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 346 CYS SG : rot 14:sc= -5.74! USER MOD Set 1.2: A 349 CYS SG : rot -134:sc= -3.16 USER MOD Set 1.3: A 367 HIS : +bothHN:sc= -11.2! C(o=-22!,f=-38!) USER MOD Set 1.4: A 370 CYS SG : rot 180:sc= -1.5 USER MOD Set 2.1: A 334 HIS : no HD1:sc= -4.86! C(o=-27!,f=-34!) USER MOD Set 2.2: A 359 CYS SG : rot -148:sc= -8.77! USER MOD Set 2.3: A 362 CYS SG : rot 119:sc= -1.89 USER MOD Set 2.4: A 377 CYS SG : rot -133:sc= -11.4! USER MOD Set 3.1: A 338 THR OG1 : rot -115:sc= 0.205 USER MOD Set 3.2: A 368 ASN : amide:sc= 0.0393 K(o=0.24,f=-1.9!) USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 347 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 350 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 351 LYS NZ :NH3+ 171:sc= 0.0546 (180deg=0.0388) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 353 MET CE :methyl 169:sc= -3.11! (180deg=-3.41!) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-0.86) USER MOD Single : A 365 LYS NZ :NH3+ -157:sc= -0.0579 (180deg=-0.38) USER MOD Single : A 366 CYS SG : rot 180:sc= -1.41! USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 372 LYS NZ :NH3+ -153:sc= -0.132 (180deg=-0.69) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 81.197 -6.177 -9.083 1.00 0.00 N ATOM 52 CA HIS A 334 81.717 -6.580 -7.782 1.00 0.00 C ATOM 53 C HIS A 334 80.592 -7.093 -6.889 1.00 0.00 C ATOM 54 O HIS A 334 79.424 -6.767 -7.099 1.00 0.00 O ATOM 55 CB HIS A 334 82.438 -5.407 -7.109 1.00 0.00 C ATOM 56 CG HIS A 334 83.316 -4.629 -8.043 1.00 0.00 C ATOM 57 ND1 HIS A 334 83.914 -3.453 -7.656 1.00 0.00 N ATOM 58 CD2 HIS A 334 83.654 -4.895 -9.329 1.00 0.00 C ATOM 59 CE1 HIS A 334 84.594 -3.033 -8.709 1.00 0.00 C ATOM 60 NE2 HIS A 334 84.467 -3.873 -9.745 1.00 0.00 N ATOM 0 HA HIS A 334 82.432 -7.389 -7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 334 81.697 -4.735 -6.676 1.00 0.00 H new ATOM 0 HB3 HIS A 334 83.043 -5.787 -6.286 1.00 0.00 H new ATOM 0 HD2 HIS A 334 83.342 -5.748 -9.913 1.00 0.00 H new ATOM 0 HE1 HIS A 334 85.179 -2.126 -8.731 1.00 0.00 H new ATOM 0 HE2 HIS A 334 84.893 -3.771 -10.666 1.00 0.00 H new ATOM 68 N ARG A 335 80.947 -7.903 -5.896 1.00 0.00 N ATOM 69 CA ARG A 335 79.957 -8.464 -4.983 1.00 0.00 C ATOM 70 C ARG A 335 79.822 -7.614 -3.725 1.00 0.00 C ATOM 71 O ARG A 335 80.780 -7.433 -2.973 1.00 0.00 O ATOM 72 CB ARG A 335 80.329 -9.901 -4.612 1.00 0.00 C ATOM 73 CG ARG A 335 79.470 -10.494 -3.504 1.00 0.00 C ATOM 74 CD ARG A 335 79.224 -11.978 -3.724 1.00 0.00 C ATOM 75 NE ARG A 335 78.801 -12.651 -2.499 1.00 0.00 N ATOM 76 CZ ARG A 335 77.569 -12.579 -2.000 1.00 0.00 C ATOM 77 NH1 ARG A 335 76.636 -11.865 -2.618 1.00 0.00 N ATOM 78 NH2 ARG A 335 77.268 -13.224 -0.881 1.00 0.00 N ATOM 0 H ARG A 335 81.908 -8.184 -5.704 1.00 0.00 H new ATOM 0 HA ARG A 335 78.994 -8.467 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 335 80.244 -10.528 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 335 81.374 -9.927 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 335 79.960 -10.344 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 335 78.516 -9.968 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 335 78.461 -12.109 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 335 80.135 -12.445 -4.098 1.00 0.00 H new ATOM 0 HE ARG A 335 79.490 -13.209 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 335 76.861 -11.368 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 335 75.694 -11.813 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 335 77.981 -13.775 -0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 335 76.324 -13.169 -0.499 1.00 0.00 H new ATOM 92 N PHE A 336 78.620 -7.097 -3.510 1.00 0.00 N ATOM 93 CA PHE A 336 78.323 -6.270 -2.368 1.00 0.00 C ATOM 94 C PHE A 336 77.538 -7.053 -1.312 1.00 0.00 C ATOM 95 O PHE A 336 76.828 -8.004 -1.637 1.00 0.00 O ATOM 96 CB PHE A 336 77.505 -5.079 -2.849 1.00 0.00 C ATOM 97 CG PHE A 336 78.252 -3.775 -2.868 1.00 0.00 C ATOM 98 CD1 PHE A 336 78.940 -3.340 -1.748 1.00 0.00 C ATOM 99 CD2 PHE A 336 78.259 -2.983 -4.005 1.00 0.00 C ATOM 100 CE1 PHE A 336 79.621 -2.137 -1.760 1.00 0.00 C ATOM 101 CE2 PHE A 336 78.939 -1.780 -4.024 1.00 0.00 C ATOM 102 CZ PHE A 336 79.621 -1.356 -2.900 1.00 0.00 C ATOM 0 H PHE A 336 77.825 -7.245 -4.131 1.00 0.00 H new ATOM 0 HA PHE A 336 79.252 -5.936 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 336 77.139 -5.288 -3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 336 76.630 -4.973 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 336 78.945 -3.947 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 336 77.727 -3.310 -4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 336 80.152 -1.808 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 336 78.937 -1.172 -4.917 1.00 0.00 H new ATOM 0 HZ PHE A 336 80.153 -0.416 -2.912 1.00 0.00 H new ATOM 112 N SER A 337 77.664 -6.643 -0.052 1.00 0.00 N ATOM 113 CA SER A 337 76.956 -7.306 1.043 1.00 0.00 C ATOM 114 C SER A 337 76.322 -6.277 1.978 1.00 0.00 C ATOM 115 O