USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 327 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 369 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.28) USER MOD Set 1.2: A 371 THR OG1 : rot 170:sc= 0.056 USER MOD Set 2.1: A 338 THR OG1 : rot 170:sc=-0.000501 USER MOD Set 2.2: A 368 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.4) USER MOD Set 3.1: A 346 CYS SG : rot 161:sc= -4.24! USER MOD Set 3.2: A 349 CYS SG : rot -44:sc= -1.31 USER MOD Set 3.3: A 367 HIS : no HD1:sc= -13.1! C(o=-20!,f=-35!) USER MOD Set 3.4: A 370 CYS SG : rot -150:sc= -1.57 USER MOD Set 4.1: A 334 HIS : no HE2:sc= -5.62! C(o=-27!,f=-34!) USER MOD Set 4.2: A 359 CYS SG : rot -142:sc= -9.57! USER MOD Set 4.3: A 362 CYS SG : rot 138:sc= -2.35 USER MOD Set 4.4: A 377 CYS SG : rot -173:sc= -9.8! USER MOD Set 5.1: A 344 GLN : amide:sc= -0.0208 K(o=-0.046,f=-0.72) USER MOD Set 5.2: A 347 ASN : amide:sc= -0.0248 K(o=-0.046,f=-0.77) USER MOD Single : A 337 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot -51:sc= 0.752 USER MOD Single : A 350 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.0041) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 SER OG : rot 56:sc= 0.0318 USER MOD Single : A 353 MET CE :methyl 169:sc= -0.238 (180deg=-0.583) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ -173:sc= -2.19 (180deg=-2.3) USER MOD Single : A 361 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.29) USER MOD Single : A 365 LYS NZ :NH3+ 164:sc= 0.55 (180deg=0.227) USER MOD Single : A 366 CYS SG : rot -45:sc= -3.83! USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 79.948 2.362 -10.808 1.00 0.00 N ATOM 52 CA HIS A 334 79.484 1.033 -10.424 1.00 0.00 C ATOM 53 C HIS A 334 78.055 1.099 -9.896 1.00 0.00 C ATOM 54 O HIS A 334 77.617 2.136 -9.398 1.00 0.00 O ATOM 55 CB HIS A 334 80.408 0.424 -9.361 1.00 0.00 C ATOM 56 CG HIS A 334 81.859 0.756 -9.552 1.00 0.00 C ATOM 57 ND1 HIS A 334 82.783 0.531 -8.558 1.00 0.00 N ATOM 58 CD2 HIS A 334 82.486 1.300 -10.625 1.00 0.00 C ATOM 59 CE1 HIS A 334 83.941 0.944 -9.046 1.00 0.00 C ATOM 60 NE2 HIS A 334 83.810 1.416 -10.294 1.00 0.00 N ATOM 0 HA HIS A 334 79.503 0.397 -11.309 1.00 0.00 H new ATOM 0 HB2 HIS A 334 80.092 0.772 -8.377 1.00 0.00 H new ATOM 0 HB3 HIS A 334 80.290 -0.660 -9.369 1.00 0.00 H new ATOM 0 HD1 HIS A 334 82.611 0.129 -7.636 1.00 0.00 H new ATOM 0 HD2 HIS A 334 82.029 1.587 -11.561 1.00 0.00 H new ATOM 0 HE1 HIS A 334 84.876 0.906 -8.506 1.00 0.00 H new ATOM 68 N ARG A 335 77.329 -0.009 -10.009 1.00 0.00 N ATOM 69 CA ARG A 335 75.949 -0.060 -9.541 1.00 0.00 C ATOM 70 C ARG A 335 75.874 -0.610 -8.123 1.00 0.00 C ATOM 71 O ARG A 335 76.230 -1.760 -7.866 1.00 0.00 O ATOM 72 CB ARG A 335 75.095 -0.909 -10.487 1.00 0.00 C ATOM 73 CG ARG A 335 73.718 -1.252 -9.938 1.00 0.00 C ATOM 74 CD ARG A 335 73.679 -2.661 -9.370 1.00 0.00 C ATOM 75 NE ARG A 335 72.404 -3.324 -9.635 1.00 0.00 N ATOM 76 CZ ARG A 335 71.268 -3.022 -9.011 1.00 0.00 C ATOM 77 NH1 ARG A 335 71.243 -2.070 -8.086 1.00 0.00 N ATOM 78 NH2 ARG A 335 70.153 -3.673 -9.312 1.00 0.00 N ATOM 0 H ARG A 335 77.671 -0.879 -10.418 1.00 0.00 H new ATOM 0 HA ARG A 335 75.557 0.957 -9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 335 74.976 -0.376 -11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 335 75.627 -1.834 -10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 335 73.447 -0.538 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 335 72.976 -1.158 -10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 335 74.489 -3.248 -9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 335 73.851 -2.623 -8.294 1.00 0.00 H new ATOM 0 HE ARG A 335 72.384 -4.061 -10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 335 72.098 -1.566 -7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 335 70.369 -1.843 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 335 70.166 -4.405 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 335 69.282 -3.442 -8.834 1.00 0.00 H new ATOM 92 N PHE A 336 75.411 0.231 -7.209 1.00 0.00 N ATOM 93 CA PHE A 336 75.281 -0.124 -5.819 1.00 0.00 C ATOM 94 C PHE A 336 73.820 -0.404 -5.461 1.00 0.00 C ATOM 95 O PHE A 336 72.908 0.159 -6.065 1.00 0.00 O ATOM 96 CB PHE A 336 75.800 1.043 -4.989 1.00 0.00 C ATOM 97 CG PHE A 336 77.141 0.816 -4.348 1.00 0.00 C ATOM 98 CD1 PHE A 336 77.366 -0.291 -3.549 1.00 0.00 C ATOM 99 CD2 PHE A 336 78.174 1.720 -4.542 1.00 0.00 C ATOM 100 CE1 PHE A 336 78.599 -0.495 -2.953 1.00 0.00 C ATOM 101 CE2 PHE A 336 79.407 1.522 -3.950 1.00 0.00 C ATOM 102 CZ PHE A 336 79.620 0.414 -3.154 1.00 0.00 C ATOM 0 H PHE A 336 75.115 1.184 -7.421 1.00 0.00 H new ATOM 0 HA PHE A 336 75.853 -1.029 -5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 336 75.863 1.924 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 336 75.073 1.266 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 336 76.571 -1.004 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 336 78.013 2.589 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 336 78.762 -1.363 -2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 