USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=18 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 360 LYS NZ :NH3+ 175:sc= -2.19 (180deg=-2.39!) USER MOD Set 1.2: A 361 HIS : no HD1:sc= -0.12 X(o=-2.3,f=-2.8) USER MOD Set 2.1: A 346 CYS SG : rot 11:sc= -5.71! USER MOD Set 2.2: A 349 CYS SG : rot 180:sc= -1.73 USER MOD Set 2.3: A 353 MET CE :methyl -149:sc= -0.29 (180deg=-1.32!) USER MOD Set 2.4: A 367 HIS : no HE2:sc= -12.5! C(o=-22!,f=-36!) USER MOD Set 2.5: A 370 CYS SG : rot -44:sc= -1.33 USER MOD Set 3.1: A 334 HIS : no HD1:sc= -4.37 K(o=-45,f=-47) USER MOD Set 3.2: A 359 CYS SG : rot 176:sc= -9.59! USER MOD Set 3.3: A 362 CYS SG : rot 98:sc= -12.2! USER MOD Set 3.4: A 377 CYS SG : rot -39:sc= -19.2! USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0897) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 ASN : amide:sc= -2.01 X(o=-2,f=-1.5) USER MOD Single : A 350 GLN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0.0838 USER MOD Single : A 358 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00736) USER MOD Single : A 365 LYS NZ :NH3+ -113:sc= -2.03 (180deg=-4.09!) USER MOD Single : A 366 CYS SG : rot 95:sc= -1.35! USER MOD Single : A 368 ASN : amide:sc= -2.42 K(o=-2.4,f=-11!) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 77.768 -1.638 -11.116 1.00 0.00 N ATOM 52 CA HIS A 334 78.207 -2.404 -9.956 1.00 0.00 C ATOM 53 C HIS A 334 77.011 -2.889 -9.141 1.00 0.00 C ATOM 54 O HIS A 334 75.985 -2.213 -9.066 1.00 0.00 O ATOM 55 CB HIS A 334 79.133 -1.556 -9.082 1.00 0.00 C ATOM 56 CG HIS A 334 80.278 -0.955 -9.839 1.00 0.00 C ATOM 57 ND1 HIS A 334 81.574 -1.071 -9.396 1.00 0.00 N ATOM 58 CD2 HIS A 334 80.267 -0.255 -10.999 1.00 0.00 C ATOM 59 CE1 HIS A 334 82.318 -0.445 -10.291 1.00 0.00 C ATOM 60 NE2 HIS A 334 81.570 0.066 -11.280 1.00 0.00 N ATOM 0 HA HIS A 334 78.756 -3.276 -10.310 1.00 0.00 H new ATOM 0 HB2 HIS A 334 78.553 -0.757 -8.619 1.00 0.00 H new ATOM 0 HB3 HIS A 334 79.525 -2.174 -8.274 1.00 0.00 H new ATOM 0 HD2 HIS A 334 79.399 0.001 -11.589 1.00 0.00 H new ATOM 0 HE1 HIS A 334 83.393 -0.356 -10.233 1.00 0.00 H new ATOM 0 HE2 HIS A 334 81.906 0.592 -12.086 1.00 0.00 H new ATOM 68 N ARG A 335 77.148 -4.064 -8.534 1.00 0.00 N ATOM 69 CA ARG A 335 76.077 -4.636 -7.728 1.00 0.00 C ATOM 70 C ARG A 335 76.456 -4.643 -6.252 1.00 0.00 C ATOM 71 O ARG A 335 77.408 -5.311 -5.847 1.00 0.00 O ATOM 72 CB ARG A 335 75.764 -6.060 -8.192 1.00 0.00 C ATOM 73 CG ARG A 335 75.694 -6.207 -9.703 1.00 0.00 C ATOM 74 CD ARG A 335 77.017 -6.684 -10.278 1.00 0.00 C ATOM 75 NE ARG A 335 76.828 -7.589 -11.409 1.00 0.00 N ATOM 76 CZ ARG A 335 76.353 -7.207 -12.593 1.00 0.00 C ATOM 77 NH1 ARG A 335 76.018 -5.941 -12.804 1.00 0.00 N ATOM 78 NH2 ARG A 335 76.213 -8.095 -13.568 1.00 0.00 N ATOM 0 H ARG A 335 77.990 -4.638 -8.585 1.00 0.00 H new ATOM 0 HA ARG A 335 75.189 -4.017 -7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 335 76.527 -6.735 -7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 335 74.813 -6.373 -7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 335 74.906 -6.914 -9.965 1.00 0.00 H new ATOM 0 HG3 ARG A 335 75.425 -5.250 -10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 335 77.605 -5.823 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 335 77.589 -7.190 -9.500 1.00 0.00 H new ATOM 0 HE ARG A 335 77.074 -8.571 -11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 335 76.124 -5.254 -12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 335 75.655 -5.654 -13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 335 76.469 -9.070 -13.411 1.00 0.00 H new ATOM 0 HH22 ARG A 335 75.849 -7.803 -14.475 1.00 0.00 H new ATOM 92 N PHE A 336 75.708 -3.891 -5.456 1.00 0.00 N ATOM 93 CA PHE A 336 75.948 -3.791 -4.040 1.00 0.00 C ATOM 94 C PHE A 336 75.042 -4.748 -3.264 1.00 0.00 C ATOM 95 O PHE A 336 73.941 -5.070 -3.711 1.00 0.00 O ATOM 96 CB PHE A 336 75.670 -2.354 -3.620 1.00 0.00 C ATOM 97 CG PHE A 336 76.900 -1.541 -3.339 1.00 0.00 C ATOM 98 CD1 PHE A 336 77.829 -1.965 -2.404 1.00 0.00 C ATOM 99 CD2 PHE A 336 77.124 -0.349 -4.009 1.00 0.00 C ATOM 100 CE1 PHE A 336 78.959 -1.216 -2.142 1.00 0.00 C ATOM 101 CE2 PHE A 336 78.252 0.406 -3.751 1.00 0.00 C ATOM 102 CZ PHE A 336 79.171 -0.028 -2.816 1.00 0.00 C ATOM 0 H PHE A 336 74.918 -3.335 -5.784 1.00 0.00 H new ATOM 0 HA PHE A 336 76.980 -4.063 -3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 336 75.097 -1.863 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 336 75.044 -2.364 -2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 336 77.668 -2.892 -1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 336 76.408 -0.006 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 336 79.677 -1.558 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 336 78.415 1.334 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 336 80.054 0.560 -2.612 1.00 0.00 H new ATOM 112 N SER A 337 75.503 -5.191 -2.099 1.00 0.00 N ATOM 113 CA SER A 337 74.717 -6.102 -1.266 1.00 0.00 C ATOM 114 C SER A 337 74.575 -5.557 