SER A 337 76.982 -5.341 2.420 1.00 0.00 O ATOM 116 CB SER A 337 77.916 -8.202 1.828 1.00 0.00 C ATOM 117 OG SER A 337 77.276 -9.397 2.240 1.00 0.00 O ATOM 0 H SER A 337 78.247 -5.858 0.237 1.00 0.00 H new ATOM 0 HA SER A 337 76.164 -7.921 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 337 78.781 -8.443 1.210 1.00 0.00 H new ATOM 0 HB3 SER A 337 78.288 -7.665 2.701 1.00 0.00 H new ATOM 0 HG SER A 337 77.911 -9.953 2.738 1.00 0.00 H new ATOM 123 N THR A 338 75.037 -6.451 2.276 1.00 0.00 N ATOM 124 CA THR A 338 74.333 -5.521 3.155 1.00 0.00 C ATOM 125 C THR A 338 74.567 -5.848 4.625 1.00 0.00 C ATOM 126 O THR A 338 74.597 -7.013 5.023 1.00 0.00 O ATOM 127 CB THR A 338 72.832 -5.523 2.861 1.00 0.00 C ATOM 128 OG1 THR A 338 72.584 -5.181 1.508 1.00 0.00 O ATOM 129 CG2 THR A 338 72.054 -4.554 3.731 1.00 0.00 C ATOM 0 H THR A 338 74.466 -7.220 1.925 1.00 0.00 H new ATOM 0 HA THR A 338 74.736 -4.528 2.956 1.00 0.00 H new ATOM 0 HB THR A 338 72.495 -6.536 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 338 72.097 -4.331 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 338 70.996 -4.603 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 338 72.185 -4.821 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 338 72.421 -3.541 3.566 1.00 0.00 H new ATOM 137 N LYS A 339 74.723 -4.799 5.423 1.00 0.00 N ATOM 138 CA LYS A 339 74.948 -4.936 6.853 1.00 0.00 C ATOM 139 C LYS A 339 74.248 -3.808 7.605 1.00 0.00 C ATOM 140 O LYS A 339 74.282 -2.648 7.180 1.00 0.00 O ATOM 141 CB LYS A 339 76.447 -4.923 7.162 1.00 0.00 C ATOM 142 CG LYS A 339 76.852 -5.908 8.247 1.00 0.00 C ATOM 143 CD LYS A 339 78.002 -5.372 9.085 1.00 0.00 C ATOM 144 CE LYS A 339 77.498 -4.647 10.322 1.00 0.00 C ATOM 145 NZ LYS A 339 77.353 -5.566 11.484 1.00 0.00 N ATOM 0 H LYS A 339 74.697 -3.833 5.097 1.00 0.00 H new ATOM 0 HA LYS A 339 74.534 -5.890 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 339 77.000 -5.151 6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 339 76.738 -3.918 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 339 75.997 -6.114 8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 339 77.143 -6.854 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 339 78.651 -6.195 9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 339 78.606 -4.692 8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 339 78.189 -3.844 10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 339 76.536 -4.183 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 77.007 -5.033 12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 76.675 -6.318 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 78.276 -5.990 11.709 1.00 0.00 H new ATOM 159 N SER A 340 73.608 -4.159 8.717 1.00 0.00 N ATOM 160 CA SER A 340 72.889 -3.185 9.531 1.00 0.00 C ATOM 161 C SER A 340 73.485 -3.112 10.940 1.00 0.00 C ATOM 162 O SER A 340 74.683 -3.330 11.122 1.00 0.00 O ATOM 163 CB SER A 340 71.404 -3.554 9.592 1.00 0.00 C ATOM 164 OG SER A 340 70.655 -2.548 10.252 1.00 0.00 O ATOM 0 H SER A 340 73.573 -5.113 9.075 1.00 0.00 H new ATOM 0 HA SER A 340 72.989 -2.201 9.072 1.00 0.00 H new ATOM 0 HB2 SER A 340 71.019 -3.694 8.582 1.00 0.00 H new ATOM 0 HB3 SER A 340 71.283 -4.503 10.114 1.00 0.00 H new ATOM 0 HG SER A 340 69.710 -2.807 10.276 1.00 0.00 H new ATOM 224 N GLN A 344 78.759 1.666 10.748 1.00 0.00 N ATOM 225 CA GLN A 344 79.012 3.103 10.679 1.00 0.00 C ATOM 226 C GLN A 344 77.983 3.807 9.796 1.00 0.00 C ATOM 227 O GLN A 344 77.061 3.181 9.274 1.00 0.00 O ATOM 228 CB GLN A 344 80.421 3.366 10.145 1.00 0.00 C ATOM 229 CG GLN A 344 81.496 3.328 11.219 1.00 0.00 C ATOM 230 CD GLN A 344 81.332 4.431 12.247 1.00 0.00 C ATOM 231 OE1 GLN A 344 80.897 4.186 13.373 1.00 0.00 O ATOM 232 NE2 GLN A 344 81.679 5.654 11.864 1.00 0.00 N ATOM 0 HA GLN A 344 78.927 3.506 11.688 1.00 0.00 H new ATOM 0 HB2 GLN A 344 80.656 2.624 9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 344 80.440 4.341 9.658 1.00 0.00 H new ATOM 0 HG2 GLN A 344 81.469 2.361 11.721 1.00 0.00 H new ATOM 0 HG3 GLN A 344 82.476 3.416 10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 344 82.035 5.811 10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 344 81.590 6.436 12.513 1.00 0.00 H new ATOM 241 N VAL A 345 78.155 5.115 9.632 1.00 0.00 N ATOM 242 CA VAL A 345 77.253 5.915 8.812 1.00 0.00 C ATOM 243 C VAL A 345 77.620 5.806 7.333 1.00 0.00 C ATOM 244 O VAL A 345 78.798 5.732 6.984 1.00 0.00 O ATOM 245 CB VAL A 345 77.284 7.398 9.231 1.00 0.00 C ATOM 246 CG1 VAL A 345 78.683 7.975 9.066 1.00 0.00 C ATOM 247 CG2 VAL A 345 76.271 8.198 8.428 1.00 0.00 C ATOM 0 H VAL A 345 78.915 5.645 10.059 1.00 0.00 H new ATOM 0 HA VAL A 345 76.247 5.524 8.965 1.00 0.00 H new ATOM 0 HB VAL A 345 77.014 7.464 10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 345 78.682 9.023 9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 345 79.382 7.418 9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 345 78.988 7.898 8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 345 76.306 9.243 