USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 16 CYS SG : rot 180:sc= -0.939 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : B 30 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.981) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= 0.034 USER MOD Single : B 48 LYS NZ :NH3+ -179:sc= -0.0864 (180deg=-0.121) USER MOD Single : B 49 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N CYS B 16 13.090 -0.578 -0.424 1.00 0.00 N ATOM 139 CA CYS B 16 14.252 0.090 -0.998 1.00 0.00 C ATOM 140 C CYS B 16 14.217 1.603 -0.754 1.00 0.00 C ATOM 141 O CYS B 16 15.089 2.326 -1.236 1.00 0.00 O ATOM 142 CB CYS B 16 14.302 -0.208 -2.498 1.00 0.00 C ATOM 143 SG CYS B 16 14.511 -1.993 -2.737 1.00 0.00 S ATOM 0 HA CYS B 16 15.149 -0.291 -0.511 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.386 0.132 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.126 0.333 -2.962 1.00 0.00 H new ATOM 0 HG CYS B 16 14.553 -2.259 -4.009 1.00 0.00 H new ATOM 149 N ARG B 17 13.214 2.088 -0.014 1.00 0.00 N ATOM 150 CA ARG B 17 13.040 3.517 0.209 1.00 0.00 C ATOM 151 C ARG B 17 13.880 4.045 1.365 1.00 0.00 C ATOM 152 O ARG B 17 14.157 3.329 2.328 1.00 0.00 O ATOM 153 CB ARG B 17 11.560 3.840 0.431 1.00 0.00 C ATOM 154 CG ARG B 17 10.896 4.032 -0.927 1.00 0.00 C ATOM 155 CD ARG B 17 9.441 4.463 -0.763 1.00 0.00 C ATOM 156 NE ARG B 17 8.883 4.841 -2.063 1.00 0.00 N ATOM 157 CZ ARG B 17 8.329 6.025 -2.320 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.194 6.936 -1.357 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.903 6.298 -3.550 1.00 0.00 N ATOM 0 H ARG B 17 12.511 1.505 0.440 1.00 0.00 H new ATOM 0 HA ARG B 17 13.394 4.023 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.074 3.032 0.979 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.456 4.742 1.034 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.440 4.783 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.943 3.103 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.858 3.650 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.377 5.304 -0.072 1.00 0.00 H new ATOM 0 HE ARG B 17 8.921 4.156 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.516 6.730 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.768 7.839 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.001 5.603 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.478 7.203 -3.753 1.00 0.00 H new ATOM 173 N ILE B 18 14.272 5.317 1.248 1.00 0.00 N ATOM 174 CA ILE B 18 14.960 6.056 2.301 1.00 0.00 C ATOM 175 C ILE B 18 14.428 7.484 2.331 1.00 0.00 C ATOM 176 O ILE B 18 13.632 7.881 1.481 1.00 0.00 O ATOM 177 CB ILE B 18 16.481 6.047 2.084 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.885 6.982 0.934 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.993 4.633 1.844 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.406 7.149 0.891 1.00 0.00 C ATOM 0 H ILE B 18 14.116 5.868 0.404 1.00 0.00 H new ATOM 0 HA ILE B 18 14.768 5.574 3.259 1.00 0.00 H new ATOM 0 HB ILE B 18 16.947 6.421 2.996 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.530 6.577 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.410 7.954 1.063 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.072 4.657 1.694 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.761 4.010 2.708 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.513 4.218 0.958 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.676 7.814 0.071 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.752 7.575 1.833 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.875 6.177 0.739 1.00 0.00 H new ATOM 192 N TYR B 19 14.883 8.252 3.322 1.00 0.00 N ATOM 193 CA TYR B 19 14.452 9.625 3.543 1.00 0.00 C ATOM 194 C TYR B 19 15.508 10.680 3.220 1.00 0.00 C ATOM 195 O TYR B 19 16.705 10.423 3.340 1.00 0.00 O ATOM 196 CB TYR B 19 13.845 9.777 4.938 1.00 0.00 C ATOM 197 CG TYR B 19 13.941 11.167 5.530 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.835 12.032 5.495 1.00 0.00 C ATOM 199 CD2 TYR B 19 15.139 11.583 6.127 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.924 13.307 6.074 1.00 0.00 C ATOM 201 CE2 TYR B 19 15.234 12.860 6.696 1.00 0.00 C ATOM 202 CZ TYR B 19 14.128 13.730 6.665 1.00 0.00 C ATOM 203 OH TYR B 19 14.222 14.976 7.208 1.00 0.00 O ATOM 0 H TYR B 19 15.572 7.929 4.002 1.00 0.00 H new ATOM 0 HA TYR B 19 13.668 9.828 2.814 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.795 9.489 4.894 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.340 9.077 5.611 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.917 11.716 5.023 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.990 10.918 6.148 1.00 0.00 H new ATOM 0 HE1 TYR B 19 12.067 13.964 6.066 1.00 0.00 H new ATOM 0 HE2 TYR B 19 16.157 13.177 7.159 1.00 0.00 H new ATOM 0 HH TYR B 19 15.121 15.106 7.575 1.00 0.00 H new ATOM 213 N VAL B 20 15.052 11.867 2.812 1.00 0.00 N ATOM 214 CA VAL B 20 15.936 12.973 2.476 1.00 0.00 C ATOM 215 C VAL B 20 15.390 14.275 3.046 1.00 0.00 C ATOM 216 O VAL B 20 14.179 14.496 3.053 1.00 0.00 O ATOM 217 CB VAL B 20 16.124 13.066 0.957 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.149 14.148 0.619 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.603 11.733 0.383 1.00 0.00 C ATOM 0 H VAL B 20 14.061 12.083 2.707 1.00 0.00 H new ATOM 0 HA VAL B 20 16.914 12.792 2.923 1.00 0.00 H new ATOM 0 HB VAL B 20 15.159 13.318 0.516 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.275 14.205 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.800 15.110 0.995 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.104 13.902 1.083 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.729 11.826 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.556 11.463 0.837 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.866 10.959 0.597 1.00 0.00 H new ATOM 229 N GLY B 21 16.285 15.145 3.522 1.00 0.00 N ATOM 230 CA GLY B 21 15.897 16.406 4.124 1.00 0.00 C ATOM 231 C GLY B 21 17.001 17.451 3.973 1.00 0.00 C ATOM 232 O GLY B 21 18.057 17.170 3.406 1.00 0.00 O ATOM 0 H GLY B 21 17.293 14.988 3.497 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.982 16.769 3.656 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.677 16.255 5.181 1.00 0.00 H new ATOM 236 N ASN B 22 16.740 18.656 4.485 1.00 0.00 N ATOM 237 CA ASN B 22 17.621 19.807 4.332 1.00 0.00 C ATOM 238 C ASN B 22 17.890 20.096 2.853 1.00 0.00 C ATOM 239 O ASN B 22 19.010 20.439 2.476 1.00 0.00 O ATOM 240 CB ASN B 22 18.914 19.603 5.129 1.00 0.00 C ATOM 241 CG ASN B 22 19.708 20.899 5.191 1.00 0.00 C ATOM 242 OD1 ASN B 22 19.154 21.960 5.467 1.00 0.00 O ATOM 243 ND2 ASN B 22 21.011 20.818 4.938 1.00 0.00 N ATOM 0 H ASN B 22 15.898 18.858 5.024 1.00 0.00 H new ATOM 0 HA ASN B 22 17.124 20.687 4.741 1.00 0.00 H new ATOM 0 HB2 ASN B 22 18.677 19.265 6.138 1.00 0.00 H new ATOM 0 HB3 