336 80.204 2.234 -4.110 1.00 0.00 H new ATOM 0 HZ PHE A 336 80.583 0.258 -2.690 1.00 0.00 H new ATOM 112 N SER A 337 73.605 -1.261 -4.467 1.00 0.00 N ATOM 113 CA SER A 337 72.247 -1.590 -4.026 1.00 0.00 C ATOM 114 C SER A 337 72.151 -1.564 -2.500 1.00 0.00 C ATOM 115 O SER A 337 72.943 -2.200 -1.815 1.00 0.00 O ATOM 116 CB SER A 337 71.837 -2.968 -4.550 1.00 0.00 C ATOM 117 OG SER A 337 72.491 -3.264 -5.772 1.00 0.00 O ATOM 0 H SER A 337 74.345 -1.739 -3.953 1.00 0.00 H new ATOM 0 HA SER A 337 71.568 -0.839 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 337 72.081 -3.730 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 337 70.757 -2.999 -4.695 1.00 0.00 H new ATOM 0 HG SER A 337 72.214 -4.150 -6.085 1.00 0.00 H new ATOM 123 N THR A 338 71.178 -0.824 -1.970 1.00 0.00 N ATOM 124 CA THR A 338 71.009 -0.723 -0.521 1.00 0.00 C ATOM 125 C THR A 338 70.235 -1.906 0.048 1.00 0.00 C ATOM 126 O THR A 338 69.291 -2.408 -0.563 1.00 0.00 O ATOM 127 CB THR A 338 70.299 0.580 -0.141 1.00 0.00 C ATOM 128 OG1 THR A 338 71.051 1.703 -0.564 1.00 0.00 O ATOM 129 CG2 THR A 338 70.061 0.721 1.354 1.00 0.00 C ATOM 0 H THR A 338 70.501 -0.291 -2.516 1.00 0.00 H new ATOM 0 HA THR A 338 72.010 -0.729 -0.089 1.00 0.00 H new ATOM 0 HB THR A 338 69.333 0.540 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 338 70.513 2.515 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 338 69.555 1.665 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 338 69.441 -0.104 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 338 71.017 0.703 1.878 1.00 0.00 H new ATOM 137 N LYS A 339 70.648 -2.330 1.235 1.00 0.00 N ATOM 138 CA LYS A 339 70.016 -3.438 1.932 1.00 0.00 C ATOM 139 C LYS A 339 70.033 -3.183 3.436 1.00 0.00 C ATOM 140 O LYS A 339 71.036 -2.712 3.983 1.00 0.00 O ATOM 141 CB LYS A 339 70.734 -4.751 1.613 1.00 0.00 C ATOM 142 CG LYS A 339 70.969 -4.970 0.127 1.00 0.00 C ATOM 143 CD LYS A 339 69.667 -5.242 -0.608 1.00 0.00 C ATOM 144 CE LYS A 339 69.786 -4.921 -2.089 1.00 0.00 C ATOM 145 NZ LYS A 339 68.509 -5.164 -2.815 1.00 0.00 N ATOM 0 H LYS A 339 71.431 -1.914 1.740 1.00 0.00 H new ATOM 0 HA LYS A 339 68.982 -3.519 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 339 71.693 -4.766 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 339 70.147 -5.581 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 339 71.452 -4.091 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 339 71.650 -5.809 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 339 69.389 -6.288 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 339 68.868 -4.645 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 339 70.081 -3.879 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 339 70.576 -5.530 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 68.633 -4.933 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 68.240 -6.164 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 67.761 -4.565 -2.412 1.00 0.00 H new ATOM 159 N SER A 340 68.919 -3.485 4.096 1.00 0.00 N ATOM 160 CA SER A 340 68.803 -3.281 5.536 1.00 0.00 C ATOM 161 C SER A 340 68.557 -4.600 6.267 1.00 0.00 C ATOM 162 O SER A 340 68.221 -4.608 7.451 1.00 0.00 O ATOM 163 CB SER A 340 67.669 -2.300 5.840 1.00 0.00 C ATOM 164 OG SER A 340 67.355 -2.293 7.222 1.00 0.00 O ATOM 0 H SER A 340 68.084 -3.872 3.657 1.00 0.00 H new ATOM 0 HA SER A 340 69.746 -2.866 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 340 67.958 -1.297 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 340 66.784 -2.573 5.265 1.00 0.00 H new ATOM 0 HG SER A 340 67.220 -3.213 7.531 1.00 0.00 H new ATOM 224 N GLN A 344 75.040 -6.373 8.302 1.00 0.00 N ATOM 225 CA GLN A 344 75.999 -5.984 9.334 1.00 0.00 C ATOM 226 C GLN A 344 76.131 -4.465 9.414 1.00 0.00 C ATOM 227 O GLN A 344 75.408 -3.731 8.741 1.00 0.00 O ATOM 228 CB GLN A 344 77.370 -6.609 9.052 1.00 0.00 C ATOM 229 CG GLN A 344 77.778 -6.549 7.589 1.00 0.00 C ATOM 230 CD GLN A 344 79.279 -6.436 7.407 1.00 0.00 C ATOM 231 OE1 GLN A 344 79.831 -5.336 7.364 1.00 0.00 O ATOM 232 NE2 GLN A 344 79.950 -7.578 7.298 1.00 0.00 N ATOM 0 HA GLN A 344 75.628 -6.351 10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 344 78.123 -6.098 9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 344 77.358 -7.650 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 344 77.420 -7.443 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 344 77.293 -5.696 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 344 79.453 -8.468 7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 344 80.962 -7.565 7.173 1.00 0.00 H new ATOM 241 N VAL A 345 77.062 -4.003 10.244 1.00 0.00 N ATOM 242 CA VAL A 345 77.300 -2.576 10.421 1.00 0.00 C ATOM 243 C VAL A 345 78.093 -2.003 9.246 1.00 0.00 C ATOM 244 O VAL A 345 78.987 -2.661 8.714 1.00 0.00 O ATOM 245 CB VAL A 345 78.063 -2.301 11.733 1.00 0.00 C ATOM 246 CG1 VAL A 345 79.438 -2.952 11.703 1.00 0.00 C ATOM 247 CG2 VAL A 345 78.175 -0.804 11.990 1.00 0.00 C ATOM 0 H VAL A 345 77.667 -4.601 10.807 1.00 0.00 H new ATOM 0 HA VAL A 