0.155 1.00 0.00 C ATOM 115 O SER A 337 75.564 -5.191 0.784 1.00 0.00 O ATOM 116 CB SER A 337 75.370 -7.485 -1.230 1.00 0.00 C ATOM 117 OG SER A 337 74.522 -8.434 -0.606 1.00 0.00 O ATOM 0 H SER A 337 76.411 -4.938 -1.710 1.00 0.00 H new ATOM 0 HA SER A 337 73.723 -6.188 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 337 75.598 -7.809 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 337 76.317 -7.430 -0.692 1.00 0.00 H new ATOM 0 HG SER A 337 74.962 -9.310 -0.597 1.00 0.00 H new ATOM 123 N THR A 338 73.342 -5.505 0.658 1.00 0.00 N ATOM 124 CA THR A 338 73.092 -4.995 2.005 1.00 0.00 C ATOM 125 C THR A 338 73.353 -6.060 3.065 1.00 0.00 C ATOM 126 O THR A 338 72.972 -7.220 2.911 1.00 0.00 O ATOM 127 CB THR A 338 71.658 -4.479 2.141 1.00 0.00 C ATOM 128 OG1 THR A 338 71.401 -3.457 1.194 1.00 0.00 O ATOM 129 CG2 THR A 338 71.350 -3.920 3.519 1.00 0.00 C ATOM 0 H THR A 338 72.506 -5.807 0.157 1.00 0.00 H new ATOM 0 HA THR A 338 73.785 -4.169 2.165 1.00 0.00 H new ATOM 0 HB THR A 338 71.021 -5.346 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 338 70.479 -3.141 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 338 70.318 -3.571 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 338 71.491 -4.700 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 338 72.020 -3.087 3.732 1.00 0.00 H new ATOM 137 N LYS A 339 74.002 -5.641 4.143 1.00 0.00 N ATOM 138 CA LYS A 339 74.324 -6.527 5.250 1.00 0.00 C ATOM 139 C LYS A 339 74.371 -5.742 6.556 1.00 0.00 C ATOM 140 O LYS A 339 74.681 -4.546 6.563 1.00 0.00 O ATOM 141 CB LYS A 339 75.665 -7.222 5.006 1.00 0.00 C ATOM 142 CG LYS A 339 75.727 -8.637 5.556 1.00 0.00 C ATOM 143 CD LYS A 339 77.154 -9.047 5.882 1.00 0.00 C ATOM 144 CE LYS A 339 77.395 -10.516 5.578 1.00 0.00 C ATOM 145 NZ LYS A 339 76.430 -11.398 6.291 1.00 0.00 N ATOM 0 H LYS A 339 74.319 -4.680 4.273 1.00 0.00 H new ATOM 0 HA LYS A 339 73.546 -7.287 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 339 75.861 -7.249 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 339 76.459 -6.630 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 339 75.113 -8.706 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 339 75.306 -9.330 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 339 77.850 -8.436 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 339 77.357 -8.854 6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 339 77.313 -10.682 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 339 78.412 -10.784 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 76.738 -12.388 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 76.391 -11.129 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 75.486 -11.294 5.867 1.00 0.00 H new ATOM 159 N SER A 340 74.063 -6.418 7.658 1.00 0.00 N ATOM 160 CA SER A 340 74.070 -5.785 8.971 1.00 0.00 C ATOM 161 C SER A 340 74.762 -6.672 10.001 1.00 0.00 C ATOM 162 O SER A 340 74.473 -6.594 11.195 1.00 0.00 O ATOM 163 CB SER A 340 72.640 -5.481 9.422 1.00 0.00 C ATOM 164 OG SER A 340 71.802 -6.611 9.256 1.00 0.00 O ATOM 0 H SER A 340 73.805 -7.405 7.667 1.00 0.00 H new ATOM 0 HA SER A 340 74.626 -4.851 8.892 1.00 0.00 H new ATOM 0 HB2 SER A 340 72.642 -5.177 10.469 1.00 0.00 H new ATOM 0 HB3 SER A 340 72.244 -4.643 8.847 1.00 0.00 H new ATOM 0 HG SER A 340 70.894 -6.392 9.553 1.00 0.00 H new ATOM 224 N GLN A 344 79.367 -2.551 11.099 1.00 0.00 N ATOM 225 CA GLN A 344 79.823 -1.348 11.789 1.00 0.00 C ATOM 226 C GLN A 344 79.106 -0.109 11.257 1.00 0.00 C ATOM 227 O GLN A 344 78.076 -0.214 10.592 1.00 0.00 O ATOM 228 CB GLN A 344 81.340 -1.185 11.639 1.00 0.00 C ATOM 229 CG GLN A 344 82.027 -0.697 12.904 1.00 0.00 C ATOM 230 CD GLN A 344 83.296 -1.467 13.214 1.00 0.00 C ATOM 231 OE1 GLN A 344 84.284 -1.378 12.485 1.00 0.00 O ATOM 232 NE2 GLN A 344 83.274 -2.231 14.300 1.00 0.00 N ATOM 0 HA GLN A 344 79.584 -1.456 12.847 1.00 0.00 H new ATOM 0 HB2 GLN A 344 81.773 -2.142 11.346 1.00 0.00 H new ATOM 0 HB3 GLN A 344 81.544 -0.483 10.831 1.00 0.00 H new ATOM 0 HG2 GLN A 344 82.266 0.361 12.798 1.00 0.00 H new ATOM 0 HG3 GLN A 344 81.338 -0.786 13.744 1.00 0.00 H new ATOM 0 HE21 GLN A 344 82.433 -2.275 14.876 1.00 0.00 H new ATOM 0 HE22 GLN A 344 84.098 -2.774 14.558 1.00 0.00 H new ATOM 241 N VAL A 345 79.655 1.065 11.559 1.00 0.00 N ATOM 242 CA VAL A 345 79.067 2.323 11.116 1.00 0.00 C ATOM 243 C VAL A 345 79.371 2.588 9.644 1.00 0.00 C ATOM 244 O VAL A 345 80.466 2.296 9.163 1.00 0.00 O ATOM 245 CB VAL A 345 79.580 3.508 11.959 1.00 0.00 C ATOM 246 CG1 VAL A 345 78.827 4.784 11.611 1.00 0.00 C ATOM 247 CG2 VAL A 345 79.459 3.197 13.444 1.00 0.00 C ATOM 0 H VAL A 345 80.507 1.170 12.109 1.00 0.00 H new ATOM 0 HA VAL A 345 77.989 2.232 11.247 1.00 0.00 H new ATOM 0 HB VAL A 345 80.633 3.664 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 345 79.205 5.607 12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 345 78.971 5.015 10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 345 77.764 4.645 11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 