ASN B 22 19.516 18.822 4.664 1.00 0.00 H new ATOM 0 HD21 ASN B 22 21.590 21.657 4.969 1.00 0.00 H new ATOM 0 HD22 ASN B 22 21.432 19.917 4.713 1.00 0.00 H new ATOM 250 N LEU B 23 16.861 19.957 2.010 1.00 0.00 N ATOM 251 CA LEU B 23 16.987 20.215 0.584 1.00 0.00 C ATOM 252 C LEU B 23 17.405 21.672 0.357 1.00 0.00 C ATOM 253 O LEU B 23 16.916 22.572 1.042 1.00 0.00 O ATOM 254 CB LEU B 23 15.654 19.925 -0.111 1.00 0.00 C ATOM 255 CG LEU B 23 15.209 18.472 0.093 1.00 0.00 C ATOM 256 CD1 LEU B 23 13.827 18.285 -0.522 1.00 0.00 C ATOM 257 CD2 LEU B 23 16.186 17.508 -0.579 1.00 0.00 C ATOM 0 H LEU B 23 15.928 19.665 2.300 1.00 0.00 H new ATOM 0 HA LEU B 23 17.752 19.563 0.162 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.888 20.597 0.276 1.00 0.00 H new ATOM 0 HB3 LEU B 23 15.748 20.130 -1.177 1.00 0.00 H new ATOM 0 HG LEU B 23 15.184 18.259 1.162 1.00 0.00 H new ATOM 0 HD11 LEU B 23 13.503 17.254 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU B 23 13.119 18.957 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU B 23 13.870 18.510 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU B 23 15.851 16.483 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU B 23 16.226 17.717 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU B 23 17.179 17.636 -0.147 1.00 0.00 H new ATOM 366 N LYS B 30 15.093 16.479 -11.247 1.00 0.00 N ATOM 367 CA LYS B 30 16.011 15.743 -12.101 1.00 0.00 C ATOM 368 C LYS B 30 17.313 15.429 -11.358 1.00 0.00 C ATOM 369 O LYS B 30 18.052 14.534 -11.760 1.00 0.00 O ATOM 370 CB LYS B 30 16.284 16.571 -13.366 1.00 0.00 C ATOM 371 CG LYS B 30 17.061 15.778 -14.426 1.00 0.00 C ATOM 372 CD LYS B 30 16.209 14.631 -14.969 1.00 0.00 C ATOM 373 CE LYS B 30 17.023 13.794 -15.954 1.00 0.00 C ATOM 374 NZ LYS B 30 16.214 12.685 -16.492 1.00 0.00 N ATOM 0 HA LYS B 30 15.562 14.791 -12.383 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.337 16.907 -13.789 1.00 0.00 H new ATOM 0 HB3 LYS B 30 16.848 17.464 -13.098 1.00 0.00 H new ATOM 0 HG2 LYS B 30 17.353 16.439 -15.242 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.979 15.383 -13.992 1.00 0.00 H new ATOM 0 HD2 LYS B 30 15.862 14.005 -14.147 1.00 0.00 H new ATOM 0 HD3 LYS B 30 15.322 15.028 -15.463 1.00 0.00 H new ATOM 0 HE2 LYS B 30 17.373 14.424 -16.771 1.00 0.00 H new ATOM 0 HE3 LYS B 30 17.908 13.397 -15.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 16.840 11.907 -16.782 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 15.558 12.347 -15.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 15.672 13.018 -17.315 1.00 0.00 H new ATOM 388 N ASP B 31 17.597 16.155 -10.275 1.00 0.00 N ATOM 389 CA ASP B 31 18.845 15.976 -9.545 1.00 0.00 C ATOM 390 C ASP B 31 18.948 14.591 -8.910 1.00 0.00 C ATOM 391 O ASP B 31 20.050 14.073 -8.727 1.00 0.00 O ATOM 392 CB ASP B 31 18.999 17.068 -8.481 1.00 0.00 C ATOM 393 CG ASP B 31 19.192 18.456 -9.087 1.00 0.00 C ATOM 394 OD1 ASP B 31 19.332 19.407 -8.286 1.00 0.00 O ATOM 395 OD2 ASP B 31 19.199 18.561 -10.335 1.00 0.00 O ATOM 0 H ASP B 31 16.980 16.869 -9.888 1.00 0.00 H new ATOM 0 HA ASP B 31 19.659 16.060 -10.265 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.116 17.074 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.852 16.832 -7.844 1.00 0.00 H new ATOM 400 N ILE B 32 17.802 13.990 -8.577 1.00 0.00 N ATOM 401 CA ILE B 32 17.767 12.648 -8.009 1.00 0.00 C ATOM 402 C ILE B 32 17.960 11.615 -9.118 1.00 0.00 C ATOM 403 O ILE B 32 18.387 10.491 -8.857 1.00 0.00 O ATOM 404 CB ILE B 32 16.433 12.437 -7.279 1.00 0.00 C ATOM 405 CG1 ILE B 32 16.122 13.602 -6.327 1.00 0.00 C ATOM 406 CG2 ILE B 32 16.464 11.117 -6.508 1.00 0.00 C ATOM 407 CD1 ILE B 32 17.218 13.805 -5.278 1.00 0.00 C ATOM 0 H ILE B 32 16.884 14.418 -8.694 1.00 0.00 H new ATOM 0 HA ILE B 32 18.576 12.527 -7.288 1.00 0.00 H new ATOM 0 HB ILE B 32 15.641 12.400 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE B 32 16.002 14.518 -6.905 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.173 13.415 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE B 32 15.514 10.974 -5.993 1.00 0.00 H new ATOM 0 HG22 ILE B 32 16.627 10.293 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE B 32 17.273 11.141 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.951 14.640 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE B 32 17.321 12.900 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE B 32 18.163 14.020 -5.776 1.00 0.00 H new ATOM 419 N GLU B 33 17.645 11.995 -10.361 1.00 0.00 N ATOM 420 CA GLU B 33 17.805 11.103 -11.507 1.00 0.00 C ATOM 421 C GLU B 33 19.223 11.195 -12.074 1.00 0.00 C ATOM 422 O GLU B 33 19.611 10.373 -12.901 1.00 0.00 O ATOM 423 CB GLU B 33 16.784 11.453 -12.590 1.00 0.00 C ATOM 424 CG GLU B 33 15.356 11.306 -12.058 1.00 0.00 C ATOM 425 CD GLU B 33 14.323 11.412 -13.181 1.00 0.00 C ATOM 426 OE1 GLU B 33 13.122 11.259 -12.863 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.740 11.639 -14.341 1.00 0.00 O ATOM 0 H GLU B 33 17.277 12.917 -10.596 1.00 0.00 H new ATOM 0 HA GLU B 33 17.635 10.080 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.946 12.475 -12.932 1.00 0.00 H new ATOM 0 HB3 GLU B 33 16.924 10.802 -13.453 1.00 0.00 H new ATOM 0 HG2 GLU B 33 15.251 10.344 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU B 33 15.164 12.077 -11.312 1.00 0.00 H new ATOM 434 N ASP B 34 19.995 12.192 -11.632 1.00 0.00 N ATOM 435 CA ASP B 34 21.379 12.345 -12.052 1.00 0.00 C ATOM 436 C ASP B 34 22.378 11.849 -11.010 1.00 0.00 C ATOM 437 O ASP B 34 23.088 10.871 -11.243 1.00 0.00 O ATOM 438 CB ASP B 34 21.654 13.799 -12.447 1.00 0.00 C ATOM 439 CG ASP B 34 20.968 14.195 -13.756 1.00 0.00 C ATOM 440 OD1 ASP B 34 21.086 15.387 -14.119 1.00 0.00 O ATOM 441 OD2 ASP B 34 20.338 13.315 -14.382 1.00 0.00 O ATOM 0 H ASP B 34 19.676 12.907 -10.978 1.00 0.00 H new ATOM 0 HA ASP B 34 21.523 11.709 -12.926 1.00 0.00 H new ATOM 0 HB2 ASP B 34 21.313 14.459 -11.649 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.729 13.947 -12.546 1.00 0.00 H new ATOM 446 N VAL B 35 22.432 12.525 -9.859 1.00 0.00 N ATOM 447 CA VAL B 35 23.425 12.221 -8.837 1.00 0.00 C ATOM 448 C VAL B 35 23.088 10.926 -8.117 1.00 0.00 C ATOM 449 O VAL B 35 23.917 10.018 -8.044 1.00 0.00 O ATOM 450 CB VAL B 35 23.528 13.388 -7.847 1.00 0.00 C ATOM 451 CG1 VAL B 35 24.647 13.123 -6.838 1.00 0.00 C ATOM 452 CG2 VAL B 35 23.816 14.697 -8.585 1.00 0.00 C ATOM 0 H VAL B 35 21.798 13.286 -9.616 1.00 0.00 H new ATOM 0 HA VAL B 35 24.392 12.085 -9.320 1.00 0.00 H new ATOM 0 HB VAL B 35 22.576 13.476 -7.324 1.00 0.00 H new ATOM 0 HG11 VAL B 35 24.712 13.957 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL B 35 24.432 12.206 -6.289 1.00 0.00 H new ATOM 0 HG13 VAL B 35 25.595 13.017 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL B 35 23.885 15.513 -7.865 1.00 0.00 H