345 76.326 -2.088 10.466 1.00 0.00 H new ATOM 0 HB VAL A 345 77.498 -2.742 12.554 1.00 0.00 H new ATOM 0 HG11 VAL A 345 79.959 -2.745 12.638 1.00 0.00 H new ATOM 0 HG12 VAL A 345 79.328 -4.029 11.579 1.00 0.00 H new ATOM 0 HG13 VAL A 345 80.014 -2.548 10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 345 78.717 -0.634 12.920 1.00 0.00 H new ATOM 0 HG22 VAL A 345 78.711 -0.333 11.167 1.00 0.00 H new ATOM 0 HG23 VAL A 345 77.177 -0.372 12.067 1.00 0.00 H new ATOM 257 N CYS A 346 77.750 -0.776 8.848 1.00 0.00 N ATOM 258 CA CYS A 346 78.413 -0.089 7.732 1.00 0.00 C ATOM 259 C CYS A 346 79.892 -0.476 7.619 1.00 0.00 C ATOM 260 O CYS A 346 80.575 -0.648 8.629 1.00 0.00 O ATOM 261 CB CYS A 346 78.276 1.427 7.911 1.00 0.00 C ATOM 262 SG CYS A 346 79.084 2.417 6.611 1.00 0.00 S ATOM 0 H CYS A 346 77.008 -0.231 9.287 1.00 0.00 H new ATOM 0 HA CYS A 346 77.925 -0.399 6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 346 77.217 1.683 7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 346 78.697 1.706 8.877 1.00 0.00 H new ATOM 0 HG CYS A 346 78.597 3.622 6.618 1.00 0.00 H new ATOM 267 N ASN A 347 80.376 -0.617 6.384 1.00 0.00 N ATOM 268 CA ASN A 347 81.770 -0.991 6.143 1.00 0.00 C ATOM 269 C ASN A 347 82.663 0.238 5.987 1.00 0.00 C ATOM 270 O ASN A 347 83.703 0.181 5.330 1.00 0.00 O ATOM 271 CB ASN A 347 81.887 -1.865 4.892 1.00 0.00 C ATOM 272 CG ASN A 347 81.994 -3.340 5.223 1.00 0.00 C ATOM 273 OD1 ASN A 347 80.997 -4.063 5.218 1.00 0.00 O ATOM 274 ND2 ASN A 347 83.207 -3.795 5.514 1.00 0.00 N ATOM 0 H ASN A 347 79.825 -0.478 5.537 1.00 0.00 H new ATOM 0 HA ASN A 347 82.106 -1.555 7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 347 81.018 -1.701 4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 347 82.763 -1.560 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 347 83.340 -4.779 5.745 1.00 0.00 H new ATOM 0 HD22 ASN A 347 84.005 -3.160 5.506 1.00 0.00 H new ATOM 281 N VAL A 348 82.255 1.344 6.589 1.00 0.00 N ATOM 282 CA VAL A 348 83.020 2.583 6.514 1.00 0.00 C ATOM 283 C VAL A 348 83.130 3.251 7.882 1.00 0.00 C ATOM 284 O VAL A 348 84.199 3.263 8.492 1.00 0.00 O ATOM 285 CB VAL A 348 82.389 3.574 5.516 1.00 0.00 C ATOM 286 CG1 VAL A 348 83.281 4.792 5.333 1.00 0.00 C ATOM 287 CG2 VAL A 348 82.127 2.891 4.182 1.00 0.00 C ATOM 0 H VAL A 348 81.397 1.411 7.136 1.00 0.00 H new ATOM 0 HA VAL A 348 84.018 2.316 6.166 1.00 0.00 H new ATOM 0 HB VAL A 348 81.435 3.911 5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 348 82.818 5.479 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 348 83.413 5.293 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 348 84.252 4.478 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 348 81.681 3.605 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 348 83.067 2.524 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 348 81.444 2.054 4.330 1.00 0.00 H new ATOM 297 N CYS A 349 82.020 3.808 8.359 1.00 0.00 N ATOM 298 CA CYS A 349 81.997 4.478 9.654 1.00 0.00 C ATOM 299 C CYS A 349 81.636 3.500 10.767 1.00 0.00 C ATOM 300 O CYS A 349 82.139 3.603 11.886 1.00 0.00 O ATOM 301 CB CYS A 349 81.000 5.637 9.635 1.00 0.00 C ATOM 302 SG CYS A 349 79.275 5.129 9.338 1.00 0.00 S ATOM 0 H CYS A 349 81.126 3.808 7.868 1.00 0.00 H new ATOM 0 HA CYS A 349 82.995 4.870 9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 349 81.053 6.164 10.588 1.00 0.00 H new ATOM 0 HB3 CYS A 349 81.297 6.345 8.862 1.00 0.00 H new ATOM 0 HG CYS A 349 79.238 4.262 8.370 1.00 0.00 H new ATOM 307 N GLN A 350 80.762 2.551 10.451 1.00 0.00 N ATOM 308 CA GLN A 350 80.331 1.551 11.422 1.00 0.00 C ATOM 309 C GLN A 350 79.621 2.207 12.603 1.00 0.00 C ATOM 310 O GLN A 350 80.264 2.725 13.516 1.00 0.00 O ATOM 311 CB GLN A 350 81.530 0.741 11.918 1.00 0.00 C ATOM 312 CG GLN A 350 81.844 -0.471 11.056 1.00 0.00 C ATOM 313 CD GLN A 350 82.776 -1.449 11.743 1.00 0.00 C ATOM 314 OE1 GLN A 350 83.821 -1.812 11.204 1.00 0.00 O ATOM 315 NE2 GLN A 350 82.400 -1.883 12.941 1.00 0.00 N ATOM 0 H GLN A 350 80.337 2.453 9.529 1.00 0.00 H new ATOM 0 HA GLN A 350 79.628 0.881 10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 350 82.406 1.389 11.953 1.00 0.00 H new ATOM 0 HB3 GLN A 350 81.337 0.410 12.939 1.00 0.00 H new ATOM 0 HG2 GLN A 350 80.915 -0.980 10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 350 82.296 -0.140 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 350 81.525 -1.556 13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 350 82.986 -2.544 13.451 1.00 0.00 H new ATOM 324 N LYS A 351 78.292 2.179 12.578 1.00 0.00 N ATOM 325 CA LYS A 351 77.494 2.769 13.647 1.00 0.00 C ATOM 326 C LYS A 351 76.248 1.933 13.921 1.00 0.00 C ATOM 327 O LYS A 351 75.953 0.986 13.193 1.00 0.00 O ATOM 328 CB LYS A 351 77.092 4.199 13.282 1.00 0.00 C ATOM 329 CG LYS A 351 78.260 5.171 13.247 1.00 0.00 C ATOM 330 CD LYS A 351 78.416 5.903 14.570 1.00 0.00 C ATOM 331 CE LYS A 351 79.336 5.150 15.518 1.00 0.00 C ATOM 332 NZ LYS A 351 80.172 6.074 16.332 1.00 0.00 N ATOM 0 H LYS A 351 77.745 1.754 11.829 1.00 0.00 H new ATOM 0 HA LYS A 351 78.102 2.789 14.551 1.00 0.00 H new ATOM 0 HB2 LYS A 351 76.606 4.193 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 351 76.356 4.555 14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 351 79.178 4.630 13.019 1.00 0.00 H new ATOM 0 HG3 LYS A 351 78.109 5.894 12.446 1.00 0.00 H new ATOM 0 HD2 LYS A 351 78.815 6.901 14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 351 77.438 6.030 15.034 1.00 0.00 H new ATOM 0 HE2 LYS A 351 78.740 4.522 16.180 1.00 0.00 H new ATOM 0 HE3 LYS A 351 79.982 4.485 14.