C ATOM 488 CG GLU A 31 -6.098 -6.291 -22.001 1.00 62.14 C ATOM 489 CD GLU A 31 -6.411 -5.255 -23.061 1.00 41.12 C ATOM 490 OE1 GLU A 31 -5.987 -5.449 -24.218 1.00 33.00 O ATOM 491 OE2 GLU A 31 -7.079 -4.244 -22.753 1.00 55.52 O ATOM 0 H GLU A 31 -8.612 -7.080 -20.127 1.00 53.23 H new ATOM 0 HA GLU A 31 -8.687 -6.750 -23.055 1.00 12.04 H new ATOM 0 HB2 GLU A 31 -6.648 -8.248 -21.352 1.00 63.10 H new ATOM 0 HB3 GLU A 31 -6.586 -8.058 -23.093 1.00 63.10 H new ATOM 0 HG2 GLU A 31 -6.301 -5.869 -21.017 1.00 62.14 H new ATOM 0 HG3 GLU A 31 -5.034 -6.526 -22.033 1.00 62.14 H new ATOM 498 N GLY A 32 -10.107 -8.761 -23.231 1.00 10.40 N ATOM 499 CA GLY A 32 -10.824 -9.995 -23.529 1.00 72.23 C ATOM 500 C GLY A 32 -11.384 -10.658 -22.292 1.00 62.42 C ATOM 501 O GLY A 32 -10.870 -11.695 -21.854 1.00 14.21 O ATOM 0 H GLY A 32 -10.447 -7.947 -23.743 1.00 10.40 H new ATOM 0 HA2 GLY A 32 -11.638 -9.779 -24.221 1.00 72.23 H new ATOM 0 HA3 GLY A 32 -10.152 -10.688 -24.035 1.00 72.23 H new ATOM 505 N SER A 33 -12.421 -10.061 -21.745 1.00 71.44 N ATOM 506 CA SER A 33 -13.066 -10.520 -20.536 1.00 42.05 C ATOM 507 C SER A 33 -12.098 -10.521 -19.353 1.00 4.10 C ATOM 508 O SER A 33 -11.678 -11.582 -18.856 1.00 5.44 O ATOM 509 CB SER A 33 -13.740 -11.884 -20.731 1.00 43.31 C ATOM 510 OG SER A 33 -14.702 -11.827 -21.787 1.00 34.51 O ATOM 0 H SER A 33 -12.848 -9.223 -22.139 1.00 71.44 H new ATOM 0 HA SER A 33 -13.859 -9.811 -20.301 1.00 42.05 H new ATOM 0 HB2 SER A 33 -12.987 -12.638 -20.959 1.00 43.31 H new ATOM 0 HB3 SER A 33 -14.227 -12.190 -19.805 1.00 43.31 H new ATOM 0 HG SER A 33 -15.120 -12.707 -21.897 1.00 34.51 H new ATOM 516 N LEU A 34 -11.694 -9.326 -18.954 1.00 24.33 N ATOM 517 CA LEU A 34 -10.763 -9.155 -17.874 1.00 41.52 C ATOM 518 C LEU A 34 -10.858 -7.749 -17.326 1.00 22.14 C ATOM 519 O LEU A 34 -11.030 -6.820 -18.091 1.00 33.25 O ATOM 520 CB LEU A 34 -9.327 -9.418 -18.360 1.00 3.44 C ATOM 521 CG LEU A 34 -8.252 -9.259 -17.305 1.00 42.44 C ATOM 522 CD1 LEU A 34 -8.471 -10.231 -16.178 1.00 43.41 C ATOM 523 CD2 LEU A 34 -6.868 -9.428 -17.876 1.00 42.41 C ATOM 0 H LEU A 34 -12.008 -8.452 -19.377 1.00 24.33 H new ATOM 0 HA LEU A 34 -11.011 -9.868 -17.088 1.00 41.52 H new ATOM 0 HB2 LEU A 34 -9.275 -10.431 -18.760 1.00 3.44 H new ATOM 0 HB3 LEU A 34 -9.109 -8.739 -19.184 1.00 3.44 H new ATOM 0 HG LEU A 34 -8.326 -8.242 -16.920 1.00 42.44 H new ATOM 0 HD11 LEU A 34 -7.689 -10.102 -15.429 1.00 43.41 H new ATOM 0 HD12 LEU A 34 -9.444 -10.046 -15.722 1.00 43.41 H new ATOM 0 HD13 LEU A 34 -8.439 -11.250 -16.565 1.00 43.41 H new ATOM 0 HD21 LEU A 34 -6.130 -9.306 -17.083 1.00 42.41 H new ATOM 0 HD22 LEU A 34 -6.773 -10.423 -18.310 1.00 42.41 H new ATOM 0 HD23 LEU A 34 -6.699 -8.678 -18.648 1.00 42.41 H new ATOM 535 N ARG A 35 -10.785 -7.594 -16.010 1.00 32.34 N ATOM 536 CA ARG A 35 -10.723 -6.272 -15.423 1.00 62.31 C ATOM 537 C ARG A 35 -9.596 -6.226 -14.405 1.00 2.11 C ATOM 538 O ARG A 35 -9.695 -6.806 -13.334 1.00 10.01 O ATOM 539 CB ARG A 35 -12.042 -5.939 -14.727 1.00 4.34 C ATOM 540 CG ARG A 35 -13.246 -5.938 -15.642 1.00 42.33 C ATOM 541 CD ARG A 35 -14.512 -5.678 -14.870 1.00 1.25 C ATOM 542 NE ARG A 35 -15.688 -5.752 -15.723 1.00 32.20 N ATOM 543 CZ ARG A 35 -16.946 -5.699 -15.293 1.00 35.14 C ATOM 544 NH1 ARG A 35 -17.212 -5.494 -14.009 1.00 14.12 N ATOM 545 NH2 ARG A 35 -17.930 -5.832 -16.158 1.00 12.40 N ATOM 0 H ARG A 35 -10.768 -8.362 -15.339 1.00 32.34 H new ATOM 0 HA ARG A 35 -10.543 -5.543 -16.213 1.00 62.31 H new ATOM 0 HB2 ARG A 35 -12.209 -6.660 -13.927 1.00 4.34 H new ATOM 0 HB3 ARG A 35 -11.955 -4.958 -14.259 1.00 4.34 H new ATOM 0 HG2 ARG A 35 -13.122 -5.175 -16.411 1.00 42.33 H new ATOM 0 HG3 ARG A 35 -13.319 -6.898 -16.154 1.00 42.33 H new ATOM 0 HD2 ARG A 35 -14.602 -6.405 -14.063 1.00 1.25 H new ATOM 0 HD3 ARG A 35 -14.460 -4.693 -14.407 1.00 1.25 H new ATOM 0 HE ARG A 35 -15.537 -5.852 -16.727 1.00 32.20 H new ATOM 0 HH11 ARG A 35 -16.449 -5.376 -13.343 1.00 14.12 H new ATOM 0 HH12 ARG A 35 -18.180 -5.455 -13.689 1.00 14.12 H new ATOM 0 HH21 ARG A 35 -17.724 -5.974 -17.147 1.00 12.40 H new ATOM 0 HH22 ARG A 35 -18.898 -5.793 -15.839 1.00 12.40 H new ATOM 559 N CYS A 36 -8.564 -5.516 -14.726 1.00 22.21 N ATOM 560 CA CYS A 36 -7.409 -5.367 -13.853 1.00 62.13 C ATOM 561 C CYS A 36 -7.288 -3.910 -13.441 1.00 35.24 C ATOM 562 O CYS A 36 -7.481 -3.035 -14.255 1.00 44.15 O ATOM 563 CB CYS A 36 -6.114 -5.802 -14.573 1.00 12.34 C ATOM 564 SG CYS A 36 -5.905 -7.566 -15.011 1.00 33.24 S ATOM 0 H CYS A 36 -8.483 -5.011 -15.608 1.00 22.21 H new ATOM 0 HA CYS A 36 -7.546 -6.001 -12.977 1.00 62.13 H new ATOM 0 HB2 CYS A 36 -6.035 -5.221 -15.492 1.00 12.34 H new ATOM 0 HB3 CYS A 36 -5.272 -5.516 -13.942 1.00 12.34 H new ATOM 569 N VAL A 37 -6.988 -3.656 -12.194 1.00 13.43 N ATOM 570 CA VAL A 37 -6.863 -2.306 -11.680 1.00 40.11 C ATOM 571 C VAL A 37 -5.523 -2.190 -10.992 1.00 30.35 C ATOM 572 O VAL A 37 -5.190 -3.011 -10.127 1.00 52.44 O ATOM 573 CB VAL A 37 -7.982 -1.970 -10.658 1.00 32.11 C ATOM 574 CG1 VAL A 37 -7.929 -0.510 -10.238 1.00 32.35 C ATOM 575 CG2 VAL A 37 -9.351 -2.340 -11.195 1.00 60.31 C ATOM 0 H VAL A 37 -6.821 -4.382 -11.497 1.00 13.43 H new ATOM 0 HA VAL A 37 -6.951 -1.607 -12.512 1.00 40.11 H new ATOM 0 HB VAL A 37 -7.804 -2.574 -9.768 1.00 32.11 H new ATOM 0 HG11 VAL A 37 -8.726 -0.308 -9.522 1.00 32.35 H new ATOM 0 HG12 VAL A 37 -6.964 -0.299 -9.776 1.00 32.35 H new ATOM 0 HG13 VAL A 37 -8.059 0.126 -11.114 1.00 32.35 H new ATOM 0 HG21 VAL A 37 -10.112 -2.092 -10.455 1.00 60.31 H new ATOM 0 HG22 VAL A 37 -9.544 -1.785 -12.113 1.00 60.31 H new ATOM 0 HG23 VAL A 37 -9.383 -3.409 -11.404 1.00 60.31 H new ATOM 585 N ILE A 38 -4.766 -1.209 -11.371 1.00 44.32 N ATOM 586 CA ILE A 38 -3.431 -1.029 -10.856 1.00 73.25 C ATOM 587 C ILE A 38 -3.338 0.274 -10.095 1.00 71.35 C ATOM 588 O ILE A 38 -3.616 1.326 -10.645 1.00 34.21 O ATOM 589 CB ILE A 38 -2.430 -0.970 -12.018 1.00 25.21 C ATOM 590 CG1 ILE A 38 -2.607 -2.187 -12.921 1.00 24.14 C ATOM 591 CG2 ILE A 38 -0.991 -0.904 -11.485 1.00 52.34 C ATOM 592 CD1 ILE A 38 -1.776 -2.129 -14.159 1.00 0.33 C ATOM 0 H ILE A 38 -5.051 -0.503 -12.050 1.00 44.32 H new ATOM 0 HA ILE A 38 -3.202 -1.866 -10.197 1.00 73.25 H new ATOM 0 HB ILE A 38 -2.622 -0.069 -12.600 1.00 25.21 H new ATOM 0 HG12 ILE A 38 -2.350 -3.086 -12.361 1.00 24.14 H new ATOM 0 HG13 ILE A 38 -3.657 -2.274 -13.200 1.00 24.14 H new ATOM 0 HG21 ILE A 38 -0.294 -0.863 -12.322 1.00 52.34 H new ATOM 0 HG22 ILE A 38 -0.872 -0.012 -10.869 1.00 52.34 H new ATOM 0 HG23 ILE A 38 -0.784 -1.790 -10.885 1.00 52.34 H new ATOM 0 HD11 ILE A 38 -1.949 -3.024 -14.756 1.00 0.33 H new ATOM 0 HD12 ILE A 38 -2.049 -1.248 -14.739 1.00 0.33 H new ATOM 0 HD13 ILE A 38 -0.722 -2.073 -13.887 1.00 0.33 H new ATOM 604 N PHE A 39 -2.962 0.180 -8.857 1.00 75.35 N ATOM 605 CA PHE A 39 -2.750 1.308 -7.991 1.00 54.42 C ATOM 606 C PHE A 39 -1.274 1.637 -7.927 1.00 33.21 C ATOM 607 O PHE A 39 -0.468 0.803 -7.475 1.00 64.25 O ATOM 608 CB PHE A 39 -3.221 0.985 -6.581 1.00 45.03 C ATOM 609 CG PHE A 39 -4.693 0.932 -6.399 1.00 35.00 C ATOM 610 CD1 PHE A 39 -5.433 -0.155 -6.832 1.00 51.35 C ATOM 611 CD2 PHE A 39 -5.338 1.973 -5.765 1.00 71.51 C ATOM 612 CE1 PHE A 39 -6.799 -0.191 -6.638 1.00 12.04 C ATOM 