new ATOM 0 HG22 VAL B 35 24.758 14.610 -9.127 1.00 0.00 H new ATOM 0 HG23 VAL B 35 23.010 14.902 -9.290 1.00 0.00 H new ATOM 462 N PHE B 36 21.869 10.822 -7.579 1.00 0.00 N ATOM 463 CA PHE B 36 21.473 9.629 -6.856 1.00 0.00 C ATOM 464 C PHE B 36 21.308 8.400 -7.747 1.00 0.00 C ATOM 465 O PHE B 36 21.369 7.271 -7.266 1.00 0.00 O ATOM 466 CB PHE B 36 20.241 9.914 -5.994 1.00 0.00 C ATOM 467 CG PHE B 36 20.558 10.713 -4.749 1.00 0.00 C ATOM 468 CD1 PHE B 36 20.402 12.104 -4.749 1.00 0.00 C ATOM 469 CD2 PHE B 36 21.013 10.062 -3.594 1.00 0.00 C ATOM 470 CE1 PHE B 36 20.694 12.844 -3.596 1.00 0.00 C ATOM 471 CE2 PHE B 36 21.304 10.802 -2.439 1.00 0.00 C ATOM 472 CZ PHE B 36 21.147 12.193 -2.440 1.00 0.00 C ATOM 0 H PHE B 36 21.152 11.546 -7.634 1.00 0.00 H new ATOM 0 HA PHE B 36 22.295 9.367 -6.190 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.507 10.457 -6.589 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.781 8.969 -5.704 1.00 0.00 H new ATOM 0 HD1 PHE B 36 20.056 12.608 -5.639 1.00 0.00 H new ATOM 0 HD2 PHE B 36 21.140 8.989 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE B 36 20.570 13.917 -3.598 1.00 0.00 H new ATOM 0 HE2 PHE B 36 21.649 10.298 -1.548 1.00 0.00 H new ATOM 0 HZ PHE B 36 21.374 12.764 -1.552 1.00 0.00 H new ATOM 482 N SER B 37 21.103 8.621 -9.049 1.00 0.00 N ATOM 483 CA SER B 37 21.024 7.529 -10.006 1.00 0.00 C ATOM 484 C SER B 37 22.416 6.958 -10.265 1.00 0.00 C ATOM 485 O SER B 37 22.558 5.760 -10.514 1.00 0.00 O ATOM 486 CB SER B 37 20.401 8.033 -11.304 1.00 0.00 C ATOM 487 OG SER B 37 20.309 6.971 -12.230 1.00 0.00 O ATOM 0 H SER B 37 20.990 9.548 -9.458 1.00 0.00 H new ATOM 0 HA SER B 37 20.398 6.735 -9.599 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.411 8.444 -11.108 1.00 0.00 H new ATOM 0 HB3 SER B 37 21.005 8.840 -11.720 1.00 0.00 H new ATOM 0 HG SER B 37 19.907 7.297 -13.062 1.00 0.00 H new ATOM 493 N LYS B 38 23.449 7.805 -10.202 1.00 0.00 N ATOM 494 CA LYS B 38 24.821 7.339 -10.322 1.00 0.00 C ATOM 495 C LYS B 38 25.199 6.515 -9.090 1.00 0.00 C ATOM 496 O LYS B 38 26.019 5.607 -9.184 1.00 0.00 O ATOM 497 CB LYS B 38 25.743 8.548 -10.490 1.00 0.00 C ATOM 498 CG LYS B 38 27.205 8.109 -10.619 1.00 0.00 C ATOM 499 CD LYS B 38 28.119 9.319 -10.838 1.00 0.00 C ATOM 500 CE LYS B 38 27.775 10.023 -12.149 1.00 0.00 C ATOM 501 NZ LYS B 38 28.671 11.171 -12.382 1.00 0.00 N ATOM 0 H LYS B 38 23.354 8.812 -10.069 1.00 0.00 H new ATOM 0 HA LYS B 38 24.926 6.696 -11.196 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.450 9.113 -11.375 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.634 9.215 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.510 7.575 -9.719 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.309 7.414 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.014 10.016 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS B 38 29.160 8.997 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS B 38 27.857 9.319 -12.977 1.00 0.00 H new ATOM 0 HE3 LYS B 38 26.740 10.364 -12.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 28.417 11.633 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 28.573 11.852 -11.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 29.655 10.839 -12.430 1.00 0.00 H new ATOM 515 N TYR B 39 24.591 6.832 -7.941 1.00 0.00 N ATOM 516 CA TYR B 39 24.816 6.094 -6.703 1.00 0.00 C ATOM 517 C TYR B 39 24.007 4.810 -6.522 1.00 0.00 C ATOM 518 O TYR B 39 24.398 3.964 -5.718 1.00 0.00 O ATOM 519 CB TYR B 39 24.685 7.013 -5.487 1.00 0.00 C ATOM 520 CG TYR B 39 25.952 7.769 -5.150 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.708 7.376 -4.036 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.367 8.854 -5.937 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.878 8.069 -3.699 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.539 9.551 -5.611 1.00 0.00 C ATOM 525 CZ TYR B 39 28.299 9.162 -4.490 1.00 0.00 C ATOM 526 OH TYR B 39 29.439 9.837 -4.170 1.00 0.00 O ATOM 0 H TYR B 39 23.932 7.605 -7.848 1.00 0.00 H new ATOM 0 HA TYR B 39 25.843 5.738 -6.789 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.884 7.729 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.389 6.417 -4.624 1.00 0.00 H new ATOM 0 HD1 TYR B 39 26.387 6.537 -3.436 1.00 0.00 H new ATOM 0 HD2 TYR B 39 25.783 9.153 -6.795 1.00 0.00 H new ATOM 0 HE1 TYR B 39 28.456 7.769 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.859 10.385 -6.218 1.00 0.00 H new ATOM 0 HH TYR B 39 29.584 10.559 -4.817 1.00 0.00 H new ATOM 536 N GLY B 40 22.891 4.638 -7.243 1.00 0.00 N ATOM 537 CA GLY B 40 22.060 3.461 -7.017 1.00 0.00 C ATOM 538 C GLY B 40 20.873 3.324 -7.967 1.00 0.00 C ATOM 539 O GLY B 40 19.921 2.611 -7.641 1.00 0.00 O ATOM 0 H GLY B 40 22.555 5.278 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY B 40 22.683 2.571 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY B 40 21.687 3.488 -5.993 1.00 0.00 H new ATOM 543 N ALA B 41 20.913 3.987 -9.129 1.00 0.00 N ATOM 544 CA ALA B 41 19.895 3.837 -10.163 1.00 0.00 C ATOM 545 C ALA B 41 18.479 3.935 -9.582 1.00 0.00 C ATOM 546 O ALA B 41 17.689 2.997 -9.690 1.00 0.00 O ATOM 547 CB ALA B 41 20.120 2.513 -10.902 1.00 0.00 C ATOM 0 H ALA B 41 21.655 4.642 -9.374 1.00 0.00 H new ATOM 0 HA ALA B 41 19.987 4.657 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA B 41 19.362 2.395 -11.676 1.00 0.00 H new ATOM 0 HB2 ALA B 41 21.109 2.515 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA B 41 20.049 1.686 -10.196 1.00 0.00 H new ATOM 553 N ILE B 42 18.165 5.078 -8.961 1.00 0.00 N ATOM 554 CA ILE B 42 16.868 5.331 -8.343 1.00 0.00 C ATOM 555 C ILE B 42 15.720 4.890 -9.250 1.00 0.00 C ATOM 556 O ILE B 42 15.710 5.202 -10.441 1.00 0.00 O ATOM 557 CB ILE B 42 16.745 6.831 -8.028 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.951 7.346 -7.236 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.456 7.107 -7.255 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.227 6.492 -6.000 1.00 0.00 C ATOM 0 H ILE B 42 18.815 5.859 -8.875 1.00 0.00 H new ATOM 0 HA ILE B 42 16.803 4.750 -7.423 1.00 0.00 H new ATOM 0 HB ILE B 42 16.717 7.364 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE B 42 18.832 7.351 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE B 42 17.772 8.377 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.382 8.173 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.599 6.798 -7.854 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.466 6.547 -6.320 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.090 6.891 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE B 42 17.356 6.508 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE B 42 18.432 5.466 -6.305 1.00 0.00 H new ATOM 572 N ARG B 43 14.755 4.164 -8.678 1.00 0.00 N ATOM 573 CA ARG B 43 13.578 3.714 -9.407 1.00 0.00 C ATOM 574 C ARG B 43 