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 80.785 5.521 16.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 80.760 6.656 15.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 79.556 6.691 16.899 1.00 0.00 H new ATOM 346 N SER A 352 75.520 2.290 14.975 1.00 0.00 N ATOM 347 CA SER A 352 74.304 1.572 15.343 1.00 0.00 C ATOM 348 C SER A 352 73.249 1.693 14.248 1.00 0.00 C ATOM 349 O SER A 352 72.345 2.523 14.332 1.00 0.00 O ATOM 350 CB SER A 352 73.750 2.110 16.664 1.00 0.00 C ATOM 351 OG SER A 352 73.836 3.523 16.716 1.00 0.00 O ATOM 0 H SER A 352 75.751 3.071 15.589 1.00 0.00 H new ATOM 0 HA SER A 352 74.556 0.518 15.465 1.00 0.00 H new ATOM 0 HB2 SER A 352 72.711 1.801 16.779 1.00 0.00 H new ATOM 0 HB3 SER A 352 74.304 1.678 17.497 1.00 0.00 H new ATOM 0 HG SER A 352 73.379 3.907 15.939 1.00 0.00 H new ATOM 357 N MET A 353 73.375 0.861 13.220 1.00 0.00 N ATOM 358 CA MET A 353 72.437 0.875 12.103 1.00 0.00 C ATOM 359 C MET A 353 72.653 -0.342 11.214 1.00 0.00 C ATOM 360 O MET A 353 73.537 -1.158 11.474 1.00 0.00 O ATOM 361 CB MET A 353 72.595 2.158 11.273 1.00 0.00 C ATOM 362 CG MET A 353 73.994 2.761 11.307 1.00 0.00 C ATOM 363 SD MET A 353 73.975 4.561 11.201 1.00 0.00 S ATOM 364 CE MET A 353 73.283 4.986 12.797 1.00 0.00 C ATOM 0 H MET A 353 74.118 0.168 13.137 1.00 0.00 H new ATOM 0 HA MET A 353 71.427 0.845 12.511 1.00 0.00 H new ATOM 0 HB2 MET A 353 72.331 1.941 10.238 1.00 0.00 H new ATOM 0 HB3 MET A 353 71.884 2.900 11.635 1.00 0.00 H new ATOM 0 HG2 MET A 353 74.493 2.460 12.228 1.00 0.00 H new ATOM 0 HG3 MET A 353 74.580 2.358 10.481 1.00 0.00 H new ATOM 0 HE1 MET A 353 73.387 6.058 12.965 1.00 0.00 H new ATOM 0 HE2 MET A 353 72.227 4.716 12.819 1.00 0.00 H new ATOM 0 HE3 MET A 353 73.813 4.443 13.580 1.00 0.00 H new ATOM 374 N ILE A 354 71.901 -0.421 10.121 1.00 0.00 N ATOM 375 CA ILE A 354 72.072 -1.464 9.173 1.00 0.00 C ATOM 376 C ILE A 354 71.889 -0.881 7.810 1.00 0.00 C ATOM 377 O ILE A 354 70.796 -0.788 7.252 1.00 0.00 O ATOM 378 CB ILE A 354 71.098 -2.622 9.375 1.00 0.00 C ATOM 379 CG1 ILE A 354 71.410 -3.761 8.401 1.00 0.00 C ATOM 380 CG2 ILE A 354 69.657 -2.155 9.215 1.00 0.00 C ATOM 381 CD1 ILE A 354 72.093 -4.943 9.054 1.00 0.00 C ATOM 0 H ILE A 354 71.164 0.244 9.887 1.00 0.00 H new ATOM 0 HA ILE A 354 73.072 -1.880 9.301 1.00 0.00 H new ATOM 0 HB ILE A 354 71.219 -2.996 10.392 1.00 0.00 H new ATOM 0 HG12 ILE A 354 70.482 -4.098 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 354 72.045 -3.381 7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 354 68.983 -2.998 9.364 1.00 0.00 H new ATOM 0 HG22 ILE A 354 69.441 -1.383 9.953 1.00 0.00 H new ATOM 0 HG23 ILE A 354 69.515 -1.749 8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 354 72.284 -5.712 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 354 73.037 -4.621 9.492 1.00 0.00 H new ATOM 0 HD13 ILE A 354 71.450 -5.349 9.835 1.00 0.00 H new ATOM 393 N PHE A 355 72.998 -0.527 7.308 1.00 0.00 N ATOM 394 CA PHE A 355 73.121 0.045 5.982 1.00 0.00 C ATOM 395 C PHE A 355 74.282 -0.594 5.244 1.00 0.00 C ATOM 396 O PHE A 355 75.427 -0.522 5.692 1.00 0.00 O ATOM 397 CB PHE A 355 73.321 1.558 6.070 1.00 0.00 C ATOM 398 CG PHE A 355 72.046 2.341 5.932 1.00 0.00 C ATOM 399 CD1 PHE A 355 71.140 2.042 4.927 1.00 0.00 C ATOM 400 CD2 PHE A 355 71.755 3.377 6.805 1.00 0.00 C ATOM 401 CE1 PHE A 355 69.966 2.760 4.797 1.00 0.00 C ATOM 402 CE2 PHE A 355 70.584 4.099 6.680 1.00 0.00 C ATOM 403 CZ PHE A 355 69.688 3.790 5.675 1.00 0.00 C ATOM 0 H PHE A 355 73.887 -0.618 7.799 1.00 0.00 H new ATOM 0 HA PHE A 355 72.201 -0.152 5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 355 73.785 1.800 7.026 1.00 0.00 H new ATOM 0 HB3 PHE A 355 74.016 1.870 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 355 71.354 1.239 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 355 72.452 3.623 7.592 1.00 0.00 H new ATOM 0 HE1 PHE A 355 69.267 2.516 4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 355 70.369 4.904 7.367 1.00 0.00 H new ATOM 0 HZ PHE A 355 68.772 4.353 5.576 1.00 0.00 H new ATOM 413 N GLY A 356 73.993 -1.211 4.109 1.00 0.00 N ATOM 414 CA GLY A 356 75.046 -1.835 3.341 1.00 0.00 C ATOM 415 C GLY A 356 74.754 -1.859 1.868 1.00 0.00 C ATOM 416 O GLY A 356 73.820 -2.515 1.417 1.00 0.00 O ATOM 0 H GLY A 356 73.058 -1.290 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 356 75.981 -1.301 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 356 75.192 -2.856 3.695 1.00 0.00 H new ATOM 420 N VAL A 357 75.573 -1.157 1.121 1.00 0.00 