613 CE2 PHE A 39 -6.691 1.952 -5.568 1.00 13.33 C ATOM 614 CZ PHE A 39 -7.432 0.864 -6.002 1.00 45.34 C ATOM 0 H PHE A 39 -2.787 -0.716 -8.401 1.00 75.35 H new ATOM 0 HA PHE A 39 -3.312 2.153 -8.389 1.00 54.42 H new ATOM 0 HB2 PHE A 39 -2.801 0.023 -6.287 1.00 45.03 H new ATOM 0 HB3 PHE A 39 -2.814 1.732 -5.900 1.00 45.03 H new ATOM 0 HD1 PHE A 39 -4.939 -0.979 -7.324 1.00 51.35 H new ATOM 0 HD2 PHE A 39 -4.764 2.820 -5.418 1.00 71.51 H new ATOM 0 HE1 PHE A 39 -7.373 -1.039 -6.981 1.00 12.04 H new ATOM 0 HE2 PHE A 39 -7.180 2.780 -5.076 1.00 13.33 H new ATOM 0 HZ PHE A 39 -8.500 0.839 -5.845 1.00 45.34 H new ATOM 624 N ILE A 40 -0.899 2.807 -8.385 1.00 23.35 N ATOM 625 CA ILE A 40 0.476 3.226 -8.281 1.00 53.14 C ATOM 626 C ILE A 40 0.601 3.999 -7.008 1.00 23.12 C ATOM 627 O ILE A 40 -0.054 5.026 -6.854 1.00 65.14 O ATOM 628 CB ILE A 40 0.889 4.163 -9.441 1.00 71.10 C ATOM 629 CG1 ILE A 40 0.480 3.563 -10.775 1.00 3.55 C ATOM 630 CG2 ILE A 40 2.385 4.465 -9.400 1.00 13.13 C ATOM 631 CD1 ILE A 40 1.057 4.264 -11.970 1.00 11.01 C ATOM 0 H ILE A 40 -1.522 3.481 -8.830 1.00 23.35 H new ATOM 0 HA ILE A 40 1.116 2.344 -8.313 1.00 53.14 H new ATOM 0 HB ILE A 40 0.365 5.111 -9.321 1.00 71.10 H new ATOM 0 HG12 ILE A 40 0.786 2.517 -10.799 1.00 3.55 H new ATOM 0 HG13 ILE A 40 -0.607 3.579 -10.849 1.00 3.55 H new ATOM 0 HG21 ILE A 40 2.646 5.125 -10.227 1.00 13.13 H new ATOM 0 HG22 ILE A 40 2.632 4.950 -8.456 1.00 13.13 H new ATOM 0 HG23 ILE A 40 2.946 3.535 -9.488 1.00 13.13 H new ATOM 0 HD11 ILE A 40 0.715 3.772 -12.881 1.00 11.01 H new ATOM 0 HD12 ILE A 40 0.730 5.304 -11.975 1.00 11.01 H new ATOM 0 HD13 ILE A 40 2.145 4.226 -11.924 1.00 11.01 H new ATOM 643 N THR A 41 1.402 3.532 -6.089 1.00 63.31 N ATOM 644 CA THR A 41 1.537 4.237 -4.872 1.00 55.01 C ATOM 645 C THR A 41 3.003 4.513 -4.595 1.00 73.24 C ATOM 646 O THR A 41 3.874 3.858 -5.159 1.00 70.04 O ATOM 647 CB THR A 41 0.890 3.491 -3.669 1.00 72.44 C ATOM 648 OG1 THR A 41 1.626 2.308 -3.337 1.00 3.04 O ATOM 649 CG2 THR A 41 -0.550 3.087 -3.974 1.00 5.42 C ATOM 0 H THR A 41 1.957 2.680 -6.169 1.00 63.31 H new ATOM 0 HA THR A 41 0.999 5.178 -4.983 1.00 55.01 H new ATOM 0 HB THR A 41 0.906 4.185 -2.828 1.00 72.44 H new ATOM 0 HG1 THR A 41 2.188 2.049 -4.097 1.00 3.04 H new ATOM 0 HG21 THR A 41 -0.972 2.568 -3.113 1.00 5.42 H new ATOM 0 HG22 THR A 41 -1.141 3.978 -4.186 1.00 5.42 H new ATOM 0 HG23 THR A 41 -0.567 2.426 -4.840 1.00 5.42 H new ATOM 657 N LYS A 42 3.280 5.461 -3.721 1.00 62.51 N ATOM 658 CA LYS A 42 4.670 5.810 -3.418 1.00 23.14 C ATOM 659 C LYS A 42 5.395 4.802 -2.505 1.00 34.22 C ATOM 660 O LYS A 42 6.553 4.988 -2.148 1.00 40.54 O ATOM 661 CB LYS A 42 4.862 7.299 -3.014 1.00 42.42 C ATOM 662 CG LYS A 42 3.969 7.843 -1.905 1.00 64.35 C ATOM 663 CD LYS A 42 4.181 7.140 -0.593 1.00 53.23 C ATOM 664 CE LYS A 42 3.360 7.777 0.504 1.00 14.01 C ATOM 665 NZ LYS A 42 1.912 7.809 0.192 1.00 30.42 N ATOM 0 H LYS A 42 2.580 6.000 -3.211 1.00 62.51 H new ATOM 0 HA LYS A 42 5.193 5.714 -4.369 1.00 23.14 H new ATOM 0 HB2 LYS A 42 5.900 7.435 -2.709 1.00 42.42 H new ATOM 0 HB3 LYS A 42 4.708 7.912 -3.902 1.00 42.42 H new ATOM 0 HG2 LYS A 42 4.163 8.908 -1.777 1.00 64.35 H new ATOM 0 HG3 LYS A 42 2.925 7.742 -2.202 1.00 64.35 H new ATOM 0 HD2 LYS A 42 3.909 6.089 -0.692 1.00 53.23 H new ATOM 0 HD3 LYS A 42 5.237 7.172 -0.326 1.00 53.23 H new ATOM 0 HE2 LYS A 42 3.515 7.228 1.433 1.00 14.01 H new ATOM 0 HE3 LYS A 42 3.713 8.794 0.672 1.00 14.01 H new ATOM 0 HZ1 LYS A 42 1.379 8.081 1.043 1.00 30.42 H new ATOM 0 HZ2 LYS A 42 1.735 8.502 -0.563 1.00 30.42 H new ATOM 0 HZ3 LYS A 42 1.604 6.867 -0.123 1.00 30.42 H new ATOM 679 N ARG A 43 4.710 3.732 -2.139 1.00 15.01 N ATOM 680 CA ARG A 43 5.355 2.656 -1.407 1.00 14.21 C ATOM 681 C ARG A 43 5.433 1.403 -2.259 1.00 53.14 C ATOM 682 O ARG A 43 6.020 0.404 -1.855 1.00 3.34 O ATOM 683 CB ARG A 43 4.659 2.334 -0.088 1.00 55.10 C ATOM 684 CG ARG A 43 4.710 3.432 0.950 1.00 43.30 C ATOM 685 CD ARG A 43 4.084 2.958 2.242 1.00 44.02 C ATOM 686 NE ARG A 43 4.137 3.968 3.292 1.00 24.01 N ATOM 687 CZ ARG A 43 3.639 3.814 4.522 1.00 31.02 C ATOM 688 NH1 ARG A 43 2.994 2.692 4.847 1.00 64.13 N ATOM 689 NH2 ARG A 43 3.780 4.787 5.422 1.00 45.34 N ATOM 0 H ARG A 43 3.719 3.586 -2.334 1.00 15.01 H new ATOM 0 HA ARG A 43 6.359 3.006 -1.169 1.00 14.21 H new ATOM 0 HB2 ARG A 43 3.615 2.099 -0.294 1.00 55.10 H new ATOM 0 HB3 ARG A 43 5.111 1.436 0.333 1.00 55.10 H new ATOM 0 HG2 ARG A 43 5.744 3.729 1.126 1.00 43.30 H new ATOM 0 HG3 ARG A 43 4.183 4.313 0.584 1.00 43.30 H new ATOM 0 HD2 ARG A 43 3.045 2.683 2.059 1.00 44.02 H new ATOM 0 HD3 ARG A 43 4.597 2.058 2.582 1.00 44.02 H new ATOM 0 HE ARG A 43 4.587 4.856 3.072 1.00 24.01 H new ATOM 0 HH11 ARG A 43 2.881 1.950 4.156 1.00 64.13 H new ATOM 0 HH12 ARG A 43 2.614 2.576 5.787 1.00 64.13 H new ATOM 0 HH21 ARG A 43 4.267 5.647 5.171 1.00 45.34 H new ATOM 0 HH22 ARG A 43 3.400 4.671 6.362 1.00 45.34 H new ATOM 703 N GLY A 44 4.847 1.448 -3.432 1.00 72.52 N ATOM 704 CA GLY A 44 4.865 0.298 -4.280 1.00 74.55 C ATOM 705 C GLY A 44 3.658 0.203 -5.155 1.00 1.03 C ATOM 706 O GLY A 44 2.948 1.188 -5.367 1.00 35.12 O ATOM 0 H GLY A 44 4.360 2.261 -3.810 1.00 72.52 H new ATOM 0 HA2 GLY A 44 5.758 0.326 -4.904 1.00 74.55 H new ATOM 0 HA3 GLY A 44 4.934 -0.600 -3.665 1.00 74.55 H new ATOM 710 N LEU A 45 3.392 -0.973 -5.631 1.00 1.43 N ATOM 711 CA LEU A 45 2.327 -1.182 -6.568 1.00 3.11 C ATOM 712 C LEU A 45 1.331 -2.182 -6.055 1.00 3.52 C ATOM 713 O LEU A 45 1.683 -3.176 -5.413 1.00 13.04 O ATOM 714 CB LEU A 45 2.852 -1.648 -7.937 1.00 25.13 C ATOM 715 CG LEU A 45 3.697 -0.670 -8.771 1.00 2.42 C ATOM 716 CD1 LEU A 45 3.013 0.674 -8.945 1.00 22.52 C ATOM 717 CD2 LEU A 45 5.127 -0.530 -8.259 1.00 2.30 C ATOM 0 H LEU A 45 3.906 -1.818 -5.382 1.00 1.43 H new ATOM 0 HA LEU A 45 1.834 -0.218 -6.691 1.00 3.11 H new ATOM 0 HB2 LEU A 45 3.448 -2.546 -7.775 1.00 25.13 H new ATOM 0 HB3 LEU A 45 1.992 -1.940 -8.540 1.00 25.13 H new ATOM 0 HG LEU A 45 3.778 -1.114 -9.763 1.00 2.42 H new ATOM 0 HD11 LEU A 45 3.647 1.331 -9.540 1.00 22.52 H new ATOM 0 HD12 LEU A 45 2.059 0.534 -9.453 1.00 22.52 H new ATOM 0 HD13 LEU A 45 2.841 1.124 -7.967 1.00 22.52 H new ATOM 0 HD21 LEU A 45 5.672 0.173 -8.889 1.00 2.30 H new ATOM 0 HD22 LEU A 45 5.112 -0.162 -7.233 1.00 2.30 H new ATOM 0 HD23 LEU A 45 5.621 -1.501 -8.288 1.00 2.30 H new ATOM 729 N LYS A 46 0.111 -1.922 -6.354 1.00 45.41 N ATOM 730 CA LYS A 46 -0.996 -2.764 -5.994 1.00 23.54 C ATOM 731 C LYS A 46 -1.795 -3.070 -7.224 1.00 43.24 C ATOM 732 O LYS A 46 -2.277 -2.176 -7.891 1.00 73.02 O ATOM 733 CB LYS A 46 -1.885 -2.070 -4.954 1.00 1.22 C ATOM 734 CG LYS A 46 -3.278 -2.687 -4.786 1.00 70.31 C ATOM 735 CD LYS A 46 -4.155 -1.761 -3.981 1.00 72.44 C ATOM 736 CE LYS A 46 -5.604 -2.191 -3.941 1.00 65.03 C ATOM 737 NZ LYS A 46 -5.826 -3.394 -3.114 1.00 54.21 N ATOM 0 H LYS A 46 -0.166 -1.090 -6.875 1.00 45.41 H new ATOM 0 HA LYS A 46 -0.617 -3.688 -5.558 1.00 23.54 H new ATOM 0 HB2 LYS A 46 -1.376 -2.089 -3.990 1.00 1.22 H new ATOM 0 HB3 LYS A 46 -1.998 -1.023 -5.234 1.00 1.22 H new ATOM 0 HG2 LYS A 46 -3.726 -2.868 -5.763 1.00 70.31 H new ATOM 0 HG3 LYS A 46 -3.200 -3.653 -4.287 1.00 70.31 H new ATOM 0 HD2 LYS A 46 -3.772 -1.704 -2.962 