12.476 4.770 -9.391 1.00 0.00 C ATOM 575 O ARG B 43 11.777 4.936 -10.389 1.00 0.00 O ATOM 576 CB ARG B 43 13.048 2.422 -8.784 1.00 0.00 C ATOM 577 CG ARG B 43 13.996 1.251 -9.045 1.00 0.00 C ATOM 578 CD ARG B 43 13.379 -0.027 -8.472 1.00 0.00 C ATOM 579 NE ARG B 43 14.155 -1.212 -8.852 1.00 0.00 N ATOM 580 CZ ARG B 43 13.821 -2.457 -8.512 1.00 0.00 C ATOM 581 NH1 ARG B 43 12.735 -2.692 -7.777 1.00 0.00 N ATOM 582 NH2 ARG B 43 14.576 -3.477 -8.906 1.00 0.00 N ATOM 0 H ARG B 43 14.772 3.875 -7.700 1.00 0.00 H new ATOM 0 HA ARG B 43 13.871 3.538 -10.442 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.922 2.558 -7.710 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.064 2.195 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG B 43 14.169 1.138 -10.115 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.965 1.441 -8.583 1.00 0.00 H new ATOM 0 HD2 ARG B 43 13.331 0.046 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG B 43 12.355 -0.131 -8.830 1.00 0.00 H new ATOM 0 HE ARG B 43 14.999 -1.076 -9.408 1.00 0.00 H new ATOM 0 HH11 ARG B 43 12.150 -1.915 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG B 43 12.489 -3.649 -7.523 1.00 0.00 H new ATOM 0 HH21 ARG B 43 15.410 -3.307 -9.468 1.00 0.00 H new ATOM 0 HH22 ARG B 43 14.321 -4.430 -8.646 1.00 0.00 H new ATOM 596 N ASP B 44 12.324 5.476 -8.267 1.00 0.00 N ATOM 597 CA ASP B 44 11.262 6.459 -8.093 1.00 0.00 C ATOM 598 C ASP B 44 11.637 7.639 -7.203 1.00 0.00 C ATOM 599 O ASP B 44 12.451 7.503 -6.290 1.00 0.00 O ATOM 600 CB ASP B 44 9.979 5.784 -7.595 1.00 0.00 C ATOM 601 CG ASP B 44 9.185 5.119 -8.718 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.674 4.003 -8.471 1.00 0.00 O ATOM 603 OD2 ASP B 44 9.091 5.727 -9.808 1.00 0.00 O ATOM 0 H ASP B 44 12.935 5.379 -7.456 1.00 0.00 H new ATOM 0 HA ASP B 44 11.090 6.886 -9.081 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.235 5.036 -6.845 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.351 6.526 -7.103 1.00 0.00 H new ATOM 608 N ILE B 45 11.029 8.795 -7.483 1.00 0.00 N ATOM 609 CA ILE B 45 11.199 10.012 -6.709 1.00 0.00 C ATOM 610 C ILE B 45 9.904 10.274 -5.952 1.00 0.00 C ATOM 611 O ILE B 45 8.825 9.909 -6.423 1.00 0.00 O ATOM 612 CB ILE B 45 11.550 11.186 -7.643 1.00 0.00 C ATOM 613 CG1 ILE B 45 13.060 11.275 -7.895 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.122 12.522 -7.038 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.582 10.079 -8.694 1.00 0.00 C ATOM 0 H ILE B 45 10.393 8.906 -8.272 1.00 0.00 H new ATOM 0 HA ILE B 45 12.018 9.906 -5.998 1.00 0.00 H new ATOM 0 HB ILE B 45 11.019 10.996 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE B 45 13.283 12.196 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.584 11.329 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE B 45 11.383 13.331 -7.720 1.00 0.00 H new ATOM 0 HG22 ILE B 45 10.044 12.519 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE B 45 11.633 12.671 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.656 10.185 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.384 9.159 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE B 45 13.079 10.039 -9.660 1.00 0.00 H new ATOM 627 N ASP B 46 9.997 10.906 -4.781 1.00 0.00 N ATOM 628 CA ASP B 46 8.822 11.213 -3.993 1.00 0.00 C ATOM 629 C ASP B 46 9.041 12.510 -3.216 1.00 0.00 C ATOM 630 O ASP B 46 9.078 12.503 -1.984 1.00 0.00 O ATOM 631 CB ASP B 46 8.529 10.032 -3.070 1.00 0.00 C ATOM 632 CG ASP B 46 7.250 10.224 -2.263 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.502 11.177 -2.571 1.00 0.00 O ATOM 634 OD2 ASP B 46 7.031 9.409 -1.342 1.00 0.00 O ATOM 0 H ASP B 46 10.877 11.211 -4.365 1.00 0.00 H new ATOM 0 HA ASP B 46 7.957 11.368 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.446 9.122 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.367 9.892 -2.388 1.00 0.00 H new ATOM 639 N LEU B 47 9.189 13.626 -3.936 1.00 0.00 N ATOM 640 CA LEU B 47 9.305 14.932 -3.300 1.00 0.00 C ATOM 641 C LEU B 47 8.021 15.260 -2.547 1.00 0.00 C ATOM 642 O LEU B 47 6.920 15.016 -3.043 1.00 0.00 O ATOM 643 CB LEU B 47 9.585 16.015 -4.350 1.00 0.00 C ATOM 644 CG LEU B 47 10.856 15.742 -5.165 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.082 16.892 -6.144 1.00 0.00 C ATOM 646 CD2 LEU B 47 12.080 15.626 -4.259 1.00 0.00 C ATOM 0 H LEU B 47 9.231 13.647 -4.955 1.00 0.00 H new ATOM 0 HA LEU B 47 10.136 14.904 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU B 47 8.734 16.086 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.679 16.980 -3.853 1.00 0.00 H new ATOM 0 HG LEU B 47 10.723 14.800 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.984 16.703 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU B 47 10.227 16.971 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU B 47 11.196 17.824 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU B 47 12.965 15.433 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.214 16.557 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.936 14.806 -3.556 1.00 0.00 H new ATOM 658 N LYS B 48 8.168 15.822 -1.343 1.00 0.00 N ATOM 659 CA LYS B 48 7.063 16.244 -0.506 1.00 0.00 C ATOM 660 C LYS B 48 7.298 17.670 -0.019 1.00 0.00 C ATOM 661 O LYS B 48 7.225 17.954 1.177 1.00 0.00 O ATOM 662 CB LYS B 48 6.883 15.252 0.643 1.00 0.00 C ATOM 663 CG LYS B 48 6.076 14.045 0.166 1.00 0.00 C ATOM 664 CD LYS B 48 5.761 13.134 1.353 1.00 0.00 C ATOM 665 CE LYS B 48 4.730 12.077 0.955 1.00 0.00 C ATOM 666 NZ LYS B 48 5.224 11.230 -0.145 1.00 0.00 N ATOM 0 H LYS B 48 9.081 15.996 -0.923 1.00 0.00 H new ATOM 0 HA LYS B 48 6.136 16.250 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.856 14.927 1.011 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.373 15.736 1.476 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.151 14.377 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.638 13.494 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.674 12.649 1.699 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.380 13.728 2.184 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.494 11.454 1.818 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.804 12.566 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 4.495 10.535 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 5.442 11.825 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 6.085 10.732 0.160 1.00 0.00 H new ATOM 680 N ASN B 49 7.584 18.573 -0.962 1.00 0.00 N ATOM 681 CA ASN B 49 7.710 19.992 -0.679 1.00 0.00 C ATOM 682 C ASN B 49 6.327 20.648 -0.608 1.00 0.00 C ATOM 683 O ASN B 49 6.222 21.868 -0.471 1.00 0.00 O ATOM 684 CB ASN B 49 8.576 20.656 -1.754 1.00 0.00 C ATOM 685 CG ASN B 49 9.981 20.066 -1.796 1.00 0.00 C ATOM 686 OD1 ASN B 49 10.466 19.521 -0.806 1.00 0.00 O ATOM 687 ND2 ASN B 49 10.643 20.173 -2.942 1.00 0.00 N ATOM 0 H ASN B 49 7.733 18.333 -1.942 1.00 0.00 H new ATOM 0 HA ASN B 49 8.193 20.123 0.289 1.00 0.00 H new ATOM 0 HB2 ASN B 49 8.102 20.535 -2.728 1.00 0.00 H new ATOM 0 HB3 ASN B 49 8.637 21.727 -1.560 1.00 0.00 H new ATOM 0 HD21 ASN B 49 11.587 19.796 -3.023 1.00 0.00 H new ATOM 0 HD22 ASN B 49 10.207 20.632 -3.742 1.00 0.00 H new ATOM 770 N PRO B 55 9.132 21.036 4.054 1.00 0.00 N ATOM 771 CA PRO B 55 9.545 20.344 2.849 1.00 0.00 C ATOM 772 C PRO B 55 10.486 19.197 3.188 1.00 0.00 C ATOM 773 O PRO B 55 11.363 19.340 4.039 1.00 0.00 O ATOM 774 CB PRO B 55 10.251 21.399 1.999 1.00 0.00 C ATOM 775 CG PRO B 55 10.764 22.415 3.023 1.00 0.00 C ATOM 776 CD PRO B 55 9.731 22.352 4.149 1.00 0.00 C ATOM 0 HA PRO B 55 8.700 19.904 2.320 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.068 20.966 1.422 1.00 0.00 H new ATOM 0 HB3 PRO B 55 9.568 21.861 1.286 1.00 0.00 H new ATOM 0 HG2 PRO B 55 11.761 22.155 3.380 1.00 0.00 H new ATOM 0 HG3 PRO B 55 10.829 23.416 2.596 1.00 0.00 H new ATOM 0 HD2 PRO B 55 10.201 22.500 5.121 1.00 0.00 H new ATOM 0 HD3 PRO B 55 8.980 23.134 4.036 1.00 0.00 H new ATOM 784 N PHE B 56 10.301 18.057 2.521 1.00 0.00 N ATOM 785 CA PHE B 56 11.175 16.896 2.673 1.00 0.00 C ATOM 786 C PHE B 56 10.838 15.961 1.512 1.00 0.00 C ATOM 787 O PHE B 56 9.995 16.292 0.679 1.00 0.00 O ATOM 788 CB PHE B 56 10.889 16.226 4.021 1.00 0.00 C ATOM 789 CG PHE B 56 9.609 15.419 4.099 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.362 16.036 3.916 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.673 14.048 4.385 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.182 15.283 4.040 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.493 13.307 4.539 1.00 0.00 C ATOM 794 CZ PHE B 56 7.249 13.920 4.354 1.00 0.00 C ATOM 0 H PHE B 56 9.539 17.914 1.859 1.00 0.00 H new ATOM 0 HA PHE B 56 12.232 17.163 2.656 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.725 15.570 4.264 1.00 0.00 H new ATOM 0 HB3 PHE B 56 10.856 16.998 4.789 1.00 0.00 H new ATOM 0 HD1 PHE B 56 8.309 17.089 3.680 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.632 13.562 4.487 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.222 15.756 3.893 1.00 0.00 H new ATOM 0 HE2 PHE B 56 8.544 12.261 4.801 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.342 13.343 4.453 1.00 0.00 H new ATOM 804 N ALA B 57 11.490 14.796 1.444 1.00 0.00 N ATOM 805 CA ALA B 57 11.257 13.874 0.344 1.00 0.00 C ATOM 806 C ALA B 57 11.651 12.444 0.701 1.00 0.00 C ATOM 807 O ALA B 57 12.333 12.197 1.693 1.00 0.00 O ATOM 808 CB ALA B 57 12.063 14.334 -0.872 1.00 0.00 C ATOM 0 H ALA B 57 12.173 14.478 2.131 1.00 0.00 H new ATOM 0 HA ALA B 57 10.190 13.877 0.123 1.00 0.00 H new ATOM 0 HB1 ALA B 57 11.894 13.648 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA B 57 11.747 15.336 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.124 14.346 -0.622 1.00 0.00 H new ATOM 814 N PHE B 58 11.209 11.502 -0.140 1.00 0.00 N ATOM 815 CA PHE B 58 11.625 10.112 -0.088 1.00 0.00 C ATOM 816 C PHE B 58 12.262 9.693 -1.410 1.00 0.00 C ATOM 817 O PHE B 58 12.013 10.312 -2.443 1.00 0.00 O ATOM 818 CB PHE B 58 10.447 9.213 0.288 1.00 0.00 C ATOM 819 CG PHE B 58 9.946 9.426 1.698 1.00 0.00 C ATOM 820 CD1 PHE B 58 8.759 10.134 1.912 1.00 0.00 C ATOM 821 CD2 PHE B 58 10.662 8.904 2.786 1.00 0.00 C ATOM 822 CE1 PHE B 58 8.300 10.343 3.218 1.00 0.00 C ATOM 823 CE2 PHE B 58 10.194 9.103 4.091 1.00 0.00 C ATOM 824 CZ PHE B 58 9.015 9.828 4.309 1.00 0.00 C ATOM 0 H PHE B 58 10.541 11.696 -0.886 1.00 0.00 H new ATOM 0 HA PHE B 58 12.382 10.000 0.688 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.629 9.391 -0.410 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.745 8.171 0.171 1.00 0.00 H new ATOM 0 HD1 PHE B 58 8.198 10.518 1.073 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.573 8.349 2.617 1.00 0.00 H new ATOM 0 HE1 PHE B 58 7.392 10.903 3.386 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.742 8.698 4.929 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.658 9.990 5.315 1.00 0.00 H new ATOM 834 N VAL B 59 13.081 8.640 -1.377 1.00 0.00 N ATOM 835 CA VAL B 59 13.784 8.162 -2.560 1.00 0.00 C ATOM 836 C VAL B 59 13.744 6.641 -2.559 1.00 0.00 C ATOM 837 O VAL B 59 13.944 6.024 -1.516 1.00 0.00 O ATOM 838 CB VAL B 59 15.226 8.673 -2.527 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.037 8.047 -3.658 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.254 10.195 -2.683 1.00 0.00 C ATOM 0 H VAL B 59 13.272 8.100 -0.533 1.00 0.00 H new ATOM 0 HA VAL B 59 13.311 8.530 -3.470 1.00 0.00 H new ATOM 0 HB VAL B 59 15.662 8.395 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.061 8.420 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.042 6.963 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.589 8.310 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.286 10.544 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.801 10.472 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.695 10.655 -1.868 1.00 0.00 H new ATOM 850 N GLU B 60 13.488 6.037 -3.724 1.00 0.00 N ATOM 851 CA GLU B 60 13.359 4.591 -3.840 1.00 0.00 C ATOM 852 C GLU B 60 14.451 4.019 -4.744 1.00 0.00 C ATOM 853 O GLU B 60 14.482 4.295 -5.941 1.00 0.00 O ATOM 854 CB GLU B 60 11.959 4.261 -4.357 1.00 0.00 C ATOM 855 CG GLU B 60 11.770 2.748 -4.480 1.00 0.00 C ATOM 856 CD GLU B 60 10.292 2.372 -4.634 1.00 0.00 C ATOM 857 OE1 GLU B 60 10.041 1.199 -4.989 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.434 3.252 -4.391 1.00 0.00 O ATOM 0 H GLU B 60 13.366 6.538 -4.604 1.00 0.00 H new ATOM 0 HA GLU B 60 13.489 4.128 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.210 4.672 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.804 4.732 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.331 2.380 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.180 2.257 -3.598 1.00 0.00 H new ATOM 865 N PHE B 61 15.346 3.221 -4.154 1.00 0.00 N ATOM 866 CA PHE B 61 16.501 2.653 -4.837 1.00 0.00 C ATOM 867 C PHE B 61 16.237 1.393 -5.656 1.00 0.00 C ATOM 868 O PHE B 61 15.170 0.789 -5.554 1.00 0.00 O ATOM 869 CB PHE B 61 17.648 2.455 -3.843 1.00 0.00 C ATOM 870 CG PHE B 61 18.391 3.733 -3.546 1.00 0.00 C ATOM 871 CD1 PHE B 61 17.876 4.654 -2.623 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.597 4.002 -4.205 1.00 0.00 C ATOM 873 CE1 PHE B 61 18.560 5.848 -2.373 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.283 5.198 -3.956 1.00 0.00 C ATOM 875 CZ PHE B 61 19.763 6.122 -3.037 1.00 0.00 C ATOM 0 H PHE B 61 15.283 2.950 -3.173 1.00 0.00 H new ATOM 0 HA PHE B 61 16.782 3.387 -5.592 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.251 2.047 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.346 1.719 -4.242 1.00 0.00 H new ATOM 0 HD1 PHE B 61 16.952 4.442 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.999 3.286 -4.907 