345 79.825 4.044 14.024 1.00 0.00 H new ATOM 0 HG22 VAL A 345 78.414 3.012 13.693 1.00 0.00 H new ATOM 0 HG23 VAL A 345 80.051 2.312 13.680 1.00 0.00 H new ATOM 257 N CYS A 346 78.387 3.144 8.937 1.00 0.00 N ATOM 258 CA CYS A 346 78.522 3.460 7.514 1.00 0.00 C ATOM 259 C CYS A 346 79.915 4.005 7.189 1.00 0.00 C ATOM 260 O CYS A 346 80.492 4.762 7.969 1.00 0.00 O ATOM 261 CB CYS A 346 77.450 4.479 7.110 1.00 0.00 C ATOM 262 SG CYS A 346 77.527 5.005 5.366 1.00 0.00 S ATOM 0 H CYS A 346 77.478 3.387 9.331 1.00 0.00 H new ATOM 0 HA CYS A 346 78.386 2.539 6.946 1.00 0.00 H new ATOM 0 HB2 CYS A 346 76.467 4.050 7.304 1.00 0.00 H new ATOM 0 HB3 CYS A 346 77.545 5.359 7.746 1.00 0.00 H new ATOM 0 HG CYS A 346 78.350 4.236 4.717 1.00 0.00 H new ATOM 267 N ASN A 347 80.449 3.611 6.033 1.00 0.00 N ATOM 268 CA ASN A 347 81.774 4.058 5.609 1.00 0.00 C ATOM 269 C ASN A 347 81.686 5.302 4.728 1.00 0.00 C ATOM 270 O ASN A 347 82.546 5.536 3.878 1.00 0.00 O ATOM 271 CB ASN A 347 82.497 2.946 4.848 1.00 0.00 C ATOM 272 CG ASN A 347 83.507 2.215 5.711 1.00 0.00 C ATOM 273 OD1 ASN A 347 84.613 1.906 5.265 1.00 0.00 O ATOM 274 ND2 ASN A 347 83.132 1.935 6.953 1.00 0.00 N ATOM 0 H ASN A 347 79.985 2.985 5.375 1.00 0.00 H new ATOM 0 HA ASN A 347 82.337 4.308 6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 347 81.764 2.234 4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 347 83.004 3.373 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 347 83.770 1.445 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 347 82.206 2.210 7.280 1.00 0.00 H new ATOM 281 N VAL A 348 80.645 6.091 4.934 1.00 0.00 N ATOM 282 CA VAL A 348 80.440 7.309 4.160 1.00 0.00 C ATOM 283 C VAL A 348 80.065 8.482 5.062 1.00 0.00 C ATOM 284 O VAL A 348 80.853 9.410 5.247 1.00 0.00 O ATOM 285 CB VAL A 348 79.342 7.118 3.095 1.00 0.00 C ATOM 286 CG1 VAL A 348 79.297 8.310 2.152 1.00 0.00 C ATOM 287 CG2 VAL A 348 79.568 5.827 2.322 1.00 0.00 C ATOM 0 H VAL A 348 79.925 5.911 5.633 1.00 0.00 H new ATOM 0 HA VAL A 348 81.384 7.530 3.662 1.00 0.00 H new ATOM 0 HB VAL A 348 78.379 7.049 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 348 78.516 8.156 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 348 79.084 9.215 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 348 80.260 8.414 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 348 78.784 5.708 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 348 80.538 5.864 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 348 79.544 4.982 3.010 1.00 0.00 H new ATOM 297 N CYS A 349 78.858 8.438 5.619 1.00 0.00 N ATOM 298 CA CYS A 349 78.383 9.500 6.499 1.00 0.00 C ATOM 299 C CYS A 349 78.731 9.206 7.955 1.00 0.00 C ATOM 300 O CYS A 349 78.951 10.122 8.748 1.00 0.00 O ATOM 301 CB CYS A 349 76.871 9.677 6.350 1.00 0.00 C ATOM 302 SG CYS A 349 75.905 8.184 6.748 1.00 0.00 S ATOM 0 H CYS A 349 78.192 7.679 5.476 1.00 0.00 H new ATOM 0 HA CYS A 349 78.882 10.424 6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 349 76.546 10.491 6.998 1.00 0.00 H new ATOM 0 HB3 CYS A 349 76.650 9.977 5.326 1.00 0.00 H new ATOM 0 HG CYS A 349 74.638 8.433 6.594 1.00 0.00 H new ATOM 307 N GLN A 350 78.779 7.923 8.302 1.00 0.00 N ATOM 308 CA GLN A 350 79.101 7.509 9.663 1.00 0.00 C ATOM 309 C GLN A 350 78.068 8.042 10.654 1.00 0.00 C ATOM 310 O GLN A 350 78.140 9.195 11.079 1.00 0.00 O ATOM 311 CB GLN A 350 80.496 8.002 10.051 1.00 0.00 C ATOM 312 CG GLN A 350 81.616 7.079 9.600 1.00 0.00 C ATOM 313 CD GLN A 350 81.822 5.909 10.541 1.00 0.00 C ATOM 314 OE1 GLN A 350 81.708 6.049 11.759 1.00 0.00 O ATOM 315 NE2 GLN A 350 82.128 4.745 9.980 1.00 0.00 N ATOM 0 H GLN A 350 78.599 7.152 7.659 1.00 0.00 H new ATOM 0 HA GLN A 350 79.084 6.420 9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 350 80.656 8.990 9.620 1.00 0.00 H new ATOM 0 HB3 GLN A 350 80.544 8.115 11.134 1.00 0.00 H new ATOM 0 HG2 GLN A 350 81.392 6.703 8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 350 82.543 7.648 9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 350 82.212 4.674 8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 350 82.279 3.922 10.563 1.00 0.00 H new ATOM 324 N LYS A 351 77.109 7.195 11.017 1.00 0.00 N ATOM 325 CA LYS A 351 76.064 7.584 11.959 1.00 0.00 C ATOM 326 C LYS A 351 75.535 6.372 12.722 1.00 0.00 C ATOM 327 O LYS A 351 75.917 5.235 12.445 1.00 0.00 O ATOM 328 CB LYS A 351 74.916 8.275 11.220 1.00 0.00 C ATOM 329 CG LYS A 351 75.183 9.741 10.919 1.00 0.00 C ATOM 330 CD LYS A 351 73.893 10.544 10.876 1.00 0.00 C ATOM 331 CE LYS A 351 73.467 10.987 12.267 1.00 0.00 C ATOM 332 NZ LYS A 351 72.409 12.034 12.217 1.00 0.00 N ATOM 0 H LYS A 351 77.034 6.237 10.674 1.00 0.00 H new ATOM 0 HA LYS A 351 76.499 8.279 12.677 1.00 0.00 H new ATOM 0 HB2 LYS A 351 74.728 7.749 10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 351 74.009 8.195 11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 351 75.845 10.155 11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 351 75.700 9.829 