1.00 72.44 H new ATOM 0 HD3 LYS A 46 -4.093 -0.757 -4.401 1.00 72.44 H new ATOM 0 HE2 LYS A 46 -6.210 -1.372 -3.552 1.00 65.03 H new ATOM 0 HE3 LYS A 46 -5.947 -2.387 -4.957 1.00 65.03 H new ATOM 0 HZ1 LYS A 46 -6.836 -3.641 -3.124 1.00 54.21 H new ATOM 0 HZ2 LYS A 46 -5.272 -4.186 -3.498 1.00 54.21 H new ATOM 0 HZ3 LYS A 46 -5.526 -3.203 -2.137 1.00 54.21 H new ATOM 751 N VAL A 47 -1.926 -4.301 -7.524 1.00 41.12 N ATOM 752 CA VAL A 47 -2.703 -4.700 -8.664 1.00 5.32 C ATOM 753 C VAL A 47 -3.805 -5.652 -8.248 1.00 33.23 C ATOM 754 O VAL A 47 -3.587 -6.630 -7.537 1.00 2.24 O ATOM 755 CB VAL A 47 -1.827 -5.300 -9.802 1.00 14.42 C ATOM 756 CG1 VAL A 47 -1.050 -6.514 -9.325 1.00 20.43 C ATOM 757 CG2 VAL A 47 -2.681 -5.642 -11.013 1.00 1.30 C ATOM 0 H VAL A 47 -1.507 -5.070 -7.001 1.00 41.12 H new ATOM 0 HA VAL A 47 -3.162 -3.801 -9.076 1.00 5.32 H new ATOM 0 HB VAL A 47 -1.101 -4.543 -10.097 1.00 14.42 H new ATOM 0 HG11 VAL A 47 -0.449 -6.907 -10.145 1.00 20.43 H new ATOM 0 HG12 VAL A 47 -0.396 -6.227 -8.502 1.00 20.43 H new ATOM 0 HG13 VAL A 47 -1.746 -7.281 -8.985 1.00 20.43 H new ATOM 0 HG21 VAL A 47 -2.050 -6.060 -11.797 1.00 1.30 H new ATOM 0 HG22 VAL A 47 -3.439 -6.372 -10.729 1.00 1.30 H new ATOM 0 HG23 VAL A 47 -3.168 -4.739 -11.382 1.00 1.30 H new ATOM 767 N CYS A 48 -4.980 -5.346 -8.647 1.00 24.20 N ATOM 768 CA CYS A 48 -6.095 -6.162 -8.343 1.00 1.33 C ATOM 769 C CYS A 48 -6.739 -6.515 -9.636 1.00 31.13 C ATOM 770 O CYS A 48 -7.013 -5.632 -10.431 1.00 61.41 O ATOM 771 CB CYS A 48 -7.080 -5.391 -7.487 1.00 74.43 C ATOM 772 SG CYS A 48 -8.383 -6.433 -6.780 1.00 51.13 S ATOM 0 H CYS A 48 -5.199 -4.516 -9.198 1.00 24.20 H new ATOM 0 HA CYS A 48 -5.785 -7.053 -7.797 1.00 1.33 H new ATOM 0 HB2 CYS A 48 -6.540 -4.898 -6.679 1.00 74.43 H new ATOM 0 HB3 CYS A 48 -7.538 -4.607 -8.089 1.00 74.43 H new ATOM 777 N CYS A 49 -6.982 -7.761 -9.888 1.00 32.11 N ATOM 778 CA CYS A 49 -7.562 -8.086 -11.143 1.00 61.25 C ATOM 779 C CYS A 49 -8.630 -9.142 -11.006 1.00 61.14 C ATOM 780 O CYS A 49 -8.546 -10.022 -10.151 1.00 5.40 O ATOM 781 CB CYS A 49 -6.499 -8.459 -12.183 1.00 13.53 C ATOM 782 SG CYS A 49 -7.176 -8.598 -13.832 1.00 2.33 S ATOM 0 H CYS A 49 -6.794 -8.545 -9.263 1.00 32.11 H new ATOM 0 HA CYS A 49 -8.056 -7.189 -11.515 1.00 61.25 H new ATOM 0 HB2 CYS A 49 -5.711 -7.706 -12.179 1.00 13.53 H new ATOM 0 HB3 CYS A 49 -6.037 -9.405 -11.902 1.00 13.53 H new ATOM 787 N ASP A 50 -9.634 -9.017 -11.833 1.00 54.15 N ATOM 788 CA ASP A 50 -10.772 -9.889 -11.849 1.00 44.11 C ATOM 789 C ASP A 50 -11.084 -10.187 -13.310 1.00 63.34 C ATOM 790 O ASP A 50 -11.334 -9.279 -14.073 1.00 21.11 O ATOM 791 CB ASP A 50 -11.968 -9.159 -11.239 1.00 71.34 C ATOM 792 CG ASP A 50 -13.166 -10.057 -11.002 1.00 30.41 C ATOM 793 OD1 ASP A 50 -13.668 -10.649 -11.965 1.00 23.12 O ATOM 794 OD2 ASP A 50 -13.643 -10.134 -9.847 1.00 2.41 O ATOM 0 H ASP A 50 -9.681 -8.280 -12.536 1.00 54.15 H new ATOM 0 HA ASP A 50 -10.573 -10.801 -11.287 1.00 44.11 H new ATOM 0 HB2 ASP A 50 -11.666 -8.711 -10.292 1.00 71.34 H new ATOM 0 HB3 ASP A 50 -12.261 -8.342 -11.899 1.00 71.34 H new ATOM 799 N PRO A 51 -11.075 -11.440 -13.718 1.00 4.02 N ATOM 800 CA PRO A 51 -11.322 -11.835 -15.115 1.00 53.11 C ATOM 801 C PRO A 51 -12.824 -11.927 -15.433 1.00 71.05 C ATOM 802 O PRO A 51 -13.251 -12.765 -16.253 1.00 32.23 O ATOM 803 CB PRO A 51 -10.692 -13.215 -15.143 1.00 14.10 C ATOM 804 CG PRO A 51 -11.017 -13.755 -13.814 1.00 42.42 C ATOM 805 CD PRO A 51 -10.855 -12.598 -12.864 1.00 23.51 C ATOM 0 HA PRO A 51 -10.925 -11.128 -15.844 1.00 53.11 H new ATOM 0 HB2 PRO A 51 -11.106 -13.831 -15.941 1.00 14.10 H new ATOM 0 HB3 PRO A 51 -9.615 -13.164 -15.305 1.00 14.10 H new ATOM 0 HG2 PRO A 51 -12.034 -14.147 -13.787 1.00 42.42 H new ATOM 0 HG3 PRO A 51 -10.351 -14.577 -13.550 1.00 42.42 H new ATOM 0 HD2 PRO A 51 -11.577 -12.641 -12.049 1.00 23.51 H new ATOM 0 HD3 PRO A 51 -9.864 -12.583 -12.411 1.00 23.51 H new ATOM 1207 N THR B 210 14.018 -2.154 -10.627 1.00 53.50 N ATOM 1208 CA THR B 210 13.476 -3.280 -9.958 1.00 21.24 C ATOM 1209 C THR B 210 12.168 -3.697 -10.579 1.00 12.03 C ATOM 1210 O THR B 210 11.323 -2.855 -10.928 1.00 64.43 O ATOM 1211 CB THR B 210 13.317 -2.989 -8.421 1.00 51.15 C ATOM 1212 OG1 THR B 210 12.833 -4.141 -7.706 1.00 42.24 O ATOM 1213 CG2 THR B 210 12.395 -1.796 -8.157 1.00 51.01 C ATOM 0 HA THR B 210 14.171 -4.112 -10.069 1.00 21.24 H new ATOM 0 HB THR B 210 14.314 -2.744 -8.054 1.00 51.15 H new ATOM 0 HG1 THR B 210 12.748 -3.923 -6.754 1.00 42.24 H new ATOM 0 HG21 THR B 210 12.313 -1.630 -7.083 1.00 51.01 H new ATOM 0 HG22 THR B 210 12.807 -0.905 -8.631 1.00 51.01 H new ATOM 0 HG23 THR B 210 11.407 -2.002 -8.569 1.00 51.01 H new ATOM 1221 N CYS B 211 11.995 -4.967 -10.745 1.00 64.42 N ATOM 1222 CA CYS B 211 10.766 -5.436 -11.251 1.00 34.43 C ATOM 1223 C CYS B 211 10.205 -6.357 -10.214 1.00 45.15 C ATOM 1224 O CYS B 211 10.957 -7.094 -9.568 1.00 25.41 O ATOM 1225 CB CYS B 211 10.943 -6.214 -12.566 1.00 23.11 C ATOM 1226 SG CYS B 211 12.067 -5.473 -13.838 1.00 1.33 S ATOM 0 H CYS B 211 12.688 -5.686 -10.537 1.00 64.42 H new ATOM 0 HA CYS B 211 10.110 -4.591 -11.462 1.00 34.43 H new ATOM 0 HB2 CYS B 211 11.316 -7.209 -12.323 1.00 23.11 H new ATOM 0 HB3 CYS B 211 9.959 -6.344 -13.018 1.00 23.11 H new ATOM 1231 N VAL B 212 8.919 -6.336 -10.042 1.00 31.52 N ATOM 1232 CA VAL B 212 8.295 -7.193 -9.090 1.00 34.20 C ATOM 1233 C VAL B 212 7.156 -7.936 -9.749 1.00 15.14 C ATOM 1234 O VAL B 212 6.434 -7.386 -10.588 1.00 72.32 O ATOM 1235 CB VAL B 212 7.827 -6.449 -7.782 1.00 61.15 C ATOM 1236 CG1 VAL B 212 9.001 -5.795 -7.069 1.00 71.31 C ATOM 1237 CG2 VAL B 212 6.740 -5.420 -8.044 1.00 54.23 C ATOM 0 H VAL B 212 8.280 -5.729 -10.554 1.00 31.52 H new ATOM 0 HA VAL B 212 9.047 -7.907 -8.754 1.00 34.20 H new ATOM 0 HB VAL B 212 7.400 -7.217 -7.137 1.00 61.15 H new ATOM 0 HG11 VAL B 212 8.646 -5.290 -6.171 1.00 71.31 H new ATOM 0 HG12 VAL B 212 9.729 -6.557 -6.793 1.00 71.31 H new ATOM 0 HG13 VAL B 212 9.470 -5.068 -7.732 1.00 71.31 H new ATOM 0 HG21 VAL B 212 6.459 -4.941 -7.106 1.00 54.23 H new ATOM 0 HG22 VAL B 212 7.112 -4.667 -8.739 1.00 54.23 H new ATOM 0 HG23 VAL B 212 5.869 -5.913 -8.475 1.00 54.23 H new ATOM 1247 N SER B 213 7.013 -9.171 -9.416 1.00 11.24 N ATOM 1248 CA SER B 213 6.000 -9.978 -10.014 1.00 23.31 C ATOM 1249 C SER B 213 5.093 -10.570 -8.966 1.00 10.23 C ATOM 1250 O SER B 213 5.559 -11.136 -7.971 1.00 23.24 O ATOM 1251 CB SER B 213 6.637 -11.067 -10.896 1.00 2.31 C ATOM 1252 OG SER B 213 7.592 -11.832 -10.161 1.00 50.45 O ATOM 0 H SER B 213 7.590 -9.651 -8.725 1.00 11.24 H new ATOM 0 HA SER B 213 5.383 -9.347 -10.654 1.00 23.31 H new ATOM 0 HB2 SER B 213 5.860 -11.726 -11.284 1.00 2.31 H new ATOM 0 HB3 SER B 213 7.121 -10.605 -11.756 1.00 2.31 H new ATOM 0 HG SER B 213 7.980 -12.518 -10.744 1.00 50.45 H new ATOM 1258 N LEU B 214 3.821 -10.423 -9.180 1.00 55.43 N ATOM 1259 CA LEU B 214 2.835 -10.936 -8.306 1.00 51.35 C ATOM 1260 C LEU B 214 2.052 -12.006 -8.964 1.00 23.44 C ATOM 1261 O LEU B 214 1.435 -11.808 -10.032 1.00 74.13 O ATOM 1262 CB LEU B 214 1.941 -9.828 -7.810 1.00 3.43 C ATOM 1263 CG LEU B 214 2.503 -9.009 -6.670 1.00 33.22 C ATOM 1264 CD1 LEU B 214 1.694 -7.746 -6.470 1.00 13.35 C ATOM 1265 CD2 LEU B 