1.00 0.00 H new ATOM 0 HE1 PHE B 61 18.160 6.560 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE B 61 21.209 5.408 -4.470 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.290 7.044 -2.841 1.00 0.00 H new ATOM 885 N GLU B 62 17.221 0.999 -6.471 1.00 0.00 N ATOM 886 CA GLU B 62 17.164 -0.249 -7.221 1.00 0.00 C ATOM 887 C GLU B 62 17.164 -1.435 -6.256 1.00 0.00 C ATOM 888 O GLU B 62 16.507 -2.444 -6.508 1.00 0.00 O ATOM 889 CB GLU B 62 18.374 -0.312 -8.164 1.00 0.00 C ATOM 890 CG GLU B 62 18.471 -1.663 -8.881 1.00 0.00 C ATOM 891 CD GLU B 62 17.287 -1.916 -9.813 1.00 0.00 C ATOM 892 OE1 GLU B 62 17.105 -3.091 -10.199 1.00 0.00 O ATOM 893 OE2 GLU B 62 16.574 -0.940 -10.133 1.00 0.00 O ATOM 0 H GLU B 62 18.074 1.537 -6.625 1.00 0.00 H new ATOM 0 HA GLU B 62 16.248 -0.293 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU B 62 18.300 0.486 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU B 62 19.287 -0.137 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.396 -1.700 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.524 -2.461 -8.140 1.00 0.00 H new ATOM 900 N ASP B 63 17.900 -1.309 -5.149 1.00 0.00 N ATOM 901 CA ASP B 63 17.932 -2.304 -4.087 1.00 0.00 C ATOM 902 C ASP B 63 18.423 -1.673 -2.780 1.00 0.00 C ATOM 903 O ASP B 63 19.011 -0.590 -2.803 1.00 0.00 O ATOM 904 CB ASP B 63 18.795 -3.508 -4.509 1.00 0.00 C ATOM 905 CG ASP B 63 20.210 -3.123 -4.946 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.678 -2.040 -4.536 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.815 -3.929 -5.689 1.00 0.00 O ATOM 0 H ASP B 63 18.496 -0.501 -4.968 1.00 0.00 H new ATOM 0 HA ASP B 63 16.922 -2.673 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.859 -4.209 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP B 63 18.300 -4.030 -5.328 1.00 0.00 H new ATOM 912 N PRO B 64 18.190 -2.330 -1.636 1.00 0.00 N ATOM 913 CA PRO B 64 18.592 -1.824 -0.333 1.00 0.00 C ATOM 914 C PRO B 64 20.109 -1.704 -0.200 1.00 0.00 C ATOM 915 O PRO B 64 20.592 -0.999 0.686 1.00 0.00 O ATOM 916 CB PRO B 64 18.038 -2.827 0.688 1.00 0.00 C ATOM 917 CG PRO B 64 16.981 -3.627 -0.075 1.00 0.00 C ATOM 918 CD PRO B 64 17.476 -3.584 -1.515 1.00 0.00 C ATOM 0 HA PRO B 64 18.204 -0.817 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.825 -3.477 1.070 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.602 -2.316 1.547 1.00 0.00 H new ATOM 0 HG2 PRO B 64 16.908 -4.650 0.294 1.00 0.00 H new ATOM 0 HG3 PRO B 64 15.991 -3.181 0.023 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.128 -4.430 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO B 64 16.645 -3.633 -2.218 1.00 0.00 H new ATOM 926 N ARG B 65 20.869 -2.387 -1.066 1.00 0.00 N ATOM 927 CA ARG B 65 22.322 -2.416 -0.967 1.00 0.00 C ATOM 928 C ARG B 65 22.929 -1.127 -1.522 1.00 0.00 C ATOM 929 O ARG B 65 23.872 -0.592 -0.942 1.00 0.00 O ATOM 930 CB ARG B 65 22.857 -3.638 -1.721 1.00 0.00 C ATOM 931 CG ARG B 65 24.330 -3.884 -1.365 1.00 0.00 C ATOM 932 CD ARG B 65 25.179 -4.013 -2.631 1.00 0.00 C ATOM 933 NE ARG B 65 25.300 -2.725 -3.324 1.00 0.00 N ATOM 934 CZ ARG B 65 26.215 -1.801 -3.032 1.00 0.00 C ATOM 935 NH1 ARG B 65 27.091 -1.989 -2.049 1.00 0.00 N ATOM 936 NH2 ARG B 65 26.253 -0.675 -3.732 1.00 0.00 N ATOM 0 H ARG B 65 20.493 -2.928 -1.845 1.00 0.00 H new ATOM 0 HA ARG B 65 22.608 -2.490 0.082 1.00 0.00 H new ATOM 0 HB2 ARG B 65 22.264 -4.517 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG B 65 22.757 -3.483 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG B 65 24.703 -3.063 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG B 65 24.418 -4.792 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG B 65 26.171 -4.383 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.730 -4.748 -3.300 1.00 0.00 H new ATOM 0 HE ARG B 65 24.642 -2.524 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG B 65 27.069 -2.851 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG B 65 27.784 -1.271 -1.840 1.00 0.00 H new ATOM 0 HH21 ARG B 65 25.585 -0.521 -4.487 1.00 0.00 H new ATOM 0 HH22 ARG B 65 26.950 0.037 -3.515 1.00 0.00 H new ATOM 950 N ASP B 66 22.394 -0.626 -2.639 1.00 0.00 N ATOM 951 CA ASP B 66 22.879 0.610 -3.235 1.00 0.00 C ATOM 952 C ASP B 66 22.493 1.839 -2.416 1.00 0.00 C ATOM 953 O ASP B 66 23.153 2.875 -2.492 1.00 0.00 O ATOM 954 CB ASP B 66 22.378 0.739 -4.676 1.00 0.00 C ATOM 955 CG ASP B 66 23.048 -0.260 -5.626 1.00 0.00 C ATOM 956 OD1 ASP B 66 23.949 -0.996 -5.168 1.00 0.00 O ATOM 957 OD2 ASP B 66 22.644 -0.273 -6.808 1.00 0.00 O ATOM 0 H ASP B 66 21.624 -1.063 -3.145 1.00 0.00 H new ATOM 0 HA ASP B 66 23.968 0.562 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.299 0.586 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.563 1.753 -5.031 1.00 0.00 H new ATOM 962 N ALA B 67 21.419 1.726 -1.629 1.00 0.00 N ATOM 963 CA ALA B 67 20.961 2.825 -0.798 1.00 0.00 C ATOM 964 C ALA B 67 21.970 3.112 0.310 1.00 0.00 C ATOM 965 O ALA B 67 22.079 4.248 0.765 1.00 0.00 O ATOM 966 CB ALA B 67 19.598 2.461 -0.212 1.00 0.00 C ATOM 0 H ALA B 67 20.855 0.880 -1.555 1.00 0.00 H new ATOM 0 HA ALA B 67 20.866 3.729 -1.400 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.242 3.278 0.415 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.888 2.288 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.690 1.556 0.389 1.00 0.00 H new ATOM 972 N GLU B 68 22.712 2.092 0.746 1.00 0.00 N ATOM 973 CA GLU B 68 23.697 2.251 1.807 1.00 0.00 C ATOM 974 C GLU B 68 24.871 3.102 1.324 1.00 0.00 C ATOM 975 O GLU B 68 25.451 3.856 2.102 1.00 0.00 O ATOM 976 CB GLU B 68 24.166 0.862 2.264 1.00 0.00 C ATOM 977 CG GLU B 68 25.272 0.941 3.324 1.00 0.00 C ATOM 978 CD GLU B 68 24.802 1.557 4.642 1.00 0.00 C ATOM 979 OE1 GLU B 68 23.591 1.856 4.756 1.00 0.00 O ATOM 980 OE2 GLU B 68 25.668 1.723 5.530 1.00 0.00 O ATOM 0 H GLU B 68 22.645 1.144 0.376 1.00 0.00 H new ATOM 0 HA GLU B 68 23.247 2.769 2.654 1.00 0.00 H new ATOM 0 HB2 GLU B 68 23.318 0.309 2.668 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.531 0.302 1.403 1.00 0.00 H new ATOM 0 HG2 GLU B 68 25.655 -0.061 3.515 1.00 0.00 H new ATOM 0 HG3 GLU B 68 26.101 1.529 2.931 1.00 0.00 H new ATOM 987 N ASP B 69 25.226 2.983 0.043 1.00 0.00 N ATOM 988 CA ASP B 69 26.313 3.762 -0.528 1.00 0.00 C ATOM 989 C ASP B 69 25.936 5.223 -0.744 1.00 0.00 C ATOM 990 O ASP B 69 26.778 6.110 -0.604 1.00 0.00 O ATOM 991 CB ASP B 69 26.784 3.129 -1.840 1.00 0.00 C ATOM 992 CG ASP B 69 27.530 1.811 -1.624 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.705 1.419 -0.449 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.925 1.207 -2.648 1.00 0.00 O ATOM 0 H ASP B 69 24.771 2.351 -0.616 1.00 0.00 H new ATOM 0 HA ASP B 69 27.130 3.751 0.193 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.922 2.953 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.435 