8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 345 76.508 8.125 7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 345 75.271 7.801 8.605 1.00 0.00 H new ATOM 257 N CYS A 346 76.602 5.792 6.470 1.00 0.00 N ATOM 258 CA CYS A 346 76.804 5.690 5.021 1.00 0.00 C ATOM 259 C CYS A 346 78.033 6.482 4.567 1.00 0.00 C ATOM 260 O CYS A 346 78.287 7.584 5.053 1.00 0.00 O ATOM 261 CB CYS A 346 75.554 6.188 4.285 1.00 0.00 C ATOM 262 SG CYS A 346 75.699 6.188 2.467 1.00 0.00 S ATOM 0 H CYS A 346 75.623 5.850 6.751 1.00 0.00 H new ATOM 0 HA CYS A 346 76.977 4.642 4.778 1.00 0.00 H new ATOM 0 HB2 CYS A 346 74.707 5.564 4.570 1.00 0.00 H new ATOM 0 HB3 CYS A 346 75.330 7.201 4.619 1.00 0.00 H new ATOM 0 HG CYS A 346 76.737 5.489 2.114 1.00 0.00 H new ATOM 267 N ASN A 347 78.795 5.907 3.638 1.00 0.00 N ATOM 268 CA ASN A 347 80.002 6.553 3.124 1.00 0.00 C ATOM 269 C ASN A 347 79.716 7.344 1.850 1.00 0.00 C ATOM 270 O ASN A 347 80.590 7.507 0.998 1.00 0.00 O ATOM 271 CB ASN A 347 81.084 5.512 2.845 1.00 0.00 C ATOM 272 CG ASN A 347 82.126 5.449 3.945 1.00 0.00 C ATOM 273 OD1 ASN A 347 83.272 5.858 3.754 1.00 0.00 O ATOM 274 ND2 ASN A 347 81.732 4.936 5.104 1.00 0.00 N ATOM 0 H ASN A 347 78.598 4.995 3.226 1.00 0.00 H new ATOM 0 HA ASN A 347 80.351 7.248 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 347 80.620 4.532 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 347 81.573 5.745 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 347 82.389 4.868 5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 347 80.772 4.609 5.217 1.00 0.00 H new ATOM 281 N VAL A 348 78.494 7.834 1.728 1.00 0.00 N ATOM 282 CA VAL A 348 78.092 8.609 0.560 1.00 0.00 C ATOM 283 C VAL A 348 77.377 9.893 0.972 1.00 0.00 C ATOM 284 O VAL A 348 77.901 10.992 0.789 1.00 0.00 O ATOM 285 CB VAL A 348 77.170 7.795 -0.368 1.00 0.00 C ATOM 286 CG1 VAL A 348 76.981 8.512 -1.696 1.00 0.00 C ATOM 287 CG2 VAL A 348 77.730 6.396 -0.585 1.00 0.00 C ATOM 0 H VAL A 348 77.759 7.710 2.424 1.00 0.00 H new ATOM 0 HA VAL A 348 79.004 8.861 0.020 1.00 0.00 H new ATOM 0 HB VAL A 348 76.195 7.701 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 348 76.327 7.922 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 348 76.532 9.490 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 348 77.948 8.639 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 348 77.065 5.836 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 348 78.718 6.466 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 348 77.809 5.883 0.373 1.00 0.00 H new ATOM 297 N CYS A 349 76.181 9.746 1.533 1.00 0.00 N ATOM 298 CA CYS A 349 75.398 10.895 1.975 1.00 0.00 C ATOM 299 C CYS A 349 75.798 11.305 3.388 1.00 0.00 C ATOM 300 O CYS A 349 75.842 12.491 3.714 1.00 0.00 O ATOM 301 CB CYS A 349 73.904 10.572 1.927 1.00 0.00 C ATOM 302 SG CYS A 349 73.439 9.072 2.850 1.00 0.00 S ATOM 0 H CYS A 349 75.733 8.844 1.692 1.00 0.00 H new ATOM 0 HA CYS A 349 75.601 11.727 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 349 73.347 11.419 2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 349 73.602 10.454 0.886 1.00 0.00 H new ATOM 0 HG CYS A 349 72.644 8.344 2.123 1.00 0.00 H new ATOM 307 N GLN A 350 76.095 10.311 4.219 1.00 0.00 N ATOM 308 CA GLN A 350 76.500 10.556 5.599 1.00 0.00 C ATOM 309 C GLN A 350 75.381 11.216 6.399 1.00 0.00 C ATOM 310 O GLN A 350 75.363 12.436 6.566 1.00 0.00 O ATOM 311 CB GLN A 350 77.755 11.433 5.635 1.00 0.00 C ATOM 312 CG GLN A 350 79.050 10.640 5.677 1.00 0.00 C ATOM 313 CD GLN A 350 80.275 11.529 5.766 1.00 0.00 C ATOM 314 OE1 GLN A 350 80.171 12.722 6.052 1.00 0.00 O ATOM 315 NE2 GLN A 350 81.445 10.951 5.519 1.00 0.00 N ATOM 0 H GLN A 350 76.063 9.325 3.960 1.00 0.00 H new ATOM 0 HA GLN A 350 76.721 9.592 6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 350 77.762 12.078 4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 350 77.709 12.084 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 350 79.032 9.966 6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 350 79.120 10.019 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 350 81.485 9.959 5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 350 82.304 11.499 5.563 1.00 0.00 H new ATOM 324 N LYS A 351 74.455 10.404 6.901 1.00 0.00 N ATOM 325 CA LYS A 351 73.342 10.917 7.694 1.00 0.00 C ATOM 326 C LYS A 351 73.036 9.985 8.871 1.00 0.00 C ATOM 327 O LYS A 351 73.893 9.208 9.288 1.00 0.00 O ATOM 328 CB LYS A 351 72.104 11.120 6.814 1.00 0.00 C ATOM 329 CG LYS A 351 71.525 9.836 6.250 1.00 0.00 C ATOM 330 CD LYS A 351 70.337 10.119 5.340 1.00 0.00 C ATOM 331 CE LYS A 351 70.500 9.454 3.982 1.00 0.00 C ATOM 332 NZ LYS A 351 69.190 9.040 3.406 1.00 0.00 N ATOM 0 H LYS A 351 74.453 9.392 6.774 1.00 0.00 H new ATOM 0 HA LYS A 351 73.629 11.886 8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 351 71.336 11.626 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 351 72.364 11.782 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 351 72.294 9.302 5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 