214 2.478 -9.867 -5.399 1.00 25.32 C ATOM 0 H LEU B 214 3.441 -9.930 -9.988 1.00 55.43 H new ATOM 0 HA LEU B 214 3.334 -11.377 -7.443 1.00 51.35 H new ATOM 0 HB2 LEU B 214 1.721 -9.160 -8.643 1.00 3.43 H new ATOM 0 HB3 LEU B 214 0.993 -10.262 -7.492 1.00 3.43 H new ATOM 0 HG LEU B 214 3.527 -8.713 -6.900 1.00 33.22 H new ATOM 0 HD11 LEU B 214 2.115 -7.171 -5.645 1.00 13.35 H new ATOM 0 HD12 LEU B 214 1.722 -7.148 -7.381 1.00 13.35 H new ATOM 0 HD13 LEU B 214 0.661 -8.008 -6.240 1.00 13.35 H new ATOM 0 HD21 LEU B 214 2.880 -9.293 -4.564 1.00 25.32 H new ATOM 0 HD22 LEU B 214 1.452 -10.159 -5.177 1.00 25.32 H new ATOM 0 HD23 LEU B 214 3.085 -10.760 -5.551 1.00 25.32 H new ATOM 1277 N THR B 215 2.091 -13.140 -8.374 1.00 43.25 N ATOM 1278 CA THR B 215 1.388 -14.228 -8.874 1.00 63.41 C ATOM 1279 C THR B 215 0.097 -14.384 -8.106 1.00 25.22 C ATOM 1280 O THR B 215 0.090 -14.654 -6.901 1.00 53.11 O ATOM 1281 CB THR B 215 2.213 -15.508 -8.798 1.00 23.05 C ATOM 1282 OG1 THR B 215 3.520 -15.252 -9.359 1.00 44.43 O ATOM 1283 CG2 THR B 215 1.539 -16.566 -9.631 1.00 72.55 C ATOM 0 H THR B 215 2.621 -13.328 -7.523 1.00 43.25 H new ATOM 0 HA THR B 215 1.168 -14.046 -9.926 1.00 63.41 H new ATOM 0 HB THR B 215 2.301 -15.836 -7.762 1.00 23.05 H new ATOM 0 HG1 THR B 215 4.061 -16.068 -9.314 1.00 44.43 H new ATOM 0 HG21 THR B 215 2.118 -17.488 -9.586 1.00 72.55 H new ATOM 0 HG22 THR B 215 0.536 -16.748 -9.245 1.00 72.55 H new ATOM 0 HG23 THR B 215 1.474 -16.228 -10.665 1.00 72.55 H new ATOM 1291 N THR B 216 -0.968 -14.164 -8.788 1.00 53.41 N ATOM 1292 CA THR B 216 -2.260 -14.314 -8.239 1.00 30.43 C ATOM 1293 C THR B 216 -2.796 -15.631 -8.755 1.00 1.32 C ATOM 1294 O THR B 216 -2.207 -16.194 -9.694 1.00 31.23 O ATOM 1295 CB THR B 216 -3.188 -13.119 -8.645 1.00 52.43 C ATOM 1296 OG1 THR B 216 -4.482 -13.247 -8.040 1.00 71.34 O ATOM 1297 CG2 THR B 216 -3.340 -13.016 -10.163 1.00 44.44 C ATOM 0 H THR B 216 -0.962 -13.868 -9.764 1.00 53.41 H new ATOM 0 HA THR B 216 -2.225 -14.312 -7.150 1.00 30.43 H new ATOM 0 HB THR B 216 -2.713 -12.207 -8.283 1.00 52.43 H new ATOM 0 HG1 THR B 216 -5.044 -12.489 -8.306 1.00 71.34 H new ATOM 0 HG21 THR B 216 -3.990 -12.176 -10.407 1.00 44.44 H new ATOM 0 HG22 THR B 216 -2.361 -12.861 -10.617 1.00 44.44 H new ATOM 0 HG23 THR B 216 -3.777 -13.937 -10.548 1.00 44.44 H new ATOM 1305 N GLN B 217 -3.851 -16.148 -8.136 1.00 53.41 N ATOM 1306 CA GLN B 217 -4.456 -17.392 -8.583 1.00 11.25 C ATOM 1307 C GLN B 217 -4.749 -17.286 -10.072 1.00 42.42 C ATOM 1308 O GLN B 217 -5.486 -16.407 -10.483 1.00 60.52 O ATOM 1309 CB GLN B 217 -5.736 -17.681 -7.800 1.00 24.33 C ATOM 1310 CG GLN B 217 -5.528 -17.757 -6.295 1.00 34.14 C ATOM 1311 CD GLN B 217 -4.487 -18.784 -5.893 1.00 44.51 C ATOM 1312 OE1 GLN B 217 -3.304 -18.477 -5.794 1.00 60.21 O ATOM 1313 NE2 GLN B 217 -4.909 -19.997 -5.668 1.00 64.23 N ATOM 0 H GLN B 217 -4.303 -15.725 -7.325 1.00 53.41 H new ATOM 0 HA GLN B 217 -3.767 -18.218 -8.405 1.00 11.25 H new ATOM 0 HB2 GLN B 217 -6.468 -16.903 -8.018 1.00 24.33 H new ATOM 0 HB3 GLN B 217 -6.159 -18.624 -8.148 1.00 24.33 H new ATOM 0 HG2 GLN B 217 -5.226 -16.777 -5.925 1.00 34.14 H new ATOM 0 HG3 GLN B 217 -6.476 -18.001 -5.814 1.00 34.14 H new ATOM 0 HE21 GLN B 217 -5.901 -20.217 -5.760 1.00 64.23 H new ATOM 0 HE22 GLN B 217 -4.247 -20.726 -5.400 1.00 64.23 H new ATOM 1322 N ARG B 218 -4.140 -18.188 -10.844 1.00 24.03 N ATOM 1323 CA ARG B 218 -4.131 -18.171 -12.320 1.00 20.15 C ATOM 1324 C ARG B 218 -5.446 -17.755 -12.958 1.00 13.43 C ATOM 1325 O ARG B 218 -6.444 -18.498 -12.950 1.00 20.44 O ATOM 1326 CB ARG B 218 -3.648 -19.507 -12.870 1.00 40.52 C ATOM 1327 CG ARG B 218 -2.233 -19.832 -12.439 1.00 42.33 C ATOM 1328 CD ARG B 218 -1.754 -21.158 -12.985 1.00 32.43 C ATOM 1329 NE ARG B 218 -0.394 -21.447 -12.525 1.00 74.12 N ATOM 1330 CZ ARG B 218 0.348 -22.503 -12.878 1.00 42.15 C ATOM 1331 NH1 ARG B 218 -0.112 -23.394 -13.749 1.00 44.52 N ATOM 1332 NH2 ARG B 218 1.561 -22.655 -12.363 1.00 15.42 N ATOM 0 H ARG B 218 -3.623 -18.976 -10.455 1.00 24.03 H new ATOM 0 HA ARG B 218 -3.425 -17.388 -12.599 1.00 20.15 H new ATOM 0 HB2 ARG B 218 -4.318 -20.299 -12.534 1.00 40.52 H new ATOM 0 HB3 ARG B 218 -3.698 -19.488 -13.959 1.00 40.52 H new ATOM 0 HG2 ARG B 218 -1.563 -19.041 -12.775 1.00 42.33 H new ATOM 0 HG3 ARG B 218 -2.183 -19.851 -11.350 1.00 42.33 H new ATOM 0 HD2 ARG B 218 -2.428 -21.953 -12.666 1.00 32.43 H new ATOM 0 HD3 ARG B 218 -1.778 -21.138 -14.075 1.00 32.43 H new ATOM 0 HE ARG B 218 0.026 -20.782 -11.876 1.00 74.12 H new ATOM 0 HH11 ARG B 218 -1.040 -23.277 -14.156 1.00 44.52 H new ATOM 0 HH12 ARG B 218 0.463 -24.195 -14.011 1.00 44.52 H new ATOM 0 HH21 ARG B 218 1.924 -21.969 -11.701 1.00 15.42 H new ATOM 0 HH22 ARG B 218 2.131 -23.458 -12.629 1.00 15.42 H new ATOM 1346 N LEU B 219 -5.437 -16.551 -13.478 1.00 13.12 N ATOM 1347 CA LEU B 219 -6.561 -15.956 -14.147 1.00 52.31 C ATOM 1348 C LEU B 219 -6.224 -15.908 -15.623 1.00 41.44 C ATOM 1349 O LEU B 219 -5.111 -15.514 -15.976 1.00 3.23 O ATOM 1350 CB LEU B 219 -6.759 -14.510 -13.647 1.00 32.30 C ATOM 1351 CG LEU B 219 -6.957 -14.315 -12.136 1.00 60.31 C ATOM 1352 CD1 LEU B 219 -7.052 -12.837 -11.801 1.00 71.23 C ATOM 1353 CD2 LEU B 219 -8.191 -15.057 -11.638 1.00 23.40 C ATOM 0 H LEU B 219 -4.619 -15.942 -13.444 1.00 13.12 H new ATOM 0 HA LEU B 219 -7.468 -16.530 -13.956 1.00 52.31 H new ATOM 0 HB2 LEU B 219 -5.892 -13.924 -13.953 1.00 32.30 H new ATOM 0 HB3 LEU B 219 -7.625 -14.090 -14.159 1.00 32.30 H new ATOM 0 HG LEU B 219 -6.089 -14.734 -11.627 1.00 60.31 H new ATOM 0 HD11 LEU B 219 -7.192 -12.716 -10.727 1.00 71.23 H new ATOM 0 HD12 LEU B 219 -6.134 -12.335 -12.106 1.00 71.23 H new ATOM 0 HD13 LEU B 219 -7.898 -12.398 -12.329 1.00 71.23 H new ATOM 0 HD21 LEU B 219 -8.303 -14.899 -10.565 1.00 23.40 H new ATOM 0 HD22 LEU B 219 -9.074 -14.681 -12.154 1.00 23.40 H new ATOM 0 HD23 LEU B 219 -8.080 -16.123 -11.838 1.00 23.40 H new ATOM 1365 N PRO B 220 -7.131 -16.322 -16.510 1.00 24.13 N ATOM 1366 CA PRO B 220 -6.860 -16.271 -17.938 1.00 71.15 C ATOM 1367 C PRO B 220 -6.895 -14.828 -18.441 1.00 3.10 C ATOM 1368 O PRO B 220 -7.773 -14.036 -18.040 1.00 23.52 O ATOM 1369 CB PRO B 220 -8.012 -17.079 -18.564 1.00 72.35 C ATOM 1370 CG PRO B 220 -8.736 -17.710 -17.416 1.00 62.03 C ATOM 1371 CD PRO B 220 -8.458 -16.859 -16.218 1.00 41.25 C ATOM 0 HA PRO B 220 -5.876 -16.666 -18.191 1.00 71.15 H new ATOM 0 HB2 PRO B 220 -8.676 -16.433 -19.138 1.00 72.35 H new ATOM 0 HB3 PRO B 220 -7.632 -17.836 -19.250 1.00 72.35 H new ATOM 0 HG2 PRO B 220 -9.807 -17.762 -17.614 1.00 62.03 H new ATOM 0 HG3 PRO B 220 -8.391 -18.731 -17.255 1.00 62.03 H new ATOM 0 HD2 PRO B 220 -9.199 -16.068 -16.102 1.00 41.25 H new ATOM 0 HD3 PRO B 220 -8.466 -17.441 -15.296 1.00 41.25 H new ATOM 1379 N VAL B 221 -5.978 -14.491 -19.326 1.00 62.11 N ATOM 1380 CA VAL B 221 -5.899 -13.143 -19.852 1.00 50.10 C ATOM 1381 C VAL B 221 -5.779 -13.209 -21.355 1.00 73.22 C ATOM 1382 O VAL B 221 -5.430 -14.256 -21.908 1.00 51.51 O ATOM 1383 CB VAL B 221 -4.684 -12.333 -19.278 1.00 34.04 C ATOM 1384 CG1 VAL B 221 -4.687 -12.315 -17.753 1.00 63.22 C ATOM 1385 CG2 VAL B 221 -3.352 -12.843 -19.821 1.00 21.01 C ATOM 0 H VAL B 221 -5.277 -15.133 -19.696 1.00 62.11 H new ATOM 