3.829 -2.363 1.00 0.00 H new ATOM 999 N ALA B 70 24.671 5.481 -1.080 1.00 0.00 N ATOM 1000 CA ALA B 70 24.171 6.836 -1.252 1.00 0.00 C ATOM 1001 C ALA B 70 24.005 7.513 0.107 1.00 0.00 C ATOM 1002 O ALA B 70 24.194 8.722 0.227 1.00 0.00 O ATOM 1003 CB ALA B 70 22.831 6.779 -1.987 1.00 0.00 C ATOM 0 H ALA B 70 23.971 4.756 -1.239 1.00 0.00 H new ATOM 0 HA ALA B 70 24.882 7.419 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA B 70 22.447 7.790 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.970 6.311 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA B 70 22.120 6.195 -1.402 1.00 0.00 H new ATOM 1009 N VAL B 71 23.649 6.735 1.135 1.00 0.00 N ATOM 1010 CA VAL B 71 23.475 7.262 2.477 1.00 0.00 C ATOM 1011 C VAL B 71 24.855 7.611 3.030 1.00 0.00 C ATOM 1012 O VAL B 71 25.042 8.680 3.603 1.00 0.00 O ATOM 1013 CB VAL B 71 22.791 6.196 3.346 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.986 6.482 4.837 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.294 6.177 3.045 1.00 0.00 C ATOM 0 H VAL B 71 23.477 5.733 1.054 1.00 0.00 H new ATOM 0 HA VAL B 71 22.851 8.156 2.473 1.00 0.00 H new ATOM 0 HB VAL B 71 23.243 5.232 3.112 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.490 5.709 5.424 1.00 0.00 H new ATOM 0 HG12 VAL B 71 24.051 6.487 5.070 1.00 0.00 H new ATOM 0 HG13 VAL B 71 22.557 7.454 5.080 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.808 5.421 3.662 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.866 7.155 3.266 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.138 5.942 1.992 1.00 0.00 H new ATOM 1025 N SER B 72 25.830 6.716 2.853 1.00 0.00 N ATOM 1026 CA SER B 72 27.170 6.923 3.373 1.00 0.00 C ATOM 1027 C SER B 72 27.897 8.042 2.621 1.00 0.00 C ATOM 1028 O SER B 72 28.904 8.560 3.105 1.00 0.00 O ATOM 1029 CB SER B 72 27.944 5.609 3.268 1.00 0.00 C ATOM 1030 OG SER B 72 29.258 5.772 3.758 1.00 0.00 O ATOM 0 H SER B 72 25.708 5.838 2.349 1.00 0.00 H new ATOM 0 HA SER B 72 27.104 7.232 4.416 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.432 4.831 3.834 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.974 5.279 2.229 1.00 0.00 H new ATOM 0 HG SER B 72 29.742 4.923 3.686 1.00 0.00 H new ATOM 1036 N GLY B 73 27.394 8.417 1.438 1.00 0.00 N ATOM 1037 CA GLY B 73 28.072 9.380 0.582 1.00 0.00 C ATOM 1038 C GLY B 73 27.454 10.779 0.620 1.00 0.00 C ATOM 1039 O GLY B 73 28.039 11.707 0.064 1.00 0.00 O ATOM 0 H GLY B 73 26.517 8.063 1.057 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.118 9.446 0.882 1.00 0.00 H new ATOM 0 HA3 GLY B 73 28.057 9.014 -0.445 1.00 0.00 H new ATOM 1043 N ARG B 74 26.291 10.955 1.257 1.00 0.00 N ATOM 1044 CA ARG B 74 25.598 12.243 1.231 1.00 0.00 C ATOM 1045 C ARG B 74 24.967 12.617 2.573 1.00 0.00 C ATOM 1046 O ARG B 74 24.550 13.760 2.748 1.00 0.00 O ATOM 1047 CB ARG B 74 24.514 12.223 0.143 1.00 0.00 C ATOM 1048 CG ARG B 74 25.091 12.131 -1.271 1.00 0.00 C ATOM 1049 CD ARG B 74 25.866 13.407 -1.624 1.00 0.00 C ATOM 1050 NE ARG B 74 26.271 13.413 -3.035 1.00 0.00 N ATOM 1051 CZ ARG B 74 27.392 12.854 -3.497 1.00 0.00 C ATOM 1052 NH1 ARG B 74 28.233 12.231 -2.675 1.00 0.00 N ATOM 1053 NH2 ARG B 74 27.675 12.914 -4.794 1.00 0.00 N ATOM 0 H ARG B 74 25.815 10.228 1.791 1.00 0.00 H new ATOM 0 HA ARG B 74 26.351 13.001 1.013 1.00 0.00 H new ATOM 0 HB2 ARG B 74 23.850 11.376 0.315 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.908 13.125 0.225 1.00 0.00 H new ATOM 0 HG2 ARG B 74 25.751 11.267 -1.344 1.00 0.00 H new ATOM 0 HG3 ARG B 74 24.285 11.979 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG B 74 25.247 14.280 -1.418 1.00 0.00 H new ATOM 0 HD3 ARG B 74 26.749 13.486 -0.990 1.00 0.00 H new ATOM 0 HE ARG B 74 25.656 13.874 -3.706 1.00 0.00 H new ATOM 0 HH11 ARG B 74 28.025 12.176 -1.678 1.00 0.00 H new ATOM 0 HH12 ARG B 74 29.086 11.808 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG B 74 27.036 13.386 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG B 74 28.531 12.488 -5.150 1.00 0.00 H new ATOM 1067 N ASP B 75 24.881 11.680 3.520 1.00 0.00 N ATOM 1068 CA ASP B 75 24.229 11.953 4.792 1.00 0.00 C ATOM 1069 C ASP B 75 25.146 12.788 5.684 1.00 0.00 C ATOM 1070 O ASP B 75 26.368 12.641 5.644 1.00 0.00 O ATOM 1071 CB ASP B 75 23.898 10.632 5.489 1.00 0.00 C ATOM 1072 CG ASP B 75 23.049 10.848 6.739 1.00 0.00 C ATOM 1073 OD1 ASP B 75 23.144 9.994 7.647 1.00 0.00 O ATOM 1074 OD2 ASP B 75 22.312 11.862 6.774 1.00 0.00 O ATOM 0 H ASP B 75 25.253 10.735 3.427 1.00 0.00 H new ATOM 0 HA ASP B 75 23.310 12.510 4.609 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.366 9.979 4.797 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.823 10.123 5.761 1.00 0.00 H new ATOM 1079 N GLY B 76 24.549 13.667 6.492 1.00 0.00 N ATOM 1080 CA GLY B 76 25.267 14.404 7.517 1.00 0.00 C ATOM 1081 C GLY B 76 26.361 15.291 6.926 1.00 0.00 C ATOM 1082 O GLY B 76 27.446 15.383 7.503 1.00 0.00 O ATOM 0 H GLY B 76 23.553 13.883 6.449 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.565 15.020 8.079 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.711 13.703 8.223 1.00 0.00 H new ATOM 1086 N TYR B 77 26.095 15.943 5.790 1.00 0.00 N ATOM 1087 CA TYR B 77 27.106 16.720 5.093 1.00 0.00 C ATOM 1088 C TYR B 77 27.074 18.203 5.436 1.00 0.00 C ATOM 1089 O TYR B 77 26.016 18.827 5.411 1.00 0.00 O ATOM 1090 CB TYR B 77 27.084 16.438 3.589 1.00 0.00 C ATOM 1091 CG TYR B 77 27.870 17.431 2.767 1.00 0.00 C ATOM 1092 CD1 TYR B 77 27.200 18.337 1.930 1.00 0.00 C ATOM 1093 CD2 TYR B 77 29.273 17.441 2.840 1.00 0.00 C ATOM 1094 CE1 TYR B 77 27.930 19.262 1.171 1.00 0.00 C ATOM 1095 CE2 TYR B 77 30.007 18.365 2.082 1.00 0.00 C ATOM 1096 CZ TYR B 77 29.338 19.278 1.242 1.00 0.00 C ATOM 1097 OH TYR B 77 30.046 20.178 0.502 1.00 0.00 O ATOM 0 H TYR B 77 25.181 15.943 5.337 1.00 0.00 H new ATOM 0 HA TYR B 77 28.075 16.382 5.461 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.482 15.439 3.411 1.00 0.00 H new ATOM 0 HB3 TYR B 77 26.050 16.435 3.245 1.00 0.00 H new ATOM 0 HD1 TYR B 77 26.122 18.321 1.871 1.00 0.00 H new ATOM 0 HD2 TYR B 77 29.786 16.738 3.479 1.00 0.00 H new ATOM 0 HE1 TYR B 77 27.414 19.963 0.532 1.00 0.00 H new ATOM 0 HE2 TYR B 77 31.085 18.377 2.142 1.00 0.00 H new ATOM 0 HH TYR B 77 31.004 20.056 0.668 1.00 0.00 H new ATOM 1107 N ASP B 78 28.244 18.754 5.755 1.00 0.00 N ATOM 1108 CA ASP B 78 28.401 20.149 6.137 1.00 0.00 C ATOM 1109 C ASP B 78 27.977 21.110 5.027 1.00 0.00 C ATOM 1110 O ASP B 78 28.681 21.276 4.034 1.00 0.00 O ATOM 1111 CB ASP B 78 29.844 20.391 6.595 1.00 0.00 C ATOM 1112 CG ASP B 78 30.173 21.873 6.770 1.00 0.00 C ATOM 1113 OD1 ASP B 78 31.381 22.205 6.680 1.00 0.00 O ATOM 1114 OD2 ASP B 78 29.227 22.658 6.993 1.00 0.00 O ATOM 0 H ASP B 78 29.121 18.232 5.754 1.00 0.00 H new ATOM 0 HA ASP B 78 27.730 20.357 6.970 1.00 0.00 H new ATOM 0 HB2 ASP