N ATOM 421 CA VAL A 357 75.425 -1.105 -0.321 1.00 0.00 C ATOM 422 C VAL A 357 76.490 -1.963 -0.980 1.00 0.00 C ATOM 423 O VAL A 357 77.659 -1.904 -0.609 1.00 0.00 O ATOM 424 CB VAL A 357 75.514 0.338 -0.861 1.00 0.00 C ATOM 425 CG1 VAL A 357 74.421 1.202 -0.251 1.00 0.00 C ATOM 426 CG2 VAL A 357 76.889 0.935 -0.595 1.00 0.00 C ATOM 0 H VAL A 357 76.353 -0.611 1.486 1.00 0.00 H new ATOM 0 HA VAL A 357 74.434 -1.489 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 357 75.366 0.309 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 357 74.498 2.216 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 357 73.445 0.788 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 357 74.535 1.222 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.926 1.952 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.077 0.951 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 357 77.650 0.330 -1.088 1.00 0.00 H new ATOM 436 N LYS A 358 76.081 -2.769 -1.947 1.00 0.00 N ATOM 437 CA LYS A 358 77.006 -3.645 -2.640 1.00 0.00 C ATOM 438 C LYS A 358 77.156 -3.235 -4.095 1.00 0.00 C ATOM 439 O LYS A 358 76.179 -3.206 -4.847 1.00 0.00 O ATOM 440 CB LYS A 358 76.528 -5.096 -2.554 1.00 0.00 C ATOM 441 CG LYS A 358 77.498 -6.093 -3.166 1.00 0.00 C ATOM 442 CD LYS A 358 76.770 -7.299 -3.738 1.00 0.00 C ATOM 443 CE LYS A 358 76.037 -8.072 -2.655 1.00 0.00 C ATOM 444 NZ LYS A 358 76.865 -9.181 -2.106 1.00 0.00 N ATOM 0 H LYS A 358 75.115 -2.833 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 358 77.979 -3.560 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 358 76.366 -5.355 -1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 358 75.565 -5.183 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 358 78.073 -5.606 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 358 78.210 -6.422 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 358 76.059 -6.970 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 358 77.485 -7.955 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 358 75.760 -7.393 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 358 75.111 -8.478 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 76.329 -9.683 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 77.109 -9.843 -2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 77.737 -8.792 -1.694 1.00 0.00 H new ATOM 458 N CYS A 359 78.386 -2.928 -4.487 1.00 0.00 N ATOM 459 CA CYS A 359 78.669 -2.536 -5.862 1.00 0.00 C ATOM 460 C CYS A 359 79.343 -3.680 -6.595 1.00 0.00 C ATOM 461 O CYS A 359 80.272 -4.295 -6.075 1.00 0.00 O ATOM 462 CB CYS A 359 79.558 -1.290 -5.918 1.00 0.00 C ATOM 463 SG CYS A 359 81.283 -1.559 -5.391 1.00 0.00 S ATOM 0 H CYS A 359 79.201 -2.943 -3.874 1.00 0.00 H new ATOM 0 HA CYS A 359 77.722 -2.297 -6.345 1.00 0.00 H new ATOM 0 HB2 CYS A 359 79.560 -0.907 -6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 359 79.117 -0.517 -5.289 1.00 0.00 H new ATOM 0 HG CYS A 359 81.701 -0.522 -4.727 1.00 0.00 H new ATOM 468 N LYS A 360 78.889 -3.958 -7.806 1.00 0.00 N ATOM 469 CA LYS A 360 79.451 -4.995 -8.590 1.00 0.00 C ATOM 470 C LYS A 360 80.738 -4.516 -9.217 1.00 0.00 C ATOM 471 O LYS A 360 81.279 -3.471 -8.854 1.00 0.00 O ATOM 472 CB LYS A 360 78.437 -5.420 -9.647 1.00 0.00 C ATOM 473 CG LYS A 360 77.756 -6.755 -9.363 1.00 0.00 C ATOM 474 CD LYS A 360 77.292 -6.872 -7.915 1.00 0.00 C ATOM 475 CE LYS A 360 75.901 -6.291 -7.715 1.00 0.00 C ATOM 476 NZ LYS A 360 75.690 -5.047 -8.506 1.00 0.00 N ATOM 0 H LYS A 360 78.120 -3.460 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 360 79.685 -5.859 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 360 77.673 -4.647 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 360 78.940 -5.480 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 360 76.900 -6.872 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 360 78.447 -7.568 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 360 77.293 -7.921 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 360 77.998 -6.355 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 360 75.155 -7.032 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 360 75.747 -6.077 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 74.776 -4.623 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 76.454 -4.372 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 75.692 -5.276 -9.520 1.00 0.00 H new ATOM 490 N HIS A 361 81.221 -5.296 -10.143 1.00 0.00 N ATOM 491 CA HIS A 361 82.468 -5.001 -10.846 1.00 0.00 C ATOM 492 C HIS A 361 83.672 -5.127 -9.905 1.00 0.00 C ATOM 493 O HIS A 361 84.751 -5.552 -10.319 1.00 0.00 O ATOM 494 CB HIS A 361 82.422 -3.595 -11.455 1.00 0.00 C ATOM 495 CG HIS A 361 82.271 -3.595 -12.945 1.00 0.00 C ATOM 496 ND1 HIS A 361 81.815 -2.504 -13.655 1.00 0.00 N ATOM 497 CD2 HIS A 361 82.519 -4.560 -13.861 1.00 0.00 C ATOM 498 CE1 HIS A 361 81.788 -2.799 -14.942 1.00 0.00 C ATOM 499 NE2 HIS A 361 82.210 -4.040 -15.094 1.00 0.00 N ATOM 0 H HIS A 361 80.770 -6.160 -10.443 1.00 0.00 H new ATOM 0 HA HIS A 361 82.581 -5.730 -11.649 1.00 0.00 H new ATOM 