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 351 74.028 11.419 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 351 73.103 9.942 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 351 73.100 10.126 12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 351 74.333 11.371 12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 72.146 12.309 13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 72.768 12.866 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 71.573 11.659 11.725 1.00 0.00 H new ATOM 346 N SER A 352 74.654 6.626 13.686 1.00 0.00 N ATOM 347 CA SER A 352 74.070 5.559 14.492 1.00 0.00 C ATOM 348 C SER A 352 73.215 4.631 13.634 1.00 0.00 C ATOM 349 O SER A 352 72.074 4.952 13.302 1.00 0.00 O ATOM 350 CB SER A 352 73.224 6.150 15.622 1.00 0.00 C ATOM 351 OG SER A 352 72.623 7.370 15.224 1.00 0.00 O ATOM 0 H SER A 352 74.329 7.562 13.928 1.00 0.00 H new ATOM 0 HA SER A 352 74.885 4.977 14.922 1.00 0.00 H new ATOM 0 HB2 SER A 352 72.451 5.438 15.913 1.00 0.00 H new ATOM 0 HB3 SER A 352 73.849 6.318 16.499 1.00 0.00 H new ATOM 0 HG SER A 352 72.087 7.727 15.963 1.00 0.00 H new ATOM 357 N MET A 353 73.779 3.482 13.276 1.00 0.00 N ATOM 358 CA MET A 353 73.076 2.501 12.451 1.00 0.00 C ATOM 359 C MET A 353 74.005 1.349 12.086 1.00 0.00 C ATOM 360 O MET A 353 75.179 1.350 12.454 1.00 0.00 O ATOM 361 CB MET A 353 72.542 3.157 11.171 1.00 0.00 C ATOM 362 CG MET A 353 73.465 4.220 10.592 1.00 0.00 C ATOM 363 SD MET A 353 72.732 5.868 10.609 1.00 0.00 S ATOM 364 CE MET A 353 71.203 5.567 9.726 1.00 0.00 C ATOM 0 H MET A 353 74.723 3.205 13.544 1.00 0.00 H new ATOM 0 HA MET A 353 72.236 2.113 13.027 1.00 0.00 H new ATOM 0 HB2 MET A 353 72.377 2.384 10.420 1.00 0.00 H new ATOM 0 HB3 MET A 353 71.572 3.608 11.383 1.00 0.00 H new ATOM 0 HG2 MET A 353 74.395 4.235 11.160 1.00 0.00 H new ATOM 0 HG3 MET A 353 73.722 3.952 9.567 1.00 0.00 H new ATOM 0 HE1 MET A 353 70.914 6.466 9.181 1.00 0.00 H new ATOM 0 HE2 MET A 353 71.344 4.746 9.023 1.00 0.00 H new ATOM 0 HE3 MET A 353 70.418 5.305 10.436 1.00 0.00 H new ATOM 374 N ILE A 354 73.499 0.407 11.296 1.00 0.00 N ATOM 375 CA ILE A 354 74.289 -0.673 10.817 1.00 0.00 C ATOM 376 C ILE A 354 73.875 -0.948 9.407 1.00 0.00 C ATOM 377 O ILE A 354 72.947 -1.700 9.108 1.00 0.00 O ATOM 378 CB ILE A 354 74.140 -1.938 11.659 1.00 0.00 C ATOM 379 CG1 ILE A 354 75.072 -3.037 11.146 1.00 0.00 C ATOM 380 CG2 ILE A 354 72.694 -2.417 11.668 1.00 0.00 C ATOM 381 CD1 ILE A 354 75.626 -3.920 12.242 1.00 0.00 C ATOM 0 H ILE A 354 72.529 0.389 10.982 1.00 0.00 H new ATOM 0 HA ILE A 354 75.339 -0.388 10.879 1.00 0.00 H new ATOM 0 HB ILE A 354 74.422 -1.700 12.685 1.00 0.00 H new ATOM 0 HG12 ILE A 354 74.531 -3.656 10.430 1.00 0.00 H new ATOM 0 HG13 ILE A 354 75.901 -2.577 10.607 1.00 0.00 H new ATOM 0 HG21 ILE A 354 72.613 -3.319 12.274 1.00 0.00 H new ATOM 0 HG22 ILE A 354 72.056 -1.639 12.088 1.00 0.00 H new ATOM 0 HG23 ILE A 354 72.377 -2.635 10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 354 76.278 -4.676 11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 354 76.195 -3.313 12.946 1.00 0.00 H new ATOM 0 HD13 ILE A 354 74.804 -4.408 12.766 1.00 0.00 H new ATOM 393 N PHE A 355 74.604 -0.321 8.579 1.00 0.00 N ATOM 394 CA PHE A 355 74.432 -0.416 7.140 1.00 0.00 C ATOM 395 C PHE A 355 75.772 -0.581 6.443 1.00 0.00 C ATOM 396 O PHE A 355 76.663 0.257 6.587 1.00 0.00 O ATOM 397 CB PHE A 355 73.715 0.826 6.610 1.00 0.00 C ATOM 398 CG PHE A 355 72.219 0.694 6.595 1.00 0.00 C ATOM 399 CD1 PHE A 355 71.606 -0.315 5.868 1.00 0.00 C ATOM 400 CD2 PHE A 355 71.425 1.578 7.307 1.00 0.00 C ATOM 401 CE1 PHE A 355 70.230 -0.439 5.852 1.00 0.00 C ATOM 402 CE2 PHE A 355 70.048 1.459 7.296 1.00 0.00 C ATOM 403 CZ PHE A 355 69.450 0.449 6.567 1.00 0.00 C ATOM 0 H PHE A 355 75.365 0.297 8.861 1.00 0.00 H new ATOM 0 HA PHE A 355 73.824 -1.296 6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 355 73.990 1.684 7.224 1.00 0.00 H new ATOM 0 HB3 PHE A 355 74.064 1.033 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 355 72.211 -1.012 5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 355 71.887 2.370 7.878 1.00 0.00 H new ATOM 0 HE1 PHE A 355 69.765 -1.229 5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 355 69.440 2.154 7.856 1.00 0.00 H new ATOM 0 HZ PHE A 355 68.374 0.354 6.556 1.00 0.00 H new ATOM 413 N GLY A 356 75.908 -1.650 5.672 1.00 0.00 N ATOM 414 CA GLY A 356 77.143 -1.876 4.951 1.00 0.00 C ATOM 415 C GLY A 356 76.918 -2.604 3.657 1.00 0.00 C ATOM 416 O GLY A 356 76.526 -3.766 3.641 1.00 0.00 O ATOM 0 H GLY A 356 75.190 -2.361 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 356 77.624 -0.919 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 356 77.827 -2.451 5.576 1.00 0.00 H new ATOM 420 N VAL A 357 77.180 -1.914 2.574 1.00 0.00 N ATOM 421 CA VAL A 357 77.015 -2.485 1.250 1.00 0.00 C ATOM 422 C VAL A 357 78.363 -2.839 0.651 1.00 0.00 C ATOM 423 O VAL A 357 79.314 -2.065 0.734 1.00 0.00 O ATOM 424 CB VAL A 357 76.257 -1.534 0.297 1.00 0.00 C ATOM 425 CG1 VAL