351 71.213 9.185 7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 351 69.422 9.762 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 351 70.228 11.195 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 351 70.996 10.142 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 351 71.146 8.581 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 69.325 8.732 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 68.798 8.255 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 68.531 9.844 3.429 1.00 0.00 H new ATOM 346 N SER A 352 71.827 10.080 9.421 1.00 0.00 N ATOM 347 CA SER A 352 71.445 9.255 10.565 1.00 0.00 C ATOM 348 C SER A 352 70.781 7.946 10.139 1.00 0.00 C ATOM 349 O SER A 352 69.577 7.902 9.886 1.00 0.00 O ATOM 350 CB SER A 352 70.502 10.035 11.484 1.00 0.00 C ATOM 351 OG SER A 352 70.766 9.750 12.847 1.00 0.00 O ATOM 0 H SER A 352 71.099 10.716 9.095 1.00 0.00 H new ATOM 0 HA SER A 352 72.361 9.002 11.100 1.00 0.00 H new ATOM 0 HB2 SER A 352 70.616 11.104 11.304 1.00 0.00 H new ATOM 0 HB3 SER A 352 69.468 9.781 11.250 1.00 0.00 H new ATOM 0 HG SER A 352 70.151 10.262 13.413 1.00 0.00 H new ATOM 357 N MET A 353 71.574 6.877 10.081 1.00 0.00 N ATOM 358 CA MET A 353 71.067 5.558 9.709 1.00 0.00 C ATOM 359 C MET A 353 72.172 4.515 9.815 1.00 0.00 C ATOM 360 O MET A 353 73.312 4.844 10.142 1.00 0.00 O ATOM 361 CB MET A 353 70.483 5.558 8.290 1.00 0.00 C ATOM 362 CG MET A 353 71.152 6.531 7.330 1.00 0.00 C ATOM 363 SD MET A 353 70.048 7.048 6.001 1.00 0.00 S ATOM 364 CE MET A 353 68.658 7.681 6.937 1.00 0.00 C ATOM 0 H MET A 353 72.573 6.899 10.288 1.00 0.00 H new ATOM 0 HA MET A 353 70.266 5.306 10.404 1.00 0.00 H new ATOM 0 HB2 MET A 353 70.561 4.551 7.879 1.00 0.00 H new ATOM 0 HB3 MET A 353 69.421 5.797 8.348 1.00 0.00 H new ATOM 0 HG2 MET A 353 71.489 7.409 7.882 1.00 0.00 H new ATOM 0 HG3 MET A 353 72.039 6.064 6.902 1.00 0.00 H new ATOM 0 HE1 MET A 353 67.981 8.213 6.268 1.00 0.00 H new ATOM 0 HE2 MET A 353 68.128 6.852 7.406 1.00 0.00 H new ATOM 0 HE3 MET A 353 69.018 8.364 7.707 1.00 0.00 H new ATOM 374 N ILE A 354 71.853 3.270 9.475 1.00 0.00 N ATOM 375 CA ILE A 354 72.825 2.229 9.467 1.00 0.00 C ATOM 376 C ILE A 354 72.572 1.355 8.278 1.00 0.00 C ATOM 377 O ILE A 354 71.841 0.365 8.310 1.00 0.00 O ATOM 378 CB ILE A 354 72.768 1.373 10.728 1.00 0.00 C ATOM 379 CG1 ILE A 354 73.223 2.187 11.936 1.00 0.00 C ATOM 380 CG2 ILE A 354 73.610 0.111 10.568 1.00 0.00 C ATOM 381 CD1 ILE A 354 72.082 2.770 12.740 1.00 0.00 C ATOM 0 H ILE A 354 70.915 2.975 9.202 1.00 0.00 H new ATOM 0 HA ILE A 354 73.812 2.689 9.424 1.00 0.00 H new ATOM 0 HB ILE A 354 71.736 1.062 10.891 1.00 0.00 H new ATOM 0 HG12 ILE A 354 73.826 1.552 12.585 1.00 0.00 H new ATOM 0 HG13 ILE A 354 73.867 2.998 11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 354 73.553 -0.483 11.480 1.00 0.00 H new ATOM 0 HG22 ILE A 354 73.232 -0.475 9.730 1.00 0.00 H new ATOM 0 HG23 ILE A 354 74.647 0.387 10.379 1.00 0.00 H new ATOM 0 HD11 ILE A 354 72.482 3.335 13.582 1.00 0.00 H new ATOM 0 HD12 ILE A 354 71.491 3.432 12.107 1.00 0.00 H new ATOM 0 HD13 ILE A 354 71.450 1.964 13.112 1.00 0.00 H new ATOM 393 N PHE A 355 73.241 1.743 7.273 1.00 0.00 N ATOM 394 CA PHE A 355 73.243 1.063 5.989 1.00 0.00 C ATOM 395 C PHE A 355 74.658 1.031 5.432 1.00 0.00 C ATOM 396 O PHE A 355 75.271 2.082 5.240 1.00 0.00 O ATOM 397 CB PHE A 355 72.301 1.763 5.011 1.00 0.00 C ATOM 398 CG PHE A 355 70.932 1.148 4.951 1.00 0.00 C ATOM 399 CD1 PHE A 355 70.773 -0.188 4.617 1.00 0.00 C ATOM 400 CD2 PHE A 355 69.805 1.904 5.230 1.00 0.00 C ATOM 401 CE1 PHE A 355 69.515 -0.757 4.562 1.00 0.00 C ATOM 402 CE2 PHE A 355 68.545 1.340 5.176 1.00 0.00 C ATOM 403 CZ PHE A 355 68.399 0.007 4.842 1.00 0.00 C ATOM 0 H PHE A 355 73.835 2.572 7.292 1.00 0.00 H new ATOM 0 HA PHE A 355 72.890 0.041 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 355 72.207 2.811 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 355 72.744 1.742 4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 355 71.642 -0.791 4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 355 69.913 2.946 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 355 69.404 -1.799 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 355 67.674 1.941 5.395 1.00 0.00 H new ATOM 0 HZ PHE A 355 67.415 -0.436 4.800 1.00 0.00 H new ATOM 413 N GLY A 356 75.184 -0.158 5.171 1.00 0.00 N ATOM 414 CA GLY A 356 76.530 -0.239 4.640 1.00 0.00 C ATOM 415 C GLY A 356 76.764 -1.445 3.766 1.00 0.00 C ATOM 416 O GLY A 356 76.655 -2.581 4.215 1.00 0.00 O ATOM 0 H GLY A 356 74.714 -1.052 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.739 0.662 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 356 77.238 -0.259 5.469 1.00 0.00 H new ATOM 420 N VAL A 357 77.120 -1.190 2.521 1.00 0.00 N ATOM 421 CA VAL A 357 77.408 -2.259 1.578 1.00 0.00 C ATOM 422 C VAL A 357 78.911 -2.358 1.362 1.00 0.00 C ATOM 423 O VAL A 357 79.588 -1.346 1.196 1.00 0.00 O ATOM 424 CB VAL A 357 76.694 -2.046 0.225 1.00 0.00 C ATOM 425 CG1 VAL A 357 