0 HA VAL B 221 -6.808 -12.623 -19.548 1.00 50.10 H new ATOM 0 HB VAL B 221 -4.802 -11.305 -19.619 1.00 34.04 H new ATOM 0 HG11 VAL B 221 -3.830 -11.745 -17.394 1.00 63.22 H new ATOM 0 HG12 VAL B 221 -5.607 -11.851 -17.396 1.00 63.22 H new ATOM 0 HG13 VAL B 221 -4.626 -13.336 -17.377 1.00 63.22 H new ATOM 0 HG21 VAL B 221 -2.538 -12.255 -19.398 1.00 21.01 H new ATOM 0 HG22 VAL B 221 -3.224 -13.890 -19.546 1.00 21.01 H new ATOM 0 HG23 VAL B 221 -3.342 -12.749 -20.907 1.00 21.01 H new ATOM 1395 N SER B 222 -6.047 -12.128 -22.016 1.00 20.24 N ATOM 1396 CA SER B 222 -5.960 -12.119 -23.441 1.00 51.32 C ATOM 1397 C SER B 222 -4.612 -11.575 -23.918 1.00 60.53 C ATOM 1398 O SER B 222 -4.447 -10.360 -24.082 1.00 1.43 O ATOM 1399 CB SER B 222 -7.121 -11.347 -24.034 1.00 35.25 C ATOM 1400 OG SER B 222 -8.358 -11.897 -23.581 1.00 63.25 O ATOM 0 H SER B 222 -6.327 -11.243 -21.593 1.00 20.24 H new ATOM 0 HA SER B 222 -6.025 -13.148 -23.794 1.00 51.32 H new ATOM 0 HB2 SER B 222 -7.054 -10.297 -23.748 1.00 35.25 H new ATOM 0 HB3 SER B 222 -7.074 -11.384 -25.122 1.00 35.25 H new ATOM 0 HG SER B 222 -8.840 -12.288 -24.340 1.00 63.25 H new ATOM 1406 N ARG B 223 -3.648 -12.500 -24.063 1.00 21.20 N ATOM 1407 CA ARG B 223 -2.291 -12.238 -24.576 1.00 75.23 C ATOM 1408 C ARG B 223 -1.390 -11.471 -23.589 1.00 14.04 C ATOM 1409 O ARG B 223 -1.840 -10.572 -22.876 1.00 13.10 O ATOM 1410 CB ARG B 223 -2.340 -11.570 -25.962 1.00 32.15 C ATOM 1411 CG ARG B 223 -0.985 -11.353 -26.611 1.00 71.44 C ATOM 1412 CD ARG B 223 -1.129 -10.832 -28.025 1.00 0.32 C ATOM 1413 NE ARG B 223 -1.921 -11.754 -28.856 1.00 2.32 N ATOM 1414 CZ ARG B 223 -1.856 -11.850 -30.183 1.00 40.12 C ATOM 1415 NH1 ARG B 223 -1.003 -11.106 -30.874 1.00 35.05 N ATOM 1416 NH2 ARG B 223 -2.653 -12.700 -30.817 1.00 20.45 N ATOM 0 H ARG B 223 -3.795 -13.480 -23.820 1.00 21.20 H new ATOM 0 HA ARG B 223 -1.816 -13.212 -24.690 1.00 75.23 H new ATOM 0 HB2 ARG B 223 -2.951 -12.184 -26.624 1.00 32.15 H new ATOM 0 HB3 ARG B 223 -2.841 -10.607 -25.868 1.00 32.15 H new ATOM 0 HG2 ARG B 223 -0.405 -10.646 -26.018 1.00 71.44 H new ATOM 0 HG3 ARG B 223 -0.430 -12.291 -26.622 1.00 71.44 H new ATOM 0 HD2 ARG B 223 -1.607 -9.853 -28.007 1.00 0.32 H new ATOM 0 HD3 ARG B 223 -0.142 -10.697 -28.467 1.00 0.32 H new ATOM 0 HE ARG B 223 -2.575 -12.372 -28.375 1.00 2.32 H new ATOM 0 HH11 ARG B 223 -0.388 -10.452 -30.390 1.00 35.05 H new ATOM 0 HH12 ARG B 223 -0.962 -11.188 -31.890 1.00 35.05 H new ATOM 0 HH21 ARG B 223 -3.310 -13.274 -30.289 1.00 20.45 H new ATOM 0 HH22 ARG B 223 -2.609 -12.779 -31.833 1.00 20.45 H new ATOM 1430 N ILE B 224 -0.115 -11.855 -23.552 1.00 23.40 N ATOM 1431 CA ILE B 224 0.861 -11.209 -22.691 1.00 34.11 C ATOM 1432 C ILE B 224 1.209 -9.879 -23.336 1.00 44.33 C ATOM 1433 O ILE B 224 1.602 -9.836 -24.515 1.00 31.14 O ATOM 1434 CB ILE B 224 2.177 -12.048 -22.561 1.00 43.21 C ATOM 1435 CG1 ILE B 224 1.890 -13.544 -22.244 1.00 75.33 C ATOM 1436 CG2 ILE B 224 3.079 -11.451 -21.481 1.00 54.24 C ATOM 1437 CD1 ILE B 224 1.163 -13.809 -20.964 1.00 41.55 C ATOM 0 H ILE B 224 0.263 -12.617 -24.115 1.00 23.40 H new ATOM 0 HA ILE B 224 0.436 -11.097 -21.693 1.00 34.11 H new ATOM 0 HB ILE B 224 2.684 -12.007 -23.525 1.00 43.21 H new ATOM 0 HG12 ILE B 224 1.308 -13.965 -23.064 1.00 75.33 H new ATOM 0 HG13 ILE B 224 2.839 -14.079 -22.219 1.00 75.33 H new ATOM 0 HG21 ILE B 224 3.991 -12.043 -21.400 1.00 54.24 H new ATOM 0 HG22 ILE B 224 3.335 -10.425 -21.747 1.00 54.24 H new ATOM 0 HG23 ILE B 224 2.556 -11.458 -20.525 1.00 54.24 H new ATOM 0 HD11 ILE B 224 1.017 -14.882 -20.844 1.00 41.55 H new ATOM 0 HD12 ILE B 224 1.748 -13.427 -20.127 1.00 41.55 H new ATOM 0 HD13 ILE B 224 0.194 -13.311 -20.986 1.00 41.55 H new ATOM 1449 N LYS B 225 1.050 -8.812 -22.614 1.00 1.44 N ATOM 1450 CA LYS B 225 1.291 -7.508 -23.167 1.00 62.41 C ATOM 1451 C LYS B 225 1.902 -6.607 -22.131 1.00 44.13 C ATOM 1452 O LYS B 225 1.805 -6.885 -20.926 1.00 41.02 O ATOM 1453 CB LYS B 225 -0.023 -6.932 -23.666 1.00 11.35 C ATOM 1454 CG LYS B 225 -1.042 -6.696 -22.575 1.00 14.41 C ATOM 1455 CD LYS B 225 -2.383 -6.377 -23.158 1.00 63.10 C ATOM 1456 CE LYS B 225 -2.983 -7.609 -23.808 1.00 32.51 C ATOM 1457 NZ LYS B 225 -4.146 -7.307 -24.651 1.00 63.13 N ATOM 0 H LYS B 225 0.754 -8.815 -21.638 1.00 1.44 H new ATOM 0 HA LYS B 225 1.990 -7.587 -24.000 1.00 62.41 H new ATOM 0 HB2 LYS B 225 0.175 -5.989 -24.175 1.00 11.35 H new ATOM 0 HB3 LYS B 225 -0.448 -7.610 -24.406 1.00 11.35 H new ATOM 0 HG2 LYS B 225 -1.117 -7.581 -21.944 1.00 14.41 H new ATOM 0 HG3 LYS B 225 -0.714 -5.876 -21.936 1.00 14.41 H new ATOM 0 HD2 LYS B 225 -3.048 -6.010 -22.377 1.00 63.10 H new ATOM 0 HD3 LYS B 225 -2.286 -5.580 -23.895 1.00 63.10 H new ATOM 0 HE2 LYS B 225 -2.221 -8.101 -24.413 1.00 32.51 H new ATOM 0 HE3 LYS B 225 -3.278 -8.315 -23.032 1.00 32.51 H new ATOM 0 HZ1 LYS B 225 -4.849 -8.068 -24.558 1.00 63.13 H new ATOM 0 HZ2 LYS B 225 -4.569 -6.406 -24.349 1.00 63.13 H new ATOM 0 HZ3 LYS B 225 -3.845 -7.233 -25.644 1.00 63.13 H new ATOM 1471 N THR B 226 2.521 -5.549 -22.587 1.00 53.03 N ATOM 1472 CA THR B 226 3.150 -4.608 -21.730 1.00 23.41 C ATOM 1473 C THR B 226 2.621 -3.191 -21.901 1.00 61.11 C ATOM 1474 O THR B 226 2.494 -2.674 -23.024 1.00 1.22 O ATOM 1475 CB THR B 226 4.689 -4.637 -21.875 1.00 31.04 C ATOM 1476 OG1 THR B 226 5.062 -4.659 -23.267 1.00 71.22 O ATOM 1477 CG2 THR B 226 5.294 -5.826 -21.155 1.00 62.33 C ATOM 0 H THR B 226 2.597 -5.324 -23.579 1.00 53.03 H new ATOM 0 HA THR B 226 2.894 -4.920 -20.717 1.00 23.41 H new ATOM 0 HB THR B 226 5.081 -3.730 -21.414 1.00 31.04 H new ATOM 0 HG1 THR B 226 6.039 -4.675 -23.344 1.00 71.22 H new ATOM 0 HG21 THR B 226 6.377 -5.814 -21.279 1.00 62.33 H new ATOM 0 HG22 THR B 226 5.049 -5.772 -20.094 1.00 62.33 H new ATOM 0 HG23 THR B 226 4.891 -6.748 -21.574 1.00 62.33 H new ATOM 1485 N TYR B 227 2.287 -2.591 -20.790 1.00 40.30 N ATOM 1486 CA TYR B 227 1.888 -1.202 -20.724 1.00 41.03 C ATOM 1487 C TYR B 227 2.964 -0.445 -20.012 1.00 35.31 C ATOM 1488 O TYR B 227 3.600 -0.983 -19.114 1.00 3.00 O ATOM 1489 CB TYR B 227 0.542 -1.038 -19.998 1.00 73.14 C ATOM 1490 CG TYR B 227 -0.625 -1.600 -20.767 1.00 10.31 C ATOM 1491 CD1 TYR B 227 -1.002 -2.923 -20.621 1.00 42.01 C ATOM 1492 CD2 TYR B 227 -1.341 -0.807 -21.654 1.00 44.25 C ATOM 1493 CE1 TYR B 227 -2.059 -3.440 -21.331 1.00 73.43 C ATOM 1494 CE2 TYR B 227 -2.402 -1.320 -22.373 1.00 63.41 C ATOM 1495 CZ TYR B 227 -2.756 -2.640 -22.207 1.00 61.13 C ATOM 1496 OH TYR B 227 -3.806 -3.163 -22.922 1.00 41.11 O ATOM 0 H TYR B 227 2.283 -3.060 -19.884 1.00 40.30 H new ATOM 0 HA TYR B 227 1.754 -0.813 -21.733 1.00 41.03 H new ATOM 0 HB2 TYR B 227 0.599 -1.530 -19.027 1.00 73.14 H new ATOM 0 HB3 TYR B 227 0.367 0.021 -19.808 1.00 73.14 H new ATOM 0 HD1 TYR B 227 -0.458 -3.559 -19.939 1.00 42.01 H new ATOM 0 HD2 TYR B 227 -1.063 0.229 -21.784 1.00 44.25 H new ATOM 0 HE1 TYR B 227 -2.343 -4.474 -21.201 1.00 73.43 H new ATOM 0 HE2 TYR B 227 -2.949 -0.691 -23.060 1.00 63.41 H new ATOM 0 HH TYR B 227 -4.191 -2.467 -23.494 1.00 41.11 H new ATOM 1506 N THR B 228 3.212 0.757 -20.416 1.00 51.24 N ATOM 1507 CA THR B 228 4.234 1.536 -19.795 1.00 60.41 C ATOM 1508 C THR B 228 3.635 2.790 -19.162 1.00 0.33 C ATOM 1509 O THR B 228 2.923 