0 HB2 HIS A 361 81.592 -3.043 -11.013 1.00 0.00 H new ATOM 0 HB3 HIS A 361 83.336 -3.063 -11.190 1.00 0.00 H new ATOM 0 HD2 HIS A 361 82.891 -5.554 -13.660 1.00 0.00 H new ATOM 0 HE1 HIS A 361 81.474 -2.137 -15.735 1.00 0.00 H new ATOM 0 HE2 HIS A 361 82.293 -4.533 -15.983 1.00 0.00 H new ATOM 508 N CYS A 362 83.480 -4.748 -8.642 1.00 0.00 N ATOM 509 CA CYS A 362 84.541 -4.809 -7.643 1.00 0.00 C ATOM 510 C CYS A 362 84.076 -5.563 -6.397 1.00 0.00 C ATOM 511 O CYS A 362 84.845 -6.309 -5.791 1.00 0.00 O ATOM 512 CB CYS A 362 84.990 -3.396 -7.246 1.00 0.00 C ATOM 513 SG CYS A 362 84.342 -2.060 -8.307 1.00 0.00 S ATOM 0 H CYS A 362 82.592 -4.393 -8.287 1.00 0.00 H new ATOM 0 HA CYS A 362 85.382 -5.343 -8.085 1.00 0.00 H new ATOM 0 HB2 CYS A 362 84.680 -3.207 -6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 362 86.079 -3.358 -7.263 1.00 0.00 H new ATOM 0 HG CYS A 362 83.973 -1.058 -7.566 1.00 0.00 H new ATOM 518 N ARG A 363 82.814 -5.353 -6.017 1.00 0.00 N ATOM 519 CA ARG A 363 82.232 -5.999 -4.839 1.00 0.00 C ATOM 520 C ARG A 363 82.675 -5.299 -3.555 1.00 0.00 C ATOM 521 O ARG A 363 83.522 -5.807 -2.820 1.00 0.00 O ATOM 522 CB ARG A 363 82.607 -7.485 -4.782 1.00 0.00 C ATOM 523 CG ARG A 363 82.407 -8.216 -6.100 1.00 0.00 C ATOM 524 CD ARG A 363 80.944 -8.229 -6.514 1.00 0.00 C ATOM 525 NE ARG A 363 80.288 -9.487 -6.169 1.00 0.00 N ATOM 526 CZ ARG A 363 80.470 -10.625 -6.835 1.00 0.00 C ATOM 527 NH1 ARG A 363 81.286 -10.667 -7.881 1.00 0.00 N ATOM 528 NH2 ARG A 363 79.834 -11.725 -6.454 1.00 0.00 N ATOM 0 H ARG A 363 82.171 -4.735 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 363 81.148 -5.918 -4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 363 83.651 -7.576 -4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 363 82.009 -7.972 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 363 83.002 -7.736 -6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 363 82.769 -9.240 -6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 363 80.423 -7.404 -6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 363 80.870 -8.065 -7.589 1.00 0.00 H new ATOM 0 HE ARG A 363 79.653 -9.494 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 363 81.778 -9.824 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 363 81.421 -11.542 -8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 363 79.206 -11.699 -5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 363 79.973 -12.597 -6.964 1.00 0.00 H new ATOM 542 N LEU A 364 82.092 -4.132 -3.291 1.00 0.00 N ATOM 543 CA LEU A 364 82.419 -3.360 -2.094 1.00 0.00 C ATOM 544 C LEU A 364 81.176 -3.149 -1.238 1.00 0.00 C ATOM 545 O LEU A 364 80.056 -3.201 -1.743 1.00 0.00 O ATOM 546 CB LEU A 364 83.012 -2.004 -2.483 1.00 0.00 C ATOM 547 CG LEU A 364 83.989 -1.408 -1.469 1.00 0.00 C ATOM 548 CD1 LEU A 364 85.153 -2.356 -1.226 1.00 0.00 C ATOM 549 CD2 LEU A 364 84.493 -0.054 -1.948 1.00 0.00 C ATOM 0 H LEU A 364 81.390 -3.699 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 364 83.155 -3.920 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 364 83.525 -2.110 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 364 82.196 -1.298 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 364 83.461 -1.265 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 364 85.837 -1.914 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 364 84.776 -3.303 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 364 85.681 -2.532 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 364 85.187 0.356 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 364 85.003 -0.173 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 364 83.650 0.626 -2.069 1.00 0.00 H new ATOM 561 N LYS A 365 81.369 -2.902 0.057 1.00 0.00 N ATOM 562 CA LYS A 365 80.246 -2.680 0.953 1.00 0.00 C ATOM 563 C LYS A 365 80.407 -1.361 1.702 1.00 0.00 C ATOM 564 O LYS A 365 81.468 -1.077 2.257 1.00 0.00 O ATOM 565 CB LYS A 365 80.117 -3.834 1.948 1.00 0.00 C ATOM 566 CG LYS A 365 79.715 -5.150 1.304 1.00 0.00 C ATOM 567 CD LYS A 365 80.918 -5.879 0.729 1.00 0.00 C ATOM 568 CE LYS A 365 80.583 -6.552 -0.592 1.00 0.00 C ATOM 569 NZ LYS A 365 81.702 -7.404 -1.082 1.00 0.00 N ATOM 0 H LYS A 365 82.286 -2.852 0.502 1.00 0.00 H new ATOM 0 HA LYS A 365 79.338 -2.631 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 365 81.068 -3.967 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 365 79.379 -3.569 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 365 79.224 -5.783 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 365 78.989 -4.962 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 365 81.736 -5.174 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 365 81.266 -6.627 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 365 79.688 -7.162 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 365 80.352 -5.792 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 81.351 -8.047 -1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 82.451 -6.800 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 82.086 -7.961 -0.292 1.00 0.00 H