A 357 74.888 -1.198 0.865 1.00 0.00 C ATOM 426 CG2 VAL A 357 77.055 -0.263 0.026 1.00 0.00 C ATOM 0 H VAL A 357 77.511 -0.949 2.579 1.00 0.00 H new ATOM 0 HA VAL A 357 76.418 -3.390 1.366 1.00 0.00 H new ATOM 0 HB VAL A 357 76.125 -2.048 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 357 74.366 -0.527 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 357 74.310 -2.114 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 357 75.005 -0.711 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.492 0.383 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.235 0.261 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 357 78.009 -0.523 -0.433 1.00 0.00 H new ATOM 436 N LYS A 358 78.447 -4.018 0.057 1.00 0.00 N ATOM 437 CA LYS A 358 79.688 -4.463 -0.541 1.00 0.00 C ATOM 438 C LYS A 358 79.643 -4.312 -2.055 1.00 0.00 C ATOM 439 O LYS A 358 78.718 -4.782 -2.719 1.00 0.00 O ATOM 440 CB LYS A 358 79.993 -5.914 -0.140 1.00 0.00 C ATOM 441 CG LYS A 358 79.393 -6.961 -1.066 1.00 0.00 C ATOM 442 CD LYS A 358 78.797 -8.122 -0.286 1.00 0.00 C ATOM 443 CE LYS A 358 79.862 -9.132 0.110 1.00 0.00 C ATOM 444 NZ LYS A 358 80.450 -8.826 1.443 1.00 0.00 N ATOM 0 H LYS A 358 77.674 -4.678 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 358 80.494 -3.833 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 358 81.074 -6.050 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 358 79.622 -6.085 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 358 78.621 -6.502 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 358 80.162 -7.333 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 358 78.301 -7.745 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 358 78.034 -8.614 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 358 79.426 -10.131 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 358 80.651 -9.141 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 81.147 -9.557 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 80.918 -7.898 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 79.696 -8.810 2.159 1.00 0.00 H new ATOM 458 N CYS A 359 80.658 -3.652 -2.582 1.00 0.00 N ATOM 459 CA CYS A 359 80.781 -3.428 -4.012 1.00 0.00 C ATOM 460 C CYS A 359 81.910 -4.300 -4.538 1.00 0.00 C ATOM 461 O CYS A 359 83.070 -4.074 -4.224 1.00 0.00 O ATOM 462 CB CYS A 359 81.025 -1.932 -4.294 1.00 0.00 C ATOM 463 SG CYS A 359 82.525 -1.536 -5.257 1.00 0.00 S ATOM 0 H CYS A 359 81.420 -3.256 -2.032 1.00 0.00 H new ATOM 0 HA CYS A 359 79.860 -3.702 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 359 80.160 -1.537 -4.827 1.00 0.00 H new ATOM 0 HB3 CYS A 359 81.080 -1.407 -3.341 1.00 0.00 H new ATOM 0 HG CYS A 359 82.564 -0.258 -5.494 1.00 0.00 H new ATOM 468 N LYS A 360 81.551 -5.330 -5.287 1.00 0.00 N ATOM 469 CA LYS A 360 82.507 -6.277 -5.813 1.00 0.00 C ATOM 470 C LYS A 360 83.640 -5.607 -6.615 1.00 0.00 C ATOM 471 O LYS A 360 84.745 -5.422 -6.105 1.00 0.00 O ATOM 472 CB LYS A 360 81.777 -7.304 -6.686 1.00 0.00 C ATOM 473 CG LYS A 360 80.253 -7.313 -6.575 1.00 0.00 C ATOM 474 CD LYS A 360 79.595 -6.531 -7.705 1.00 0.00 C ATOM 475 CE LYS A 360 80.126 -5.107 -7.812 1.00 0.00 C ATOM 476 NZ LYS A 360 80.314 -4.695 -9.231 1.00 0.00 N ATOM 0 H LYS A 360 80.584 -5.529 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 360 82.979 -6.769 -4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 360 82.045 -7.123 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 360 82.146 -8.297 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 360 79.894 -8.342 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 360 79.956 -6.885 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 360 79.763 -7.050 -8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 360 78.517 -6.503 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 360 79.433 -4.422 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 360 81.076 -5.032 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 80.595 -3.694 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 81.056 -5.279 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 79.422 -4.823 -9.751 1.00 0.00 H new ATOM 490 N HIS A 361 83.357 -5.288 -7.880 1.00 0.00 N ATOM 491 CA HIS A 361 84.324 -4.681 -8.805 1.00 0.00 C ATOM 492 C HIS A 361 85.374 -3.795 -8.129 1.00 0.00 C ATOM 493 O HIS A 361 86.528 -3.770 -8.558 1.00 0.00 O ATOM 494 CB HIS A 361 83.580 -3.865 -9.863 1.00 0.00 C ATOM 495 CG HIS A 361 83.166 -4.669 -11.057 1.00 0.00 C ATOM 496 ND1 HIS A 361 83.082 -6.045 -11.045 1.00 0.00 N ATOM 497 CD2 HIS A 361 82.811 -4.283 -12.305 1.00 0.00 C ATOM 498 CE1 HIS A 361 82.694 -6.471 -12.234 1.00 0.00 C ATOM 499 NE2 HIS A 361 82.523 -5.422 -13.016 1.00 0.00 N ATOM 0 H HIS A 361 82.440 -5.445 -8.298 1.00 0.00 H new ATOM 0 HA HIS A 361 84.869 -5.511 -9.255 1.00 0.00 H new ATOM 0 HB2 HIS A 361 82.694 -3.420 -9.410 1.00 0.00 H new ATOM 0 HB3 HIS A 361 84.217 -3.044 -10.191 1.00 0.00 H new ATOM 0 HD2 HIS A 361 82.763 -3.269 -12.673 1.00 0.00 H new ATOM 0 HE1 HIS A 361 82.543 -7.502 -12.518 1.00 