75.187 -1.992 0.423 1.00 0.00 C ATOM 426 CG2 VAL A 357 77.192 -0.783 -0.467 1.00 0.00 C ATOM 0 H VAL A 357 77.217 -0.250 2.137 1.00 0.00 H new ATOM 0 HA VAL A 357 77.031 -3.189 2.003 1.00 0.00 H new ATOM 0 HB VAL A 357 76.929 -2.893 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 357 74.699 -1.841 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 357 74.844 -2.929 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 357 74.937 -1.167 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.672 -0.659 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 357 76.998 0.081 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 357 78.264 -0.866 -0.649 1.00 0.00 H new ATOM 436 N LYS A 358 79.436 -3.574 1.386 1.00 0.00 N ATOM 437 CA LYS A 358 80.865 -3.779 1.212 1.00 0.00 C ATOM 438 C LYS A 358 81.164 -4.578 -0.047 1.00 0.00 C ATOM 439 O LYS A 358 80.720 -5.717 -0.192 1.00 0.00 O ATOM 440 CB LYS A 358 81.446 -4.495 2.432 1.00 0.00 C ATOM 441 CG LYS A 358 82.954 -4.678 2.371 1.00 0.00 C ATOM 442 CD LYS A 358 83.549 -4.864 3.758 1.00 0.00 C ATOM 443 CE LYS A 358 82.978 -6.091 4.451 1.00 0.00 C ATOM 444 NZ LYS A 358 82.727 -5.845 5.898 1.00 0.00 N ATOM 0 H LYS A 358 78.897 -4.429 1.523 1.00 0.00 H new ATOM 0 HA LYS A 358 81.332 -2.799 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 358 81.193 -3.929 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 358 80.974 -5.473 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 358 83.192 -5.544 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 358 83.408 -3.810 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 358 84.632 -4.960 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 358 83.350 -3.979 4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 358 82.047 -6.382 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 358 83.670 -6.926 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 82.338 -6.705 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 83.620 -5.592 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 82.047 -5.065 6.005 1.00 0.00 H new ATOM 458 N CYS A 359 81.934 -3.978 -0.946 1.00 0.00 N ATOM 459 CA CYS A 359 82.313 -4.639 -2.185 1.00 0.00 C ATOM 460 C CYS A 359 83.746 -5.136 -2.084 1.00 0.00 C ATOM 461 O CYS A 359 84.637 -4.395 -1.664 1.00 0.00 O ATOM 462 CB CYS A 359 82.159 -3.693 -3.385 1.00 0.00 C ATOM 463 SG CYS A 359 83.563 -2.557 -3.658 1.00 0.00 S ATOM 0 H CYS A 359 82.307 -3.035 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 359 81.648 -5.488 -2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 359 82.016 -4.292 -4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 359 81.254 -3.101 -3.248 1.00 0.00 H new ATOM 0 HG CYS A 359 83.126 -1.440 -4.160 1.00 0.00 H new ATOM 468 N LYS A 360 83.971 -6.382 -2.474 1.00 0.00 N ATOM 469 CA LYS A 360 85.268 -6.954 -2.436 1.00 0.00 C ATOM 470 C LYS A 360 86.045 -6.545 -3.667 1.00 0.00 C ATOM 471 O LYS A 360 85.635 -5.664 -4.422 1.00 0.00 O ATOM 472 CB LYS A 360 85.136 -8.471 -2.351 1.00 0.00 C ATOM 473 CG LYS A 360 85.437 -9.040 -0.973 1.00 0.00 C ATOM 474 CD LYS A 360 84.619 -8.350 0.106 1.00 0.00 C ATOM 475 CE LYS A 360 83.143 -8.696 -0.005 1.00 0.00 C ATOM 476 NZ LYS A 360 82.761 -9.803 0.914 1.00 0.00 N ATOM 0 H LYS A 360 83.245 -7.008 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 360 85.811 -6.597 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 360 84.123 -8.754 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 360 85.811 -8.926 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 360 85.223 -10.109 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 360 86.499 -8.925 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 360 84.989 -8.644 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 360 84.747 -7.271 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 360 82.545 -7.813 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 360 82.913 -8.981 -1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 81.747 -10.008 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 83.313 -10.653 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 82.956 -9.522 1.896 1.00 0.00 H new ATOM 490 N HIS A 361 87.164 -7.191 -3.847 1.00 0.00 N ATOM 491 CA HIS A 361 88.053 -6.928 -4.977 1.00 0.00 C ATOM 492 C HIS A 361 88.700 -5.545 -4.867 1.00 0.00 C ATOM 493 O HIS A 361 89.848 -5.354 -5.270 1.00 0.00 O ATOM 494 CB HIS A 361 87.287 -7.039 -6.298 1.00 0.00 C ATOM 495 CG HIS A 361 86.429 -8.262 -6.392 1.00 0.00 C ATOM 496 ND1 HIS A 361 85.079 -8.259 -6.111 1.00 0.00 N ATOM 497 CD2 HIS A 361 86.736 -9.534 -6.741 1.00 0.00 C ATOM 498 CE1 HIS A 361 84.593 -9.475 -6.281 1.00 0.00 C ATOM 499 NE2 HIS A 361 85.577 -10.267 -6.664 1.00 0.00 N ATOM 0 H HIS A 361 87.499 -7.921 -3.218 1.00 0.00 H new ATOM 0 HA HIS A 361 88.843 -7.678 -4.956 1.00 0.00 H new ATOM 0 HB2 HIS A 361 86.660 -6.155 -6.420 1.00 0.00 H new ATOM 0 HB3 HIS A 361 88.000 -7.041 -7.123 1.00 0.00 H new ATOM 0 HD2 HIS A 361 87.710 -9.903 -7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 361 83.565 -9.771 -6.132 