new ATOM 583 N CYS A 366 79.351 -0.558 1.707 1.00 0.00 N ATOM 584 CA CYS A 366 79.374 0.734 2.384 1.00 0.00 C ATOM 585 C CYS A 366 77.962 1.215 2.704 1.00 0.00 C ATOM 586 O CYS A 366 76.988 0.744 2.118 1.00 0.00 O ATOM 587 CB CYS A 366 80.110 1.784 1.543 1.00 0.00 C ATOM 588 SG CYS A 366 79.953 1.564 -0.245 1.00 0.00 S ATOM 0 H CYS A 366 78.466 -0.778 1.250 1.00 0.00 H new ATOM 0 HA CYS A 366 79.913 0.600 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 366 79.733 2.772 1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 366 81.168 1.765 1.806 1.00 0.00 H new ATOM 0 HG CYS A 366 80.128 0.311 -0.545 1.00 0.00 H new ATOM 594 N HIS A 367 77.865 2.159 3.637 1.00 0.00 N ATOM 595 CA HIS A 367 76.580 2.730 4.047 1.00 0.00 C ATOM 596 C HIS A 367 75.714 3.063 2.835 1.00 0.00 C ATOM 597 O HIS A 367 76.161 2.952 1.695 1.00 0.00 O ATOM 598 CB HIS A 367 76.825 4.009 4.851 1.00 0.00 C ATOM 599 CG HIS A 367 76.324 3.958 6.258 1.00 0.00 C ATOM 600 ND1 HIS A 367 77.194 3.989 7.315 1.00 0.00 N ATOM 601 CD2 HIS A 367 75.055 3.906 6.726 1.00 0.00 C ATOM 602 CE1 HIS A 367 76.444 3.957 8.403 1.00 0.00 C ATOM 603 NE2 HIS A 367 75.139 3.905 8.096 1.00 0.00 N ATOM 0 H HIS A 367 78.669 2.549 4.129 1.00 0.00 H new ATOM 0 HA HIS A 367 76.058 1.992 4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 367 77.895 4.215 4.866 1.00 0.00 H new ATOM 0 HB3 HIS A 367 76.347 4.844 4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 367 74.151 3.872 6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 367 76.832 3.971 9.411 1.00 0.00 H new ATOM 0 HE2 HIS A 367 74.360 3.871 8.754 1.00 0.00 H new ATOM 611 N ASN A 368 74.483 3.506 3.085 1.00 0.00 N ATOM 612 CA ASN A 368 73.579 3.885 2.001 1.00 0.00 C ATOM 613 C ASN A 368 74.315 4.770 0.997 1.00 0.00 C ATOM 614 O ASN A 368 74.012 4.769 -0.196 1.00 0.00 O ATOM 615 CB ASN A 368 72.358 4.621 2.555 1.00 0.00 C ATOM 616 CG ASN A 368 71.339 4.942 1.479 1.00 0.00 C ATOM 617 OD1 ASN A 368 71.571 5.796 0.624 1.00 0.00 O ATOM 618 ND2 ASN A 368 70.203 4.256 1.516 1.00 0.00 N ATOM 0 H ASN A 368 74.091 3.611 4.021 1.00 0.00 H new ATOM 0 HA ASN A 368 73.238 2.981 1.497 1.00 0.00 H new ATOM 0 HB2 ASN A 368 71.888 4.010 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 368 72.681 5.546 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 368 69.480 4.428 0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 368 70.053 3.557 2.243 1.00 0.00 H new ATOM 625 N LYS A 369 75.300 5.508 1.502 1.00 0.00 N ATOM 626 CA LYS A 369 76.113 6.388 0.679 1.00 0.00 C ATOM 627 C LYS A 369 77.489 6.571 1.314 1.00 0.00 C ATOM 628 O LYS A 369 78.485 6.037 0.826 1.00 0.00 O ATOM 629 CB LYS A 369 75.425 7.743 0.497 1.00 0.00 C ATOM 630 CG LYS A 369 74.732 7.897 -0.849 1.00 0.00 C ATOM 631 CD LYS A 369 75.667 7.555 -1.999 1.00 0.00 C ATOM 632 CE LYS A 369 75.548 8.559 -3.134 1.00 0.00 C ATOM 633 NZ LYS A 369 76.194 9.858 -2.796 1.00 0.00 N ATOM 0 H LYS A 369 75.554 5.511 2.490 1.00 0.00 H new ATOM 0 HA LYS A 369 76.235 5.933 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 369 74.691 7.879 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 369 76.165 8.535 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 369 73.857 7.249 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 369 74.375 8.921 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 369 76.695 7.533 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 369 75.438 6.556 -2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 369 76.008 8.148 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 369 74.495 8.726 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 76.427 10.368 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 75.542 10.432 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 77.065 9.682 -2.256 1.00 0.00 H new ATOM 647 N CYS A 370 77.529 7.322 2.415 1.00 0.00 N ATOM 648 CA CYS A 370 78.776 7.578 3.142 1.00 0.00 C ATOM 649 C CYS A 370 79.934 7.859 2.188 1.00 0.00 C ATOM 650 O CYS A 370 81.089 7.553 2.487 1.00 0.00 O ATOM 651 CB CYS A 370 79.117 6.385 4.040 1.00 0.00 C ATOM 652 SG CYS A 370 78.588 6.580 5.777 1.00 0.00 S ATOM 0 H CYS A 370 76.708 7.767 2.826 1.00 0.00 H new ATOM 0 HA CYS A 370 78.625 8.465 3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 370 78.651 5.490 3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 370 80.195 6.223 4.016 1.00 0.00 H new ATOM 0 HG CYS A 370 79.398 5.924 6.554 1.00 0.00 H new ATOM 657 N THR A 371 79.616 8.442 1.038 1.00 0.00 N ATOM 658 CA THR A 371 80.625 8.764 0.035 1.00 0.00 C ATOM 659 C THR A 371 81.714 9.657 0.622 1.00 0.00 C ATOM 660 O THR A 371 82.875 9.584 0.220 1.00 0.00 O ATOM 661 CB THR A 371 79.978 9.453 -1.167 1.00 0.00 C ATOM 662 OG1 THR A 371 78.876 10.243 -0.758 1.00 0.00 O ATOM 663 CG2 THR A 371 79.482 8.483 -2.217 1.00 0.00 C ATOM 0 H THR A 371 78.665 8.702 0.776 1.00 0.00 H new ATOM 0 HA THR A 371 81.084 7.831 -0.293 1.00 0.00 H new ATOM 0 HB THR A 371 80.764 10.068 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 371 78.576 10.799 -1.507 1.00 0.00 H new ATOM 0 HG21 THR A 371 79.034 9.037 -3.042 