0.00 H new ATOM 0 HE2 HIS A 361 82.225 -5.452 -13.991 1.00 0.00 H new ATOM 508 N CYS A 362 84.986 -3.055 -7.099 1.00 0.00 N ATOM 509 CA CYS A 362 85.929 -2.164 -6.420 1.00 0.00 C ATOM 510 C CYS A 362 86.240 -2.649 -5.010 1.00 0.00 C ATOM 511 O CYS A 362 87.305 -2.364 -4.463 1.00 0.00 O ATOM 512 CB CYS A 362 85.382 -0.733 -6.366 1.00 0.00 C ATOM 513 SG CYS A 362 84.193 -0.316 -7.689 1.00 0.00 S ATOM 0 H CYS A 362 84.040 -3.050 -6.717 1.00 0.00 H new ATOM 0 HA CYS A 362 86.854 -2.172 -6.997 1.00 0.00 H new ATOM 0 HB2 CYS A 362 84.899 -0.580 -5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 362 86.219 -0.037 -6.417 1.00 0.00 H new ATOM 0 HG CYS A 362 82.980 -0.441 -7.238 1.00 0.00 H new ATOM 518 N ARG A 363 85.301 -3.376 -4.429 1.00 0.00 N ATOM 519 CA ARG A 363 85.453 -3.904 -3.080 1.00 0.00 C ATOM 520 C ARG A 363 85.454 -2.771 -2.055 1.00 0.00 C ATOM 521 O ARG A 363 86.496 -2.427 -1.496 1.00 0.00 O ATOM 522 CB ARG A 363 86.739 -4.728 -2.963 1.00 0.00 C ATOM 523 CG ARG A 363 86.500 -6.229 -2.960 1.00 0.00 C ATOM 524 CD ARG A 363 86.215 -6.745 -1.559 1.00 0.00 C ATOM 525 NE ARG A 363 85.829 -8.154 -1.563 1.00 0.00 N ATOM 526 CZ ARG A 363 84.636 -8.595 -1.957 1.00 0.00 C ATOM 527 NH1 ARG A 363 83.712 -7.741 -2.380 1.00 0.00 N ATOM 528 NH2 ARG A 363 84.366 -9.893 -1.928 1.00 0.00 N ATOM 0 H ARG A 363 84.416 -3.617 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 363 84.605 -4.557 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 363 87.400 -4.475 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 363 87.258 -4.449 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 363 85.661 -6.466 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 363 87.374 -6.738 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 363 87.100 -6.613 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 363 85.419 -6.152 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 363 86.514 -8.840 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 363 83.914 -6.742 -2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 363 82.800 -8.084 -2.681 1.00 0.00 H new ATOM 0 HH21 ARG A 363 85.072 -10.554 -1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 363 83.452 -10.231 -2.230 1.00 0.00 H new ATOM 542 N LEU A 364 84.281 -2.189 -1.821 1.00 0.00 N ATOM 543 CA LEU A 364 84.152 -1.083 -0.868 1.00 0.00 C ATOM 544 C LEU A 364 82.954 -1.284 0.061 1.00 0.00 C ATOM 545 O LEU A 364 82.131 -2.171 -0.157 1.00 0.00 O ATOM 546 CB LEU A 364 84.009 0.242 -1.623 1.00 0.00 C ATOM 547 CG LEU A 364 84.280 1.504 -0.798 1.00 0.00 C ATOM 548 CD1 LEU A 364 85.569 1.363 -0.003 1.00 0.00 C ATOM 549 CD2 LEU A 364 84.343 2.725 -1.703 1.00 0.00 C ATOM 0 H LEU A 364 83.408 -2.461 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 364 85.053 -1.059 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 364 84.691 0.231 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 364 82.998 0.303 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 364 83.459 1.635 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 364 85.741 2.271 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 364 85.488 0.512 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 364 86.403 1.205 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 364 84.536 3.614 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 364 85.145 2.598 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 364 83.393 2.840 -2.226 1.00 0.00 H new ATOM 561 N LYS A 365 82.858 -0.450 1.098 1.00 0.00 N ATOM 562 CA LYS A 365 81.756 -0.540 2.048 1.00 0.00 C ATOM 563 C LYS A 365 81.048 0.806 2.176 1.00 0.00 C ATOM 564 O LYS A 365 81.692 1.843 2.334 1.00 0.00 O ATOM 565 CB LYS A 365 82.267 -0.996 3.416 1.00 0.00 C ATOM 566 CG LYS A 365 81.166 -1.178 4.447 1.00 0.00 C ATOM 567 CD LYS A 365 81.648 -0.827 5.845 1.00 0.00 C ATOM 568 CE LYS A 365 80.486 -0.513 6.773 1.00 0.00 C ATOM 569 NZ LYS A 365 79.789 0.746 6.389 1.00 0.00 N ATOM 0 H LYS A 365 83.529 0.292 1.298 1.00 0.00 H new ATOM 0 HA LYS A 365 81.043 -1.276 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 365 82.803 -1.938 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 365 82.985 -0.265 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 365 80.314 -0.550 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 365 80.817 -2.211 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 365 82.225 -1.658 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 365 82.317 0.032 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 365 79.776 -1.340 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 365 80.852 -0.427 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 79.937 1.464 7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 80.171 1.093 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 78.771 0.561 6.286 1.00 0.00 H new ATOM 583 N CYS A 366 79.720 0.786 2.095 1.00 0.00 N ATOM 584 CA CYS A 366 78.924 2.010 2.191 1.00 0.00 C ATOM 585 C CYS A 366 77.519 1.709 2.707 1.00 0.00 C ATOM 586 O CYS A 366 77.065 0.569 2.669 1.00 0.00 O ATOM 587 