3.554 -19.809 1.00 20.43 O ATOM 1510 CB THR B 228 5.331 1.909 -20.813 1.00 24.04 C ATOM 1511 OG1 THR B 228 5.759 0.703 -21.475 1.00 45.24 O ATOM 1512 CG2 THR B 228 6.532 2.519 -20.100 1.00 73.13 C ATOM 0 H THR B 228 2.719 1.224 -21.177 1.00 51.24 H new ATOM 0 HA THR B 228 4.693 0.938 -19.008 1.00 60.41 H new ATOM 0 HB THR B 228 4.933 2.632 -21.525 1.00 24.04 H new ATOM 0 HG1 THR B 228 6.456 0.919 -22.129 1.00 45.24 H new ATOM 0 HG21 THR B 228 7.297 2.777 -20.832 1.00 73.13 H new ATOM 0 HG22 THR B 228 6.221 3.418 -19.568 1.00 73.13 H new ATOM 0 HG23 THR B 228 6.938 1.799 -19.389 1.00 73.13 H new ATOM 1520 N ILE B 229 3.886 2.958 -17.901 1.00 13.43 N ATOM 1521 CA ILE B 229 3.421 4.091 -17.164 1.00 62.40 C ATOM 1522 C ILE B 229 4.565 5.049 -16.966 1.00 64.21 C ATOM 1523 O ILE B 229 5.686 4.640 -16.662 1.00 41.32 O ATOM 1524 CB ILE B 229 2.863 3.677 -15.788 1.00 45.34 C ATOM 1525 CG1 ILE B 229 1.708 2.700 -15.975 1.00 14.20 C ATOM 1526 CG2 ILE B 229 2.396 4.916 -15.023 1.00 54.41 C ATOM 1527 CD1 ILE B 229 1.217 2.062 -14.726 1.00 30.14 C ATOM 0 H ILE B 229 4.430 2.299 -17.345 1.00 13.43 H new ATOM 0 HA ILE B 229 2.617 4.563 -17.729 1.00 62.40 H new ATOM 0 HB ILE B 229 3.648 3.187 -15.212 1.00 45.34 H new ATOM 0 HG12 ILE B 229 0.879 3.227 -16.446 1.00 14.20 H new ATOM 0 HG13 ILE B 229 2.022 1.917 -16.666 1.00 14.20 H new ATOM 0 HG21 ILE B 229 2.003 4.617 -14.051 1.00 54.41 H new ATOM 0 HG22 ILE B 229 3.237 5.594 -14.881 1.00 54.41 H new ATOM 0 HG23 ILE B 229 1.615 5.421 -15.591 1.00 54.41 H new ATOM 0 HD11 ILE B 229 0.396 1.385 -14.962 1.00 30.14 H new ATOM 0 HD12 ILE B 229 2.028 1.501 -14.261 1.00 30.14 H new ATOM 0 HD13 ILE B 229 0.867 2.831 -14.038 1.00 30.14 H new ATOM 1539 N THR B 230 4.281 6.288 -17.132 1.00 22.15 N ATOM 1540 CA THR B 230 5.254 7.325 -17.009 1.00 61.02 C ATOM 1541 C THR B 230 4.828 8.363 -15.966 1.00 63.52 C ATOM 1542 O THR B 230 3.941 9.191 -16.201 1.00 11.12 O ATOM 1543 CB THR B 230 5.566 7.987 -18.385 1.00 31.53 C ATOM 1544 OG1 THR B 230 4.339 8.358 -19.048 1.00 14.14 O ATOM 1545 CG2 THR B 230 6.358 7.040 -19.286 1.00 2.31 C ATOM 0 H THR B 230 3.346 6.624 -17.363 1.00 22.15 H new ATOM 0 HA THR B 230 6.179 6.867 -16.658 1.00 61.02 H new ATOM 0 HB THR B 230 6.167 8.877 -18.197 1.00 31.53 H new ATOM 0 HG1 THR B 230 3.722 8.754 -18.397 1.00 14.14 H new ATOM 0 HG21 THR B 230 6.561 7.529 -20.239 1.00 2.31 H new ATOM 0 HG22 THR B 230 7.300 6.781 -18.803 1.00 2.31 H new ATOM 0 HG23 THR B 230 5.778 6.133 -19.460 1.00 2.31 H new ATOM 1553 N GLU B 231 5.425 8.274 -14.817 1.00 25.12 N ATOM 1554 CA GLU B 231 5.203 9.177 -13.740 1.00 54.02 C ATOM 1555 C GLU B 231 6.447 9.967 -13.538 1.00 5.42 C ATOM 1556 O GLU B 231 7.507 9.501 -13.903 1.00 62.24 O ATOM 1557 CB GLU B 231 4.736 8.455 -12.461 1.00 41.02 C ATOM 1558 CG GLU B 231 3.262 8.049 -12.502 1.00 32.33 C ATOM 1559 CD GLU B 231 2.408 9.262 -12.542 1.00 44.22 C ATOM 1560 OE1 GLU B 231 2.141 9.783 -13.651 1.00 53.31 O ATOM 1561 OE2 GLU B 231 1.979 9.735 -11.471 1.00 74.22 O ATOM 0 H GLU B 231 6.103 7.543 -14.600 1.00 25.12 H new ATOM 0 HA GLU B 231 4.386 9.855 -13.987 1.00 54.02 H new ATOM 0 HB2 GLU B 231 5.347 7.565 -12.310 1.00 41.02 H new ATOM 0 HB3 GLU B 231 4.903 9.106 -11.603 1.00 41.02 H new ATOM 0 HG2 GLU B 231 3.070 7.429 -13.378 1.00 32.33 H new ATOM 0 HG3 GLU B 231 3.016 7.449 -11.626 1.00 32.33 H new ATOM 1568 N GLY B 232 6.306 11.198 -13.083 1.00 10.12 N ATOM 1569 CA GLY B 232 7.450 12.060 -12.849 1.00 21.42 C ATOM 1570 C GLY B 232 8.579 11.352 -12.119 1.00 63.44 C ATOM 1571 O GLY B 232 8.468 11.075 -10.913 1.00 5.32 O ATOM 0 H GLY B 232 5.405 11.625 -12.867 1.00 10.12 H new ATOM 0 HA2 GLY B 232 7.819 12.434 -13.804 1.00 21.42 H new ATOM 0 HA3 GLY B 232 7.134 12.926 -12.268 1.00 21.42 H new ATOM 1575 N SER B 233 9.647 11.040 -12.875 1.00 32.30 N ATOM 1576 CA SER B 233 10.835 10.343 -12.381 1.00 54.23 C ATOM 1577 C SER B 233 10.500 8.871 -12.025 1.00 11.13 C ATOM 1578 O SER B 233 11.060 8.300 -11.083 1.00 2.43 O ATOM 1579 CB SER B 233 11.410 11.100 -11.181 1.00 32.21 C ATOM 1580 OG SER B 233 11.652 12.464 -11.528 1.00 62.44 O ATOM 0 H SER B 233 9.704 11.273 -13.866 1.00 32.30 H new ATOM 0 HA SER B 233 11.592 10.318 -13.165 1.00 54.23 H new ATOM 0 HB2 SER B 233 10.716 11.048 -10.342 1.00 32.21 H new ATOM 0 HB3 SER B 233 12.338 10.630 -10.856 1.00 32.21 H new ATOM 0 HG SER B 233 12.018 12.939 -10.753 1.00 62.44 H new ATOM 1586 N LEU B 234 9.607 8.264 -12.800 1.00 72.30 N ATOM 1587 CA LEU B 234 9.182 6.897 -12.574 1.00 32.35 C ATOM 1588 C LEU B 234 8.661 6.262 -13.872 1.00 11.11 C ATOM 1589 O LEU B 234 7.762 6.792 -14.515 1.00 75.12 O ATOM 1590 CB LEU B 234 8.086 6.904 -11.461 1.00 14.20 C ATOM 1591 CG LEU B 234 7.445 5.562 -11.008 1.00 14.54 C ATOM 1592 CD1 LEU B 234 6.420 5.058 -12.006 1.00 21.04 C ATOM 1593 CD2 LEU B 234 8.509 4.499 -10.782 1.00 32.13 C ATOM 0 H LEU B 234 9.161 8.710 -13.601 1.00 72.30 H new ATOM 0 HA LEU B 234 10.028 6.292 -12.248 1.00 32.35 H new ATOM 0 HB2 LEU B 234 8.520 7.373 -10.578 1.00 14.20 H new ATOM 0 HB3 LEU B 234 7.279 7.553 -11.802 1.00 14.20 H new ATOM 0 HG LEU B 234 6.932 5.760 -10.067 1.00 14.54 H new ATOM 0 HD11 LEU B 234 5.997 4.118 -11.650 1.00 21.04 H new ATOM 0 HD12 LEU B 234 5.625 5.796 -12.115 1.00 21.04 H new ATOM 0 HD13 LEU B 234 6.900 4.897 -12.971 1.00 21.04 H new ATOM 0 HD21 LEU B 234 8.034 3.570 -10.466 1.00 32.13 H new ATOM 0 HD22 LEU B 234 9.056 4.329 -11.709 1.00 32.13 H new ATOM 0 HD23 LEU B 234 9.200 4.835 -10.009 1.00 32.13 H new ATOM 1605 N ARG B 235 9.221 5.133 -14.249 1.00 10.44 N ATOM 1606 CA ARG B 235 8.703 4.397 -15.398 1.00 32.35 C ATOM 1607 C ARG B 235 8.340 2.987 -15.027 1.00 73.30 C ATOM 1608 O ARG B 235 9.176 2.232 -14.587 1.00 1.21 O ATOM 1609 CB ARG B 235 9.654 4.408 -16.593 1.00 63.33 C ATOM 1610 CG ARG B 235 9.820 5.761 -17.239 1.00 2.32 C ATOM 1611 CD ARG B 235 10.666 5.662 -18.486 1.00 33.45 C ATOM 1612 NE ARG B 235 10.759 6.950 -19.176 1.00 14.44 N ATOM 1613 CZ ARG B 235 10.964 7.116 -20.489 1.00 12.35 C ATOM 1614 NH1 ARG B 235 11.148 6.059 -21.288 1.00 32.21 N ATOM 1615 NH2 ARG B 235 10.989 8.342 -20.993 1.00 1.15 N ATOM 0 H ARG B 235 10.024 4.704 -13.789 1.00 10.44 H new ATOM 0 HA ARG B 235 7.799 4.921 -15.707 1.00 32.35 H new ATOM 0 HB2 ARG B 235 10.631 4.050 -16.269 1.00 63.33 H new ATOM 0 HB3 ARG B 235 9.289 3.703 -17.340 1.00 63.33 H new ATOM 0 HG2 ARG B 235 8.842 6.171 -17.490 1.00 2.32 H new ATOM 0 HG3 ARG B 235 10.284 6.451 -16.534 1.00 2.32 H new ATOM 0 HD2 ARG B 235 11.666 5.317 -18.222 1.00 33.45 H new ATOM 0 HD3 ARG B 235 10.239 4.918 -19.158 1.00 33.45 H new ATOM 0 HE ARG B 235 10.659 7.792 -18.609 1.00 14.44 H new ATOM 0 HH11 ARG B 235 11.133 5.116 -20.898 1.00 32.21 H new ATOM 0 HH12 ARG B 235 11.303 6.196 -22.287 1.00 32.21 H new ATOM 0 HH21 ARG B 235 10.853 9.147 -20.382 1.00 1.15 H new ATOM 0 HH22 ARG B 235 11.144 8.480 -21.992 1.00 1.15 H new ATOM 1629 N CYS B 236 7.099 2.643 -15.205 1.00 62.44 N ATOM 1630 CA CYS B 236 6.615 1.316 -14.870 1.00 45.42 C ATOM 1631 C CYS B 236 6.146 0.559 -16.102 1.00 32.15 C ATOM 1632 O CYS B 236 5.406 1.078 -16.906 1.00 51.13 O ATOM 1633 CB CYS B 236 5.494 1.402 -13.833 1.00 41.43 C ATOM 1634 SG CYS B 236 6.015 1.889 -12.156 1.00 41.15 S ATOM 0 H CYS B 236 6.386 3.266 -15.585 