1.00 0.00 H new ATOM 0 HE2 HIS A 361 85.491 -11.262 -6.870 1.00 0.00 H new ATOM 508 N CYS A 362 87.954 -4.582 -4.331 1.00 0.00 N ATOM 509 CA CYS A 362 88.446 -3.216 -4.178 1.00 0.00 C ATOM 510 C CYS A 362 88.274 -2.724 -2.742 1.00 0.00 C ATOM 511 O CYS A 362 89.096 -1.958 -2.238 1.00 0.00 O ATOM 512 CB CYS A 362 87.707 -2.269 -5.134 1.00 0.00 C ATOM 513 SG CYS A 362 86.680 -3.100 -6.392 1.00 0.00 S ATOM 0 H CYS A 362 87.002 -4.724 -3.994 1.00 0.00 H new ATOM 0 HA CYS A 362 89.509 -3.220 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 362 87.072 -1.606 -4.547 1.00 0.00 H new ATOM 0 HB3 CYS A 362 88.440 -1.642 -5.641 1.00 0.00 H new ATOM 0 HG CYS A 362 85.439 -2.743 -6.244 1.00 0.00 H new ATOM 518 N ARG A 363 87.199 -3.165 -2.090 1.00 0.00 N ATOM 519 CA ARG A 363 86.909 -2.772 -0.718 1.00 0.00 C ATOM 520 C ARG A 363 86.342 -1.357 -0.656 1.00 0.00 C ATOM 521 O ARG A 363 87.087 -0.379 -0.599 1.00 0.00 O ATOM 522 CB ARG A 363 88.160 -2.879 0.151 1.00 0.00 C ATOM 523 CG ARG A 363 87.890 -3.531 1.490 1.00 0.00 C ATOM 524 CD ARG A 363 87.803 -5.043 1.366 1.00 0.00 C ATOM 525 NE ARG A 363 88.440 -5.723 2.492 1.00 0.00 N ATOM 526 CZ ARG A 363 88.021 -5.626 3.752 1.00 0.00 C ATOM 527 NH1 ARG A 363 86.964 -4.883 4.054 1.00 0.00 N ATOM 528 NH2 ARG A 363 88.662 -6.275 4.715 1.00 0.00 N ATOM 0 H ARG A 363 86.512 -3.799 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 363 86.155 -3.457 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 363 88.918 -3.453 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 363 88.570 -1.882 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 363 88.682 -3.267 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 363 86.958 -3.145 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 363 86.757 -5.342 1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 363 88.278 -5.358 0.437 1.00 0.00 H new ATOM 0 HE ARG A 363 89.254 -6.307 2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 363 86.466 -4.381 3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 363 86.649 -4.814 5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 363 89.475 -6.848 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 363 88.342 -6.201 5.681 1.00 0.00 H new ATOM 542 N LEU A 364 85.016 -1.261 -0.665 1.00 0.00 N ATOM 543 CA LEU A 364 84.338 0.033 -0.606 1.00 0.00 C ATOM 544 C LEU A 364 83.090 -0.050 0.269 1.00 0.00 C ATOM 545 O LEU A 364 82.509 -1.122 0.429 1.00 0.00 O ATOM 546 CB LEU A 364 83.956 0.496 -2.014 1.00 0.00 C ATOM 547 CG LEU A 364 83.821 2.010 -2.186 1.00 0.00 C ATOM 548 CD1 LEU A 364 85.076 2.718 -1.701 1.00 0.00 C ATOM 549 CD2 LEU A 364 83.539 2.357 -3.640 1.00 0.00 C ATOM 0 H LEU A 364 84.388 -2.063 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 364 85.024 0.757 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 364 84.707 0.132 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 364 83.010 0.029 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 364 82.981 2.351 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 364 84.960 3.794 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 364 85.234 2.496 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 364 85.934 2.373 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 364 83.446 3.438 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 364 84.359 2.001 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 364 82.610 1.881 -3.954 1.00 0.00 H new ATOM 561 N LYS A 365 82.677 1.084 0.833 1.00 0.00 N ATOM 562 CA LYS A 365 81.495 1.118 1.686 1.00 0.00 C ATOM 563 C LYS A 365 80.507 2.175 1.203 1.00 0.00 C ATOM 564 O LYS A 365 80.882 3.320 0.952 1.00 0.00 O ATOM 565 CB LYS A 365 81.894 1.400 3.135 1.00 0.00 C ATOM 566 CG LYS A 365 80.718 1.408 4.099 1.00 0.00 C ATOM 567 CD LYS A 365 80.289 -0.003 4.467 1.00 0.00 C ATOM 568 CE LYS A 365 79.850 -0.090 5.920 1.00 0.00 C ATOM 569 NZ LYS A 365 80.984 0.138 6.857 1.00 0.00 N ATOM 0 H LYS A 365 83.141 1.985 0.715 1.00 0.00 H new ATOM 0 HA LYS A 365 81.011 0.143 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 365 82.613 0.647 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 365 82.399 2.365 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 365 80.991 1.954 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 365 79.880 1.938 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 365 79.470 -0.316 3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 365 81.115 -0.693 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 365 79.070 0.647 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 365 79.414 -1.071 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 80.767 -0.296 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 81.848 -0.291 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 81.131 1.160 6.982 1.00 0.00 H new ATOM 583 N CYS A 366 79.241 1.783 1.070 1.00 0.00 N ATOM 584 CA CYS A 366 78.196 2.699 0.613 1.00 0.00 C ATOM 585 C CYS A 366 76.822 2.244 1.100 1.00 0.00 C ATOM 586 O CYS A 366 76.624 1.076 1.429 1.00 0.00 O ATOM 587 CB CYS A 366 78.177 2.811 -0.920 