1.00 0.00 H new ATOM 0 HG22 THR A 371 80.318 7.891 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 371 78.736 7.821 -1.777 1.00 0.00 H new ATOM 671 N LYS A 372 81.331 10.500 1.575 1.00 0.00 N ATOM 672 CA LYS A 372 82.274 11.407 2.218 1.00 0.00 C ATOM 673 C LYS A 372 83.272 10.637 3.079 1.00 0.00 C ATOM 674 O LYS A 372 84.400 11.084 3.288 1.00 0.00 O ATOM 675 CB LYS A 372 81.527 12.430 3.075 1.00 0.00 C ATOM 676 CG LYS A 372 80.694 11.804 4.182 1.00 0.00 C ATOM 677 CD LYS A 372 79.832 12.841 4.884 1.00 0.00 C ATOM 678 CE LYS A 372 78.513 12.246 5.349 1.00 0.00 C ATOM 679 NZ LYS A 372 77.426 13.262 5.382 1.00 0.00 N ATOM 0 H LYS A 372 80.374 10.574 1.919 1.00 0.00 H new ATOM 0 HA LYS A 372 82.825 11.930 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 372 82.249 13.116 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 372 80.876 13.023 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 372 80.058 11.024 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 372 81.352 11.325 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 372 80.372 13.245 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 372 79.639 13.673 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 372 78.228 11.431 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 372 78.639 11.817 6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 76.544 12.816 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 77.686 14.027 6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 77.288 13.654 4.429 1.00 0.00 H new ATOM 693 N GLU A 373 82.850 9.479 3.578 1.00 0.00 N ATOM 694 CA GLU A 373 83.707 8.651 4.418 1.00 0.00 C ATOM 695 C GLU A 373 84.401 7.570 3.595 1.00 0.00 C ATOM 696 O GLU A 373 85.627 7.558 3.477 1.00 0.00 O ATOM 697 CB GLU A 373 82.889 8.007 5.539 1.00 0.00 C ATOM 698 CG GLU A 373 82.494 8.979 6.639 1.00 0.00 C ATOM 699 CD GLU A 373 83.658 9.346 7.539 1.00 0.00 C ATOM 700 OE1 GLU A 373 84.818 9.181 7.106 1.00 0.00 O ATOM 701 OE2 GLU A 373 83.409 9.798 8.676 1.00 0.00 O ATOM 0 H GLU A 373 81.920 9.093 3.415 1.00 0.00 H new ATOM 0 HA GLU A 373 84.471 9.294 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 373 81.987 7.567 5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 373 83.465 7.192 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 373 82.088 9.885 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 373 81.699 8.538 7.241 1.00 0.00 H new ATOM 708 N ALA A 374 83.611 6.664 3.028 1.00 0.00 N ATOM 709 CA ALA A 374 84.151 5.578 2.218 1.00 0.00 C ATOM 710 C ALA A 374 84.971 6.117 1.048 1.00 0.00 C ATOM 711 O ALA A 374 84.670 7.182 0.508 1.00 0.00 O ATOM 712 CB ALA A 374 83.027 4.688 1.711 1.00 0.00 C ATOM 0 H ALA A 374 82.595 6.660 3.115 1.00 0.00 H new ATOM 0 HA ALA A 374 84.814 4.985 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 374 83.445 3.882 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 374 82.487 4.265 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 374 82.342 5.278 1.103 1.00 0.00 H new ATOM 718 N PRO A 375 86.023 5.386 0.640 1.00 0.00 N ATOM 719 CA PRO A 375 86.885 5.796 -0.470 1.00 0.00 C ATOM 720 C PRO A 375 86.241 5.542 -1.829 1.00 0.00 C ATOM 721 O PRO A 375 85.049 5.247 -1.916 1.00 0.00 O ATOM 722 CB PRO A 375 88.120 4.915 -0.290 1.00 0.00 C ATOM 723 CG PRO A 375 87.604 3.675 0.354 1.00 0.00 C ATOM 724 CD PRO A 375 86.454 4.102 1.229 1.00 0.00 C ATOM 0 HA PRO A 375 87.097 6.865 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 375 88.595 4.697 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 375 88.869 5.404 0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 375 87.276 2.955 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 375 88.382 3.190 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 375 85.649 3.367 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 375 86.764 4.222 2.267 1.00 0.00 H new ATOM 732 N ALA A 376 87.038 5.657 -2.886 1.00 0.00 N ATOM 733 CA ALA A 376 86.545 5.438 -4.240 1.00 0.00 C ATOM 734 C ALA A 376 86.409 3.949 -4.539 1.00 0.00 C ATOM 735 O ALA A 376 87.358 3.183 -4.372 1.00 0.00 O ATOM 736 CB ALA A 376 87.471 6.098 -5.251 1.00 0.00 C ATOM 0 H ALA A 376 88.027 5.900 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 376 85.556 5.890 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 376 87.091 5.927 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 376 87.516 7.170 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 376 88.470 5.671 -5.162 1.00 0.00 H new ATOM 742 N CYS A 377 85.221 3.545 -4.979 1.00 0.00 N ATOM 743 CA CYS A 377 84.960 2.146 -5.300 1.00 0.00 C ATOM 744 C CYS A 377 85.923 1.644 -6.372 1.00 0.00 C ATOM 745 O CYS A 377 86.179 2.330 -7.361 1.00 0.00 O ATOM 746 CB CYS A 377 83.516 1.971 -5.774 1.00 0.00 C ATOM 747 SG CYS A 377 82.766 0.379 -5.299 1.00 0.00 S ATOM 0 H CYS A 377 84.425 4.166 -5.121 1.00 0.00 H new ATOM 0 HA CYS A 377 85.113 1.557 -4.395 1.00 0.00 H new ATOM 0 HB2 CYS A 377 82.911 2.781 -5.368 1.00 0.00 H new ATOM 0 HB3 CYS A 377 83.487 2.065 -6.860 1.00 0.00 H new ATOM 0 HG CYS A 377 81.601 0.262 -5.864 1.00 0.00 H new