1.00 62.44 H new ATOM 0 HA CYS B 236 7.449 0.760 -14.442 1.00 45.42 H new ATOM 0 HB2 CYS B 236 4.750 2.116 -14.186 1.00 41.43 H new ATOM 0 HB3 CYS B 236 5.001 0.432 -13.774 1.00 41.43 H new ATOM 1639 N VAL B 237 6.594 -0.655 -16.239 1.00 74.12 N ATOM 1640 CA VAL B 237 6.206 -1.522 -17.330 1.00 74.03 C ATOM 1641 C VAL B 237 5.401 -2.666 -16.749 1.00 45.24 C ATOM 1642 O VAL B 237 5.807 -3.271 -15.760 1.00 71.03 O ATOM 1643 CB VAL B 237 7.438 -2.078 -18.085 1.00 41.44 C ATOM 1644 CG1 VAL B 237 7.014 -2.921 -19.279 1.00 33.40 C ATOM 1645 CG2 VAL B 237 8.355 -0.952 -18.520 1.00 71.21 C ATOM 0 H VAL B 237 7.251 -1.084 -15.588 1.00 74.12 H new ATOM 0 HA VAL B 237 5.617 -0.952 -18.049 1.00 74.03 H new ATOM 0 HB VAL B 237 7.989 -2.722 -17.399 1.00 41.44 H new ATOM 0 HG11 VAL B 237 7.899 -3.299 -19.791 1.00 33.40 H new ATOM 0 HG12 VAL B 237 6.408 -3.760 -18.936 1.00 33.40 H new ATOM 0 HG13 VAL B 237 6.430 -2.310 -19.967 1.00 33.40 H new ATOM 0 HG21 VAL B 237 9.214 -1.366 -19.048 1.00 71.21 H new ATOM 0 HG22 VAL B 237 7.813 -0.276 -19.182 1.00 71.21 H new ATOM 0 HG23 VAL B 237 8.699 -0.403 -17.643 1.00 71.21 H new ATOM 1655 N ILE B 238 4.284 -2.948 -17.345 1.00 51.03 N ATOM 1656 CA ILE B 238 3.352 -3.917 -16.818 1.00 42.03 C ATOM 1657 C ILE B 238 3.203 -5.075 -17.771 1.00 50.42 C ATOM 1658 O ILE B 238 2.824 -4.877 -18.908 1.00 10.23 O ATOM 1659 CB ILE B 238 1.970 -3.264 -16.702 1.00 43.32 C ATOM 1660 CG1 ILE B 238 2.073 -1.958 -15.935 1.00 71.12 C ATOM 1661 CG2 ILE B 238 0.987 -4.217 -16.007 1.00 54.33 C ATOM 1662 CD1 ILE B 238 0.832 -1.132 -16.018 1.00 34.02 C ATOM 0 H ILE B 238 3.984 -2.513 -18.218 1.00 51.03 H new ATOM 0 HA ILE B 238 3.724 -4.261 -15.853 1.00 42.03 H new ATOM 0 HB ILE B 238 1.596 -3.052 -17.704 1.00 43.32 H new ATOM 0 HG12 ILE B 238 2.290 -2.174 -14.889 1.00 71.12 H new ATOM 0 HG13 ILE B 238 2.913 -1.381 -16.322 1.00 71.12 H new ATOM 0 HG21 ILE B 238 0.010 -3.740 -15.931 1.00 54.33 H new ATOM 0 HG22 ILE B 238 0.899 -5.135 -16.587 1.00 54.33 H new ATOM 0 HG23 ILE B 238 1.354 -4.453 -15.008 1.00 54.33 H new ATOM 0 HD11 ILE B 238 0.969 -0.212 -15.450 1.00 34.02 H new ATOM 0 HD12 ILE B 238 0.627 -0.888 -17.060 1.00 34.02 H new ATOM 0 HD13 ILE B 238 -0.006 -1.693 -15.605 1.00 34.02 H new ATOM 1674 N PHE B 239 3.499 -6.251 -17.301 1.00 54.25 N ATOM 1675 CA PHE B 239 3.310 -7.466 -18.061 1.00 71.42 C ATOM 1676 C PHE B 239 2.043 -8.136 -17.611 1.00 40.23 C ATOM 1677 O PHE B 239 1.934 -8.527 -16.437 1.00 15.21 O ATOM 1678 CB PHE B 239 4.461 -8.451 -17.843 1.00 75.41 C ATOM 1679 CG PHE B 239 5.781 -8.058 -18.433 1.00 14.43 C ATOM 1680 CD1 PHE B 239 6.550 -7.037 -17.886 1.00 61.55 C ATOM 1681 CD2 PHE B 239 6.259 -8.735 -19.538 1.00 13.50 C ATOM 1682 CE1 PHE B 239 7.773 -6.703 -18.447 1.00 72.13 C ATOM 1683 CE2 PHE B 239 7.465 -8.413 -20.102 1.00 13.43 C ATOM 1684 CZ PHE B 239 8.232 -7.393 -19.560 1.00 42.41 C ATOM 0 H PHE B 239 3.884 -6.402 -16.368 1.00 54.25 H new ATOM 0 HA PHE B 239 3.267 -7.195 -19.116 1.00 71.42 H new ATOM 0 HB2 PHE B 239 4.593 -8.594 -16.770 1.00 75.41 H new ATOM 0 HB3 PHE B 239 4.172 -9.416 -18.260 1.00 75.41 H new ATOM 0 HD1 PHE B 239 6.193 -6.501 -17.019 1.00 61.55 H new ATOM 0 HD2 PHE B 239 5.671 -9.533 -19.965 1.00 13.50 H new ATOM 0 HE1 PHE B 239 8.366 -5.909 -18.019 1.00 72.13 H new ATOM 0 HE2 PHE B 239 7.818 -8.953 -20.968 1.00 13.43 H new ATOM 0 HZ PHE B 239 9.183 -7.136 -20.002 1.00 42.41 H new ATOM 1694 N ILE B 240 1.092 -8.267 -18.497 1.00 24.33 N ATOM 1695 CA ILE B 240 -0.115 -8.981 -18.157 1.00 14.23 C ATOM 1696 C ILE B 240 0.111 -10.398 -18.561 1.00 73.11 C ATOM 1697 O ILE B 240 0.341 -10.667 -19.734 1.00 55.32 O ATOM 1698 CB ILE B 240 -1.365 -8.479 -18.930 1.00 43.13 C ATOM 1699 CG1 ILE B 240 -1.466 -6.958 -18.882 1.00 55.31 C ATOM 1700 CG2 ILE B 240 -2.633 -9.124 -18.368 1.00 52.44 C ATOM 1701 CD1 ILE B 240 -2.782 -6.410 -19.390 1.00 72.33 C ATOM 0 H ILE B 240 1.125 -7.896 -19.447 1.00 24.33 H new ATOM 0 HA ILE B 240 -0.309 -8.841 -17.094 1.00 14.23 H new ATOM 0 HB ILE B 240 -1.260 -8.773 -19.974 1.00 43.13 H new ATOM 0 HG12 ILE B 240 -1.320 -6.627 -17.854 1.00 55.31 H new ATOM 0 HG13 ILE B 240 -0.655 -6.532 -19.473 1.00 55.31 H new ATOM 0 HG21 ILE B 240 -3.501 -8.762 -18.920 1.00 52.44 H new ATOM 0 HG22 ILE B 240 -2.565 -10.207 -18.468 1.00 52.44 H new ATOM 0 HG23 ILE B 240 -2.738 -8.863 -17.315 1.00 52.44 H new ATOM 0 HD11 ILE B 240 -2.773 -5.322 -19.322 1.00 72.33 H new ATOM 0 HD12 ILE B 240 -2.923 -6.708 -20.429 1.00 72.33 H new ATOM 0 HD13 ILE B 240 -3.598 -6.805 -18.785 1.00 72.33 H new ATOM 1713 N THR B 241 0.081 -11.308 -17.627 1.00 14.31 N ATOM 1714 CA THR B 241 0.309 -12.657 -17.973 1.00 30.45 C ATOM 1715 C THR B 241 -0.841 -13.511 -17.495 1.00 63.11 C ATOM 1716 O THR B 241 -1.569 -13.121 -16.592 1.00 31.11 O ATOM 1717 CB THR B 241 1.637 -13.207 -17.405 1.00 50.24 C ATOM 1718 OG1 THR B 241 1.571 -13.320 -15.978 1.00 74.51 O ATOM 1719 CG2 THR B 241 2.814 -12.309 -17.752 1.00 21.25 C ATOM 0 H THR B 241 -0.097 -11.131 -16.638 1.00 14.31 H new ATOM 0 HA THR B 241 0.384 -12.697 -19.060 1.00 30.45 H new ATOM 0 HB THR B 241 1.785 -14.188 -17.857 1.00 50.24 H new ATOM 0 HG1 THR B 241 0.800 -12.814 -15.645 1.00 74.51 H new ATOM 0 HG21 THR B 241 3.729 -12.730 -17.335 1.00 21.25 H new ATOM 0 HG22 THR B 241 2.909 -12.236 -18.835 1.00 21.25 H new ATOM 0 HG23 THR B 241 2.649 -11.316 -17.335 1.00 21.25 H new ATOM 1727 N LYS B 242 -0.991 -14.678 -18.071 1.00 30.12 N ATOM 1728 CA LYS B 242 -2.094 -15.563 -17.687 1.00 31.12 C ATOM 1729 C LYS B 242 -1.874 -16.287 -16.344 1.00 1.11 C ATOM 1730 O LYS B 242 -2.654 -17.158 -15.948 1.00 42.42 O ATOM 1731 CB LYS B 242 -2.553 -16.493 -18.843 1.00 21.40 C ATOM 1732 CG LYS B 242 -1.479 -17.308 -19.561 1.00 4.43 C ATOM 1733 CD LYS B 242 -0.754 -18.248 -18.633 1.00 63.32 C ATOM 1734 CE LYS B 242 0.177 -19.182 -19.374 1.00 42.23 C ATOM 1735 NZ LYS B 242 1.250 -18.478 -20.111 1.00 24.34 N ATOM 0 H LYS B 242 -0.379 -15.046 -18.799 1.00 30.12 H new ATOM 0 HA LYS B 242 -2.942 -14.906 -17.496 1.00 31.12 H new ATOM 0 HB2 LYS B 242 -3.291 -17.188 -18.443 1.00 21.40 H new ATOM 0 HB3 LYS B 242 -3.063 -15.880 -19.586 1.00 21.40 H new ATOM 0 HG2 LYS B 242 -1.939 -17.880 -20.367 1.00 4.43 H new ATOM 0 HG3 LYS B 242 -0.760 -16.630 -20.022 1.00 4.43 H new ATOM 0 HD2 LYS B 242 -0.183 -17.669 -17.907 1.00 63.32 H new ATOM 0 HD3 LYS B 242 -1.482 -18.834 -18.072 1.00 63.32 H new ATOM 0 HE2 LYS B 242 0.628 -19.874 -18.662 1.00 42.23 H new ATOM 0 HE3 LYS B 242 -0.404 -19.781 -20.076 1.00 42.23 H new ATOM 0 HZ1 LYS B 242 1.862 -19.174 -20.582 1.00 24.34 H new ATOM 0 HZ2 LYS B 242 0.827 -17.850 -20.824 1.00 24.34 H new ATOM 0 HZ3 LYS B 242 1.816 -17.914 -19.445 1.00 24.34 H new ATOM 1749 N ARG B 243 -0.824 -15.906 -15.641 1.00 35.31 N ATOM 1750 CA ARG B 243 -0.543 -16.438 -14.320 1.00 22.42 C ATOM 1751 C ARG B 243 -0.283 -15.301 -13.346 1.00 41.05 C ATOM 1752 O ARG B 243 0.241 -15.501 -12.259 1.00 54.34 O ATOM 1753 CB ARG B 243 0.636 -17.414 -14.348 1.00 41.54 C ATOM 1754 CG ARG B 243 0.373 -18.667 -15.156 1.00 10.54 C ATOM 1755 CD ARG B 243 1.573 -19.581 -15.166 1.00 13.21 C ATOM 1756 NE ARG B 243 1.346 -20.790 -15.966 1.00 42.05 N ATOM 1757 CZ ARG B 243 2.274 -21.727 -16.206 1.00 10.33 C ATOM 1758 NH1 ARG B 243 3.481 -21.627 -15.647 1.00 33.15 N ATOM 1759 NH2 ARG B 243 1.990 -22.769 -16.981 1.00 5.44 N ATOM 0 H ARG B 243 -0.143 -15.221 -15.968 1.00 35.31 H new ATOM 0 HA ARG B 243 -1.417 -16.996 -13.984 1.00 22.42 H new ATOM 0 HB2 ARG B 243 1.508 -16.904 -14.759 1.00 41.54 H new ATOM 0 HB3 ARG B 243 0.885 -17.698 -13.325 1.00 41.54 H new ATOM 0 HG2 ARG B 243 -0.485 -19.196 -14.740 1.00 10.54 H new ATOM 0 HG3 ARG B 243 0.114 -18.394 -16.179 1.00 10.54 H new ATOM 0 HD2 ARG B 243 2.434 -19.042 -15.562 1.00 13.21 H new ATOM 0 HD3 ARG B 243 1.818 -19.866 -14.143 1.00 13.21 H new ATOM 0 HE ARG B 243 0.418 -20.927 -16.367 1.00 42.05 H new ATOM 0 HH11 ARG B 243 3.697 -20.838 -15.038 1.00 33.15 H new ATOM 0 HH12 ARG B 243 4.188 -22.339 -15.829 1.00 33.15 H new ATOM 0 HH21 ARG B 243 1.063 -22.858 -17.396 1.00 5.44 H new ATOM 0 HH22 ARG B 243 2.700 -23.479 -17.161 1.00 5.44 H new ATOM 1773 N GLY B 244 -0.646 -14.106 -13.733 1.00 0.35 N ATOM 1774 CA GLY B 244 -0.496 -12.997 -12.843 1.00 30.41 C ATOM 1775 C GLY B 244 0.049 -11.793 -13.520 1.00 54.14 C ATOM 1776 O GLY B 244 -0.078 -11.642 -14.731 1.00 3.13 O ATOM 0 H GLY B 244 -1.042 -13.882 -14.646 1.00 0.35 H new ATOM 0 HA2 GLY B 244 -1.463 -12.755 -12.403 1.00 30.41 H new ATOM 0 HA3 GLY B 244 0.165 -13.280 -12.024 1.00 30.41 H new ATOM 1780 N LEU B 245 0.684 -10.949 -12.772 1.00 0.11 N ATOM 1781 CA LEU B 245 1.171 -9.693 -13.317 1.00 70.31 C ATOM 1782 C LEU B 245 2.593 -9.436 -12.900 1.00 32.12 C ATOM 1783 O LEU B 245 3.046 -9.910 -11.850 1.00 14.04 O ATOM 1784 CB LEU B 245 0.311 -8.476 -12.863 1.00 72.30 C ATOM 1785 CG LEU B 245 -1.174 -8.396 -13.300 1.00 61.20 C ATOM 1786 CD1 LEU B 245 -1.341 -8.549 -14.798 1.00 61.41 C ATOM 1787 CD2 LEU B 245 -2.086 -9.336 -12.516 1.00 52.33 C ATOM 0 H LEU B 245 0.884 -11.093 -11.782 1.00 0.11 H new ATOM 0 HA LEU B 245 1.104 -9.794 -14.400 1.00 70.31 H new ATOM 0 HB2 LEU B 245 0.335 -8.445 -11.774 1.00 72.30 H new ATOM 0 HB3 LEU B 245 0.807 -7.573 -13.218 1.00 72.30 H new ATOM 0 HG LEU B 245 -1.502 -7.388 -13.047 1.00 61.20 H new ATOM 0 HD11 LEU B 245 -2.399 -8.486 -15.055 1.00 61.41 H new ATOM 0 HD12 LEU B 245 -0.796 -7.755 -15.308 1.00 61.41 H new ATOM 0 HD13 LEU B 245 -0.949 -9.517 -15.111 1.00 61.41 H new ATOM 0 HD21 LEU B 245 -3.111 -9.230 -12.872 1.00 52.33 H new ATOM 0 HD22 LEU B 245 -1.757 -10.365 -12.659 1.00 52.33 H new ATOM 0 HD23 LEU B 245 -2.042 -9.085 -11.456 1.00 52.33 H new ATOM 1799 N LYS B 246 3.289 -8.702 -13.711 1.00 42.05 N ATOM 1800 CA LYS B 246 4.619 -8.253 -13.391 1.00 51.14 C ATOM 1801 C LYS B 246 4.660 -6.780 -13.635 1.00 40.13 C ATOM 1802 O LYS B 246 4.252 -6.319 -14.692 1.00 45.14 O ATOM 1803 CB LYS B 246 5.699 -8.874 -14.280 1.00 2.01 C ATOM 1804 CG LYS B 246 7.119 -8.437 -13.882 1.00 51.44 C ATOM 1805 CD LYS B 246 8.111 -8.530 -15.037 1.00 31.41 C ATOM 1806 CE LYS B 246 8.232 -9.916 -15.624 1.00 71.32 C ATOM 1807 NZ LYS B 246 8.765 -10.898 -14.644 1.00 22.05 N ATOM 0 H LYS B 246 2.952 -8.392 -14.623 1.00 42.05 H new ATOM 0 HA LYS B 246 4.823 -8.540 -12.359 1.00 51.14 H new ATOM 0 HB2 LYS B 246 5.629 -9.960 -14.225 1.00 2.01 H new ATOM 0 HB3 LYS B 246 5.515 -8.595 -15.317 1.00 2.01 H new ATOM 0 HG2 LYS B 246 7.089 -7.411 -13.516 1.00 51.44 H new ATOM 0 HG3 LYS B 246 7.468 -9.059 -13.058 1.00 51.44 H new ATOM 0 HD2 LYS B 246 7.807 -7.838 -15.822 1.00 31.41 H new ATOM 0 HD3 LYS B 246 9.092 -8.206 -14.689 1.00 31.41 H new ATOM 0 HE2 LYS B 246 7.254 -10.248 -15.972 1.00 71.32 H new ATOM 0 HE3 LYS B 246 8.886 -9.884 -16.495 1.00 71.32 H new ATOM 0 HZ1 LYS B 246 8.862 -11.827 -15.101 1.00 22.05 H new ATOM 0 HZ2 LYS B 246 9.695 -10.580 -14.305 1.00 22.05 H new ATOM 0 HZ3 LYS B 246 8.111 -10.975 -13.839 1.00 22.05 H new ATOM 1821 N VAL B 247 5.130 -6.056 -12.700 1.00 55.44 N ATOM 1822 CA VAL B 247 5.296 -4.658 -12.880 1.00 52.04 C ATOM 1823 C VAL B 247 6.749 -4.314 -12.626 1.00 51.35 C ATOM 1824 O VAL B 247 7.337 -4.727 -11.624 1.00 31.24 O ATOM 1825 CB VAL B 247 4.329 -3.818 -11.993 1.00 11.44 C ATOM 1826 CG1 VAL B 247 4.538 -4.093 -10.516 1.00 62.43 C ATOM 1827 CG2 VAL B 247 4.464 -2.333 -12.301 1.00 24.45 C ATOM 0 H VAL B 247 5.413 -6.407 -11.785 1.00 55.44 H new ATOM 0 HA VAL B 247 5.033 -4.398 -13.905 1.00 52.04 H new ATOM 0 HB VAL B 247 3.311 -4.124 -12.236 1.00 11.44 H new ATOM 0 HG11 VAL B 247 3.845 -3.488 -9.932 1.00 62.43 H new ATOM 0 HG12 VAL B 247 4.358 -5.149 -10.313 1.00 62.43 H new ATOM 0 HG13 VAL B 247 5.562 -3.840 -10.240 1.00 62.43 H new ATOM 0 HG21 VAL B 247 3.779 -1.767 -11.670 1.00 24.45 H new ATOM 0 HG22 VAL B 247 5.487 -2.012 -12.105 1.00 24.45 H new ATOM 0 HG23 VAL B 247 4.222 -2.155 -13.349 1.00 24.45 H new ATOM 1837 N CYS B 248 7.338 -3.637 -13.535 1.00 51.31 N ATOM 1838 CA CYS B 248 8.705 -3.288 -13.398 1.00 51.41 C ATOM 1839 C CYS B 248 8.833 -1.817 -13.428 1.00 52.31 C ATOM 1840 O CYS B 248 8.393 -1.184 -14.368 1.00 43.13 O ATOM 1841 CB CYS B 248 9.547 -3.915 -14.492 1.00 3.12 C ATOM 1842 SG CYS B 248 11.328 -3.636 -14.264 1.00 53.10 S ATOM 0 H CYS B 248 6.893 -3.309 -14.392 1.00 51.31 H new ATOM 0 HA CYS B 248 9.071 -3.670 -12.445 1.00 51.41 H new ATOM 0 HB2 CYS B 248 9.354 -4.987 -14.522 1.00 3.12 H new ATOM 0 HB3 CYS B 248 9.242 -3.509 -15.456 1.00 3.12 H new ATOM 1847 N CYS B 249 9.423 -1.264 -12.425 1.00 22.13 N ATOM 1848 CA CYS B 249 9.505 0.148 -12.354 1.00 11.21 C ATOM 1849 C CYS B 249 10.927 0.626 -12.242 1.00 63.44 C ATOM 1850 O CYS B 249 11.729 0.098 -11.465 1.00 54.21 O ATOM 1851 CB CYS B 249 8.645 0.673 -11.211 1.00 4.32 C ATOM 1852 SG CYS B 249 6.875 0.231 -11.361 1.00 32.14 S ATOM 0 H CYS B 249 9.853 -1.767 -11.648 1.00 22.13 H new ATOM 0 HA CYS B 249 9.115 0.552 -13.288 1.00 11.21 H new ATOM 0 HB2 CYS B 249 9.030 0.282 -10.269 1.00 4.32 H new ATOM 0 HB3 CYS B 249 8.737 1.758 -11.167 1.00 4.32 H new ATOM 1857 N ASP B 250 11.227 1.610 -13.028 1.00 12.41 N ATOM 1858 CA ASP B 250 12.497 2.251 -13.025 1.00 72.40 C ATOM 1859 C ASP B 250 12.247 3.692 -12.621 1.00 43.55 C ATOM 1860 O ASP B 250 11.700 4.474 -13.393 1.00 33.24 O ATOM 1861 CB ASP B 250 13.133 2.231 -14.431 1.00 54.40 C ATOM 1862 CG ASP B 250 14.599 2.692 -14.461 1.00 61.32 C ATOM 1863 OD1 ASP B 250 14.986 3.584 -13.691 1.00 43.55 O ATOM 1864 OD2 ASP B 250 15.387 2.143 -15.268 1.00 74.14 O ATOM 0 H ASP B 250 10.574 1.999 -13.708 1.00 12.41 H new ATOM 0 HA ASP B 250 13.177 1.739 -12.344 1.00 72.40 H new ATOM 0 HB2 ASP B 250 13.073 1.219 -14.831 1.00 54.40 H new ATOM 0 HB3 ASP B 250 12.548 2.871 -15.092 1.00 54.40 H new ATOM 1869 N PRO B 251 12.582 4.047 -11.392 1.00 3.45 N ATOM 1870 CA PRO B 251 12.459 5.426 -10.861 1.00 2.32 C ATOM 1871 C PRO B 251 13.535 6.355 -11.446 1.00 24.40 C ATOM 1872 O PRO B 251 13.889 7.386 -10.848 1.00 61.43 O ATOM 1873 CB PRO B 251 12.707 5.255 -9.353 1.00 13.54 C ATOM 1874 CG PRO B 251 12.762 3.786 -9.113 1.00 4.51 C ATOM 1875 CD PRO B 251 13.109 3.145 -10.415 1.00 13.23 C ATOM 0 HA PRO B 251 11.495 5.872 -11.108 1.00 2.32 H new ATOM 0 HB2 PRO B 251 13.639 5.735 -9.053 1.00 13.54 H new ATOM 0 HB3 PRO B 251 11.909 5.716 -8.771 1.00 13.54 H new ATOM 0 HG2 PRO B 251 13.507 3.547 -8.354 1.00 4.51 H new ATOM 0 HG3 PRO B 251 11.804 3.419 -8.745 1.00 4.51 H new ATOM 0 HD2 PRO B 251 14.186 3.021 -10.525 1.00 13.23 H new ATOM 0 HD3 PRO B 251 12.664 2.154 -10.504 1.00 13.23 H new