1.00 0.00 C ATOM 588 SG CYS A 366 79.741 2.421 -1.745 1.00 0.00 S ATOM 0 H CYS A 366 78.914 0.838 1.272 1.00 0.00 H new ATOM 0 HA CYS A 366 78.423 3.678 1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 366 77.406 2.145 -1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 366 77.886 3.826 -1.190 1.00 0.00 H new ATOM 0 HG CYS A 366 79.597 2.549 -3.031 1.00 0.00 H new ATOM 594 N HIS A 367 75.873 3.176 1.131 1.00 0.00 N ATOM 595 CA HIS A 367 74.506 2.881 1.560 1.00 0.00 C ATOM 596 C HIS A 367 73.973 1.629 0.869 1.00 0.00 C ATOM 597 O HIS A 367 74.626 1.069 -0.010 1.00 0.00 O ATOM 598 CB HIS A 367 73.596 4.061 1.222 1.00 0.00 C ATOM 599 CG HIS A 367 72.895 4.648 2.402 1.00 0.00 C ATOM 600 ND1 HIS A 367 73.162 5.925 2.816 1.00 0.00 N ATOM 601 CD2 HIS A 367 71.951 4.106 3.204 1.00 0.00 C ATOM 602 CE1 HIS A 367 72.381 6.136 3.860 1.00 0.00 C ATOM 603 NE2 HIS A 367 71.627 5.059 4.134 1.00 0.00 N ATOM 0 H HIS A 367 76.026 4.148 0.863 1.00 0.00 H new ATOM 0 HA HIS A 367 74.517 2.710 2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 367 74.190 4.839 0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 367 72.851 3.735 0.496 1.00 0.00 H new ATOM 0 HD1 HIS A 367 73.827 6.579 2.403 1.00 0.00 H new ATOM 0 HD2 HIS A 367 71.533 3.113 3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 367 72.352 7.058 4.422 1.00 0.00 H new ATOM 0 HE2 HIS A 367 70.946 4.968 4.888 1.00 0.00 H new ATOM 611 N ASN A 368 72.770 1.209 1.249 1.00 0.00 N ATOM 612 CA ASN A 368 72.149 0.039 0.638 1.00 0.00 C ATOM 613 C ASN A 368 72.193 0.157 -0.884 1.00 0.00 C ATOM 614 O ASN A 368 72.230 -0.844 -1.599 1.00 0.00 O ATOM 615 CB ASN A 368 70.701 -0.107 1.111 1.00 0.00 C ATOM 616 CG ASN A 368 70.230 -1.548 1.094 1.00 0.00 C ATOM 617 OD1 ASN A 368 71.032 -2.477 1.191 1.00 0.00 O ATOM 618 ND2 ASN A 368 68.922 -1.741 0.970 1.00 0.00 N ATOM 0 H ASN A 368 72.209 1.658 1.973 1.00 0.00 H new ATOM 0 HA ASN A 368 72.705 -0.848 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 368 70.610 0.290 2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 368 70.051 0.492 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 368 68.546 -2.689 0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 368 68.294 -0.941 0.893 1.00 0.00 H new ATOM 625 N LYS A 369 72.203 1.399 -1.365 1.00 0.00 N ATOM 626 CA LYS A 369 72.258 1.675 -2.794 1.00 0.00 C ATOM 627 C LYS A 369 72.288 3.179 -3.049 1.00 0.00 C ATOM 628 O LYS A 369 71.318 3.761 -3.535 1.00 0.00 O ATOM 629 CB LYS A 369 71.070 1.037 -3.513 1.00 0.00 C ATOM 630 CG LYS A 369 71.444 0.414 -4.846 1.00 0.00 C ATOM 631 CD LYS A 369 72.312 -0.820 -4.659 1.00 0.00 C ATOM 632 CE LYS A 369 72.494 -1.576 -5.965 1.00 0.00 C ATOM 633 NZ LYS A 369 72.549 -3.049 -5.751 1.00 0.00 N ATOM 0 H LYS A 369 72.173 2.233 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 369 73.175 1.238 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 369 70.633 0.272 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 369 70.302 1.794 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 369 70.539 0.145 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 369 71.976 1.146 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 369 73.286 -0.525 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 369 71.857 -1.477 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 369 71.672 -1.338 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 369 73.412 -1.245 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 72.674 -3.528 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 73.349 -3.280 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 71.663 -3.369 -5.310 1.00 0.00 H new ATOM 647 N CYS A 370 73.415 3.801 -2.714 1.00 0.00 N ATOM 648 CA CYS A 370 73.589 5.239 -2.900 1.00 0.00 C ATOM 649 C CYS A 370 74.508 5.521 -4.085 1.00 0.00 C ATOM 650 O CYS A 370 75.172 6.556 -4.134 1.00 0.00 O ATOM 651 CB CYS A 370 74.169 5.874 -1.631 1.00 0.00 C ATOM 652 SG CYS A 370 72.937 6.710 -0.575 1.00 0.00 S ATOM 0 H CYS A 370 74.225 3.330 -2.311 1.00 0.00 H new ATOM 0 HA CYS A 370 72.611 5.677 -3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 370 74.665 5.100 -1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 370 74.934 6.596 -1.918 1.00 0.00 H new ATOM 0 HG CYS A 370 73.528 7.209 0.469 1.00 0.00 H new ATOM 657 N THR A 371 74.546 4.593 -5.037 1.00 0.00 N ATOM 658 CA THR A 371 75.389 4.740 -6.219 1.00 0.00 C ATOM 659 C THR A 371 75.065 6.029 -6.969 1.00 0.00 C ATOM 660 O THR A 371 75.939 6.633 -7.591 1.00 0.00 O ATOM 661 CB THR A 371 75.214 3.537 -7.148 1.00 0.00 C ATOM 662 OG1 THR A 371 74.632 2.447 -6.454 1.00 0.00 O ATOM 663 CG2 THR A 371 76.515 3.053 -7.751 1.00 0.00 C ATOM 0 H THR A 371 74.002 3.730 -5.013 1.00 0.00 H new ATOM 0 HA THR A 371 76.426 4.789 -5.888 1.00 0.00 H new ATOM 0 HB THR A 371 74.566 3.885 -7.952 1.00 0.00 H new ATOM 0 HG1 THR A 371 74.527 1.688 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 371 76.320 2.199 -8.399 1.00 0.00 H new ATOM 0 HG22 THR A 371 76.966 3.855 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 