CB CYS A 366 78.823 2.720 0.832 1.00 0.00 C ATOM 588 SG CYS A 366 80.240 2.481 -0.268 1.00 0.00 S ATOM 0 H CYS A 366 79.171 -0.063 1.963 1.00 0.00 H new ATOM 0 HA CYS A 366 79.433 2.668 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 366 77.925 2.370 0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 366 78.695 3.788 1.007 1.00 0.00 H new ATOM 0 HG CYS A 366 79.999 1.494 -1.078 1.00 0.00 H new ATOM 594 N HIS A 367 76.834 2.747 3.180 1.00 0.00 N ATOM 595 CA HIS A 367 75.467 2.616 3.694 1.00 0.00 C ATOM 596 C HIS A 367 74.606 1.795 2.740 1.00 0.00 C ATOM 597 O HIS A 367 75.065 1.397 1.673 1.00 0.00 O ATOM 598 CB HIS A 367 74.848 4.005 3.855 1.00 0.00 C ATOM 599 CG HIS A 367 74.423 4.335 5.248 1.00 0.00 C ATOM 600 ND1 HIS A 367 75.021 5.353 5.938 1.00 0.00 N ATOM 601 CD2 HIS A 367 73.456 3.781 6.016 1.00 0.00 C ATOM 602 CE1 HIS A 367 74.411 5.405 7.109 1.00 0.00 C ATOM 603 NE2 HIS A 367 73.453 4.469 7.203 1.00 0.00 N ATOM 0 H HIS A 367 77.204 3.697 3.219 1.00 0.00 H new ATOM 0 HA HIS A 367 75.508 2.108 4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 367 75.569 4.751 3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 367 73.983 4.082 3.197 1.00 0.00 H new ATOM 0 HD1 HIS A 367 75.782 5.950 5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 367 72.812 2.957 5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 367 74.652 6.110 7.891 1.00 0.00 H new ATOM 611 N ASN A 368 73.344 1.568 3.107 1.00 0.00 N ATOM 612 CA ASN A 368 72.428 0.817 2.248 1.00 0.00 C ATOM 613 C ASN A 368 72.614 1.246 0.794 1.00 0.00 C ATOM 614 O ASN A 368 72.507 0.439 -0.129 1.00 0.00 O ATOM 615 CB ASN A 368 70.979 1.041 2.685 1.00 0.00 C ATOM 616 CG ASN A 368 70.621 2.512 2.769 1.00 0.00 C ATOM 617 OD1 ASN A 368 71.491 3.380 2.698 1.00 0.00 O ATOM 618 ND2 ASN A 368 69.334 2.800 2.922 1.00 0.00 N ATOM 0 H ASN A 368 72.936 1.890 3.985 1.00 0.00 H new ATOM 0 HA ASN A 368 72.653 -0.246 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 368 70.310 0.547 1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 368 70.820 0.575 3.657 1.00 0.00 H new ATOM 0 HD21 ASN A 368 69.033 3.773 2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 368 68.646 2.049 2.976 1.00 0.00 H new ATOM 625 N LYS A 369 72.925 2.527 0.619 1.00 0.00 N ATOM 626 CA LYS A 369 73.173 3.105 -0.696 1.00 0.00 C ATOM 627 C LYS A 369 74.216 4.206 -0.569 1.00 0.00 C ATOM 628 O LYS A 369 75.361 4.052 -0.993 1.00 0.00 O ATOM 629 CB LYS A 369 71.891 3.686 -1.314 1.00 0.00 C ATOM 630 CG LYS A 369 70.617 3.323 -0.571 1.00 0.00 C ATOM 631 CD LYS A 369 70.252 1.867 -0.790 1.00 0.00 C ATOM 632 CE LYS A 369 68.897 1.721 -1.465 1.00 0.00 C ATOM 633 NZ LYS A 369 68.180 0.498 -1.012 1.00 0.00 N ATOM 0 H LYS A 369 73.012 3.193 1.386 1.00 0.00 H new ATOM 0 HA LYS A 369 73.532 2.312 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 369 71.979 4.772 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 369 71.808 3.338 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 369 70.748 3.512 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 369 69.801 3.961 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 369 71.017 1.388 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 369 70.239 1.347 0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 369 68.288 2.599 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 369 69.032 1.683 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 67.261 0.435 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 68.749 -0.342 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 68.028 0.545 0.016 1.00 0.00 H new ATOM 647 N CYS A 370 73.795 5.315 0.035 1.00 0.00 N ATOM 648 CA CYS A 370 74.663 6.479 0.255 1.00 0.00 C ATOM 649 C CYS A 370 75.588 6.738 -0.937 1.00 0.00 C ATOM 650 O CYS A 370 76.677 7.290 -0.779 1.00 0.00 O ATOM 651 CB CYS A 370 75.494 6.286 1.527 1.00 0.00 C ATOM 652 SG CYS A 370 74.860 7.195 2.979 1.00 0.00 S ATOM 0 H CYS A 370 72.845 5.436 0.387 1.00 0.00 H new ATOM 0 HA CYS A 370 74.017 7.350 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 370 75.531 5.223 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 370 76.518 6.605 1.331 1.00 0.00 H new ATOM 0 HG CYS A 370 74.535 8.403 2.626 1.00 0.00 H new ATOM 657 N THR A 371 75.149 6.338 -2.125 1.00 0.00 N ATOM 658 CA THR A 371 75.940 6.531 -3.337 1.00 0.00 C ATOM 659 C THR A 371 76.035 8.011 -3.694 1.00 0.00 C ATOM 660 O THR A 371 77.035 8.462 -4.252 1.00 0.00 O ATOM 661 CB THR A 371 75.349 5.736 -4.510 1.00 0.00 C ATOM 662 OG1 THR A 371 75.741 6.299 -5.749 1.00 0.00 O ATOM 663 CG2 THR A 371 73.836 5.666 -4.499 1.00 0.00 C ATOM 0 H THR A 371 74.251 5.879 -2.276 1.00 0.00 H new ATOM 0 HA THR A 371 76.946 6.158 -3.142 1.00 0.00 H new ATOM 0 HB THR A 371 75.741 4.726 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 371 75.355 5.776 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 371 73.492 5.089 -5.357 1.00 0.00 H new ATOM 0 HG22 THR A 371 73.501 5.185 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 371 73.425 6.674 -4.551 1.00 0.00 H new