371 77.197 2.756 -6.954 1.00 0.00 H new ATOM 671 N LYS A 372 73.804 6.444 -6.907 1.00 0.00 N ATOM 672 CA LYS A 372 73.367 7.661 -7.582 1.00 0.00 C ATOM 673 C LYS A 372 74.066 8.891 -7.007 1.00 0.00 C ATOM 674 O LYS A 372 74.210 9.907 -7.687 1.00 0.00 O ATOM 675 CB LYS A 372 71.850 7.820 -7.460 1.00 0.00 C ATOM 676 CG LYS A 372 71.323 7.580 -6.055 1.00 0.00 C ATOM 677 CD LYS A 372 70.701 6.199 -5.920 1.00 0.00 C ATOM 678 CE LYS A 372 69.218 6.222 -6.255 1.00 0.00 C ATOM 679 NZ LYS A 372 68.448 7.075 -5.309 1.00 0.00 N ATOM 0 H LYS A 372 73.067 5.956 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 372 73.635 7.575 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 372 71.572 8.825 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 372 71.364 7.125 -8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 372 72.137 7.685 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 372 70.581 8.340 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 372 71.214 5.501 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 372 70.840 5.834 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 372 69.081 6.592 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 372 68.824 5.206 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 67.467 6.735 -5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 68.884 7.028 -4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 68.455 8.059 -5.645 1.00 0.00 H new ATOM 693 N GLU A 373 74.497 8.794 -5.753 1.00 0.00 N ATOM 694 CA GLU A 373 75.178 9.903 -5.092 1.00 0.00 C ATOM 695 C GLU A 373 76.657 9.590 -4.880 1.00 0.00 C ATOM 696 O GLU A 373 77.495 10.492 -4.859 1.00 0.00 O ATOM 697 CB GLU A 373 74.514 10.208 -3.749 1.00 0.00 C ATOM 698 CG GLU A 373 73.130 10.823 -3.879 1.00 0.00 C ATOM 699 CD GLU A 373 72.747 11.657 -2.672 1.00 0.00 C ATOM 700 OE1 GLU A 373 73.565 12.502 -2.250 1.00 0.00 O ATOM 701 OE2 GLU A 373 71.629 11.466 -2.150 1.00 0.00 O ATOM 0 H GLU A 373 74.387 7.961 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 373 75.100 10.778 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 373 74.440 9.286 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 373 75.152 10.887 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 373 73.096 11.446 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 373 72.395 10.030 -4.016 1.00 0.00 H new ATOM 708 N ALA A 374 76.971 8.309 -4.721 1.00 0.00 N ATOM 709 CA ALA A 374 78.348 7.880 -4.507 1.00 0.00 C ATOM 710 C ALA A 374 79.063 7.640 -5.834 1.00 0.00 C ATOM 711 O ALA A 374 78.431 7.583 -6.888 1.00 0.00 O ATOM 712 CB ALA A 374 78.381 6.622 -3.651 1.00 0.00 C ATOM 0 H ALA A 374 76.290 7.549 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 374 78.874 8.678 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 374 79.415 6.312 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 374 77.918 6.826 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 374 77.834 5.825 -4.154 1.00 0.00 H new ATOM 718 N PRO A 375 80.399 7.496 -5.797 1.00 0.00 N ATOM 719 CA PRO A 375 81.201 7.261 -6.998 1.00 0.00 C ATOM 720 C PRO A 375 81.112 5.817 -7.481 1.00 0.00 C ATOM 721 O PRO A 375 80.268 5.049 -7.020 1.00 0.00 O ATOM 722 CB PRO A 375 82.620 7.582 -6.533 1.00 0.00 C ATOM 723 CG PRO A 375 82.620 7.248 -5.081 1.00 0.00 C ATOM 724 CD PRO A 375 81.232 7.550 -4.579 1.00 0.00 C ATOM 0 HA PRO A 375 80.864 7.862 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 375 83.359 6.993 -7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 375 82.865 8.631 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 375 82.871 6.199 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 375 83.364 7.838 -4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 375 80.906 6.819 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 375 81.183 8.530 -4.103 1.00 0.00 H new ATOM 732 N ALA A 376 81.990 5.454 -8.410 1.00 0.00 N ATOM 733 CA ALA A 376 82.011 4.102 -8.953 1.00 0.00 C ATOM 734 C ALA A 376 83.061 3.248 -8.251 1.00 0.00 C ATOM 735 O ALA A 376 84.149 3.725 -7.929 1.00 0.00 O ATOM 736 CB ALA A 376 82.273 4.139 -10.451 1.00 0.00 C ATOM 0 H ALA A 376 82.696 6.077 -8.802 1.00 0.00 H new ATOM 0 HA ALA A 376 81.035 3.650 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 376 82.286 3.122 -10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 376 81.485 4.708 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 376 83.236 4.613 -10.640 1.00 0.00 H new ATOM 742 N CYS A 377 82.728 1.982 -8.017 1.00 0.00 N ATOM 743 CA CYS A 377 83.644 1.061 -7.354 1.00 0.00 C ATOM 744 C CYS A 377 84.957 0.952 -8.124 1.00 0.00 C ATOM 745 O CYS A 377 85.227 1.746 -9.026 1.00 0.00 O ATOM 746 CB CYS A 377 82.999 -0.320 -7.215 1.00 0.00 C ATOM 747 SG CYS A 377 83.189 -1.067 -5.564 1.00 0.00 S ATOM 0 H CYS A 377 81.831 1.571 -8.277 1.00 0.00 H new ATOM 0 HA CYS A 377 83.860 1.453 -6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 377 81.937 -0.238 -7.445 1.00 0.00 H new ATOM 0 HB3 CYS A 377 83.435 -0.989 -7.957 1.00 0.00 H new ATOM 0 HG CYS A 377 83.570 -2.304 -5.688 1.00 0.00 H new