ATOM 671 N LYS A 372 74.989 8.762 -3.366 1.00 0.00 N ATOM 672 CA LYS A 372 74.957 10.192 -3.651 1.00 0.00 C ATOM 673 C LYS A 372 76.049 10.925 -2.877 1.00 0.00 C ATOM 674 O LYS A 372 76.554 11.955 -3.322 1.00 0.00 O ATOM 675 CB LYS A 372 73.587 10.773 -3.298 1.00 0.00 C ATOM 676 CG LYS A 372 73.211 10.601 -1.836 1.00 0.00 C ATOM 677 CD LYS A 372 71.739 10.898 -1.600 1.00 0.00 C ATOM 678 CE LYS A 372 71.474 12.393 -1.546 1.00 0.00 C ATOM 679 NZ LYS A 372 70.135 12.740 -2.098 1.00 0.00 N ATOM 0 H LYS A 372 74.153 8.405 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 372 75.138 10.329 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 372 73.578 11.835 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 372 72.828 10.295 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 372 73.433 9.582 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 372 73.820 11.265 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 372 71.144 10.451 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 372 71.419 10.437 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 372 71.541 12.737 -0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 372 72.246 12.919 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 69.993 13.769 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 70.079 12.435 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 69.397 12.259 -1.546 1.00 0.00 H new ATOM 693 N GLU A 373 76.409 10.386 -1.716 1.00 0.00 N ATOM 694 CA GLU A 373 77.442 10.989 -0.881 1.00 0.00 C ATOM 695 C GLU A 373 78.806 10.372 -1.174 1.00 0.00 C ATOM 696 O GLU A 373 79.745 11.071 -1.556 1.00 0.00 O ATOM 697 CB GLU A 373 77.098 10.813 0.599 1.00 0.00 C ATOM 698 CG GLU A 373 75.814 11.515 1.012 1.00 0.00 C ATOM 699 CD GLU A 373 74.622 10.578 1.043 1.00 0.00 C ATOM 700 OE1 GLU A 373 74.663 9.543 0.345 1.00 0.00 O ATOM 701 OE2 GLU A 373 73.648 10.881 1.763 1.00 0.00 O ATOM 0 H GLU A 373 76.001 9.533 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 373 77.486 12.053 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 373 77.008 9.749 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 373 77.921 11.194 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 373 75.948 11.959 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 373 75.612 12.332 0.319 1.00 0.00 H new ATOM 708 N ALA A 374 78.908 9.059 -0.993 1.00 0.00 N ATOM 709 CA ALA A 374 80.157 8.349 -1.239 1.00 0.00 C ATOM 710 C ALA A 374 80.601 8.506 -2.691 1.00 0.00 C ATOM 711 O ALA A 374 79.827 8.946 -3.541 1.00 0.00 O ATOM 712 CB ALA A 374 80.004 6.876 -0.885 1.00 0.00 C ATOM 0 H ALA A 374 78.141 8.466 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 374 80.927 8.785 -0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 374 80.944 6.357 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 374 79.741 6.780 0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 374 79.217 6.435 -1.497 1.00 0.00 H new ATOM 718 N PRO A 375 81.859 8.144 -2.996 1.00 0.00 N ATOM 719 CA PRO A 375 82.403 8.247 -4.353 1.00 0.00 C ATOM 720 C PRO A 375 81.821 7.194 -5.291 1.00 0.00 C ATOM 721 O PRO A 375 81.558 6.063 -4.883 1.00 0.00 O ATOM 722 CB PRO A 375 83.901 8.015 -4.152 1.00 0.00 C ATOM 723 CG PRO A 375 83.990 7.178 -2.924 1.00 0.00 C ATOM 724 CD PRO A 375 82.850 7.608 -2.042 1.00 0.00 C ATOM 0 HA PRO A 375 82.165 9.204 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 375 84.342 7.508 -5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 375 84.435 8.957 -4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 375 83.915 6.118 -3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 375 84.947 7.323 -2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 375 82.446 6.771 -1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 375 83.163 8.364 -1.321 1.00 0.00 H new ATOM 732 N ALA A 376 81.624 7.573 -6.549 1.00 0.00 N ATOM 733 CA ALA A 376 81.074 6.661 -7.544 1.00 0.00 C ATOM 734 C ALA A 376 82.043 5.522 -7.839 1.00 0.00 C ATOM 735 O ALA A 376 83.226 5.751 -8.092 1.00 0.00 O ATOM 736 CB ALA A 376 80.737 7.415 -8.821 1.00 0.00 C ATOM 0 H ALA A 376 81.837 8.505 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 376 80.159 6.228 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 376 80.327 6.722 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 376 80.001 8.189 -8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 376 81.641 7.875 -9.221 1.00 0.00 H new ATOM 742 N CYS A 377 81.535 4.295 -7.806 1.00 0.00 N ATOM 743 CA CYS A 377 82.357 3.120 -8.070 1.00 0.00 C ATOM 744 C CYS A 377 82.900 3.147 -9.496 1.00 0.00 C ATOM 745 O CYS A 377 82.136 3.192 -10.461 1.00 0.00 O ATOM 746 CB CYS A 377 81.546 1.843 -7.839 1.00 0.00 C ATOM 747 SG CYS A 377 82.305 0.686 -6.653 1.00 0.00 S ATOM 0 H CYS A 377 80.558 4.088 -7.599 1.00 0.00 H new ATOM 0 HA CYS A 377 83.201 3.133 -7.381 1.00 0.00 H new ATOM 0 HB2 CYS A 377 80.553 2.115 -7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 377 81.411 1.333 -8.793 1.00 0.00 H new ATOM 0 HG CYS A 377 83.592 0.661 -6.834 1.00 0.00 H new