B 78 30.012 19.873 7.539 1.00 0.00 H new ATOM 0 HB3 ASP B 78 30.529 19.956 5.867 1.00 0.00 H new ATOM 1119 N TYR B 79 26.815 21.739 5.212 1.00 0.00 N ATOM 1120 CA TYR B 79 26.275 22.722 4.291 1.00 0.00 C ATOM 1121 C TYR B 79 26.243 24.117 4.912 1.00 0.00 C ATOM 1122 O TYR B 79 26.462 24.268 6.113 1.00 0.00 O ATOM 1123 CB TYR B 79 24.905 22.249 3.796 1.00 0.00 C ATOM 1124 CG TYR B 79 24.140 23.251 2.957 1.00 0.00 C ATOM 1125 CD1 TYR B 79 24.272 23.241 1.560 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.298 24.183 3.577 1.00 0.00 C ATOM 1127 CE1 TYR B 79 23.558 24.159 0.778 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.579 25.106 2.803 1.00 0.00 C ATOM 1129 CZ TYR B 79 22.706 25.095 1.400 1.00 0.00 C ATOM 1130 OH TYR B 79 22.007 25.987 0.645 1.00 0.00 O ATOM 0 H TYR B 79 26.218 21.572 6.022 1.00 0.00 H new ATOM 0 HA TYR B 79 26.931 22.810 3.425 1.00 0.00 H new ATOM 0 HB2 TYR B 79 25.042 21.339 3.211 1.00 0.00 H new ATOM 0 HB3 TYR B 79 24.296 21.983 4.660 1.00 0.00 H new ATOM 0 HD1 TYR B 79 24.926 22.524 1.086 1.00 0.00 H new ATOM 0 HD2 TYR B 79 23.202 24.191 4.653 1.00 0.00 H new ATOM 0 HE1 TYR B 79 23.660 24.150 -0.297 1.00 0.00 H new ATOM 0 HE2 TYR B 79 21.929 25.824 3.282 1.00 0.00 H new ATOM 0 HH TYR B 79 21.468 26.559 1.230 1.00 0.00 H new ATOM 1140 N ASP B 80 25.973 25.142 4.102 1.00 0.00 N ATOM 1141 CA ASP B 80 25.931 26.514 4.574 1.00 0.00 C ATOM 1142 C ASP B 80 24.856 26.724 5.646 1.00 0.00 C ATOM 1143 O ASP B 80 23.682 26.889 5.326 1.00 0.00 O ATOM 1144 CB ASP B 80 25.755 27.462 3.383 1.00 0.00 C ATOM 1145 CG ASP B 80 25.471 28.902 3.814 1.00 0.00 C ATOM 1146 OD1 ASP B 80 24.938 29.655 2.969 1.00 0.00 O ATOM 1147 OD2 ASP B 80 25.788 29.240 4.977 1.00 0.00 O ATOM 0 H ASP B 80 25.779 25.038 3.106 1.00 0.00 H new ATOM 0 HA ASP B 80 26.880 26.742 5.060 1.00 0.00 H new ATOM 0 HB2 ASP B 80 26.656 27.441 2.771 1.00 0.00 H new ATOM 0 HB3 ASP B 80 24.936 27.106 2.758 1.00 0.00 H new ATOM 1152 N GLY B 81 25.267 26.714 6.919 1.00 0.00 N ATOM 1153 CA GLY B 81 24.382 26.956 8.050 1.00 0.00 C ATOM 1154 C GLY B 81 23.553 25.723 8.426 1.00 0.00 C ATOM 1155 O GLY B 81 22.832 25.755 9.421 1.00 0.00 O ATOM 0 H GLY B 81 26.234 26.535 7.189 1.00 0.00 H new ATOM 0 HA2 GLY B 81 24.975 27.266 8.910 1.00 0.00 H new ATOM 0 HA3 GLY B 81 23.711 27.781 7.811 1.00 0.00 H new ATOM 1159 N TYR B 82 23.648 24.643 7.642 1.00 0.00 N ATOM 1160 CA TYR B 82 22.881 23.427 7.880 1.00 0.00 C ATOM 1161 C TYR B 82 23.682 22.152 7.603 1.00 0.00 C ATOM 1162 O TYR B 82 24.889 22.201 7.378 1.00 0.00 O ATOM 1163 CB TYR B 82 21.578 23.465 7.076 1.00 0.00 C ATOM 1164 CG TYR B 82 20.613 24.541 7.517 1.00 0.00 C ATOM 1165 CD1 TYR B 82 19.584 24.234 8.420 1.00 0.00 C ATOM 1166 CD2 TYR B 82 20.749 25.842 7.015 1.00 0.00 C ATOM 1167 CE1 TYR B 82 18.685 25.233 8.823 1.00 0.00 C ATOM 1168 CE2 TYR B 82 19.852 26.844 7.412 1.00 0.00 C ATOM 1169 CZ TYR B 82 18.816 26.541 8.316 1.00 0.00 C ATOM 1170 OH TYR B 82 17.946 27.518 8.701 1.00 0.00 O ATOM 0 H TYR B 82 24.259 24.593 6.827 1.00 0.00 H new ATOM 0 HA TYR B 82 22.638 23.395 8.942 1.00 0.00 H new ATOM 0 HB2 TYR B 82 21.817 23.616 6.023 1.00 0.00 H new ATOM 0 HB3 TYR B 82 21.086 22.496 7.156 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.484 23.230 8.805 1.00 0.00 H new ATOM 0 HD2 TYR B 82 21.545 26.073 6.322 1.00 0.00 H new ATOM 0 HE1 TYR B 82 17.894 25.000 9.520 1.00 0.00 H new ATOM 0 HE2 TYR B 82 19.956 27.847 7.025 1.00 0.00 H new ATOM 0 HH TYR B 82 18.182 28.359 8.257 1.00 0.00 H new ATOM 1180 N ARG B 83 22.998 21.002 7.620 1.00 0.00 N ATOM 1181 CA ARG B 83 23.618 19.697 7.424 1.00 0.00 C ATOM 1182 C ARG B 83 22.629 18.778 6.714 1.00 0.00 C ATOM 1183 O ARG B 83 21.488 18.642 7.156 1.00 0.00 O ATOM 1184 CB ARG B 83 24.040 19.149 8.792 1.00 0.00 C ATOM 1185 CG ARG B 83 24.851 17.864 8.655 1.00 0.00 C ATOM 1186 CD ARG B 83 25.429 17.490 10.021 1.00 0.00 C ATOM 1187 NE ARG B 83 26.296 16.309 9.937 1.00 0.00 N ATOM 1188 CZ ARG B 83 26.325 15.326 10.842 1.00 0.00 C ATOM 1189 NH1 ARG B 83 25.546 15.372 11.920 1.00 0.00 N ATOM 1190 NH2 ARG B 83 27.139 14.292 10.665 1.00 0.00 N ATOM 0 H ARG B 83 21.990 20.956 7.772 1.00 0.00 H new ATOM 0 HA ARG B 83 24.508 19.769 6.798 1.00 0.00 H new ATOM 0 HB2 ARG B 83 24.631 19.899 9.319 1.00 0.00 H new ATOM 0 HB3 ARG B 83 23.154 18.958 9.398 1.00 0.00 H new ATOM 0 HG2 ARG B 83 24.219 17.059 8.281 1.00 0.00 H new ATOM 0 HG3 ARG B 83 25.654 18.002 7.931 1.00 0.00 H new ATOM 0 HD2 ARG B 83 25.997 18.331 10.419 1.00 0.00 H new ATOM 0 HD3 ARG B 83 24.615 17.296 10.720 1.00 0.00 H new ATOM 0 HE ARG B 83 26.919 16.233 9.133 1.00 0.00 H new ATOM 0 HH11 ARG B 83 24.918 16.163 12.062 1.00 0.00 H new ATOM 0 HH12 ARG B 83 25.577 14.616 12.604 1.00 0.00 H new ATOM 0 HH21 ARG B 83 27.739 14.250 9.841 1.00 0.00 H new ATOM 0 HH22 ARG B 83 27.165 13.539 11.353 1.00 0.00 H new ATOM 1204 N LEU B 84 23.069 18.151 5.620 1.00 0.00 N ATOM 1205 CA LEU B 84 22.202 17.329 4.779 1.00 0.00 C ATOM 1206 C LEU B 84 21.695 16.125 5.564 1.00 0.00 C ATOM 1207 O LEU B 84 22.399 15.600 6.424 1.00 0.00 O ATOM 1208 CB LEU B 84 22.970 16.856 3.540 1.00 0.00 C ATOM 1209 CG LEU B 84 23.028 17.895 2.411 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.627 18.168 1.858 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.644 19.210 2.883 1.00 0.00 C ATOM 0 H LEU B 84 24.035 18.200 5.295 1.00 0.00 H new ATOM 0 HA LEU B 84 21.349 17.929 4.463 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.987 16.594 3.833 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.504 15.947 3.160 1.00 0.00 H new ATOM 0 HG LEU B 84 23.659 17.478 1.626 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.689 18.907 1.059 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.204 17.243 1.465 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.989 18.549 2.655 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.667 19.919 2.055 1.00 0.00 H new ATOM 0 HD22 LEU B 84 23.046 19.621 3.696 1.00 0.00 H new ATOM 0 HD23 LEU B 84 24.660 19.030 3.235 1.00 0.00 H new ATOM 1223 N ARG B 85 20.474 15.690 5.249 1.00 0.00 N ATOM 1224 CA ARG B 85 19.887 14.496 5.841 1.00 0.00 C ATOM 1225 C ARG B 85 19.612 13.493 4.731 1.00 0.00 C ATOM 1226 O ARG B 85 18.852 13.783 3.809 1.00 0.00 O ATOM 1227 CB ARG B 85 18.585 14.861 6.569 1.00 0.00 C ATOM 1228 CG ARG B 85 18.749 16.060 7.504 1.00 0.00 C ATOM 1229 CD ARG B 85 19.755 15.757 8.612 1.00 0.00 C ATOM 1230 NE ARG B 85 19.864 16.888 9.539 1.00 0.00 N ATOM 1231 CZ ARG B 85 20.477 16.831 10.721 1.00 0.00 C ATOM 1232 NH1 ARG B 85 21.063 15.707 11.130 1.00 0.00 N ATOM 1233 NH2 ARG B 85 20.505 17.904 11.505 1.00 0.00 N ATOM 0 H ARG B 85 19.867 16.158 4.576 1.00 0.00 H new ATOM 0 HA ARG B 85 20.573 14.059 6.567 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.812 15.082 5.833 1.00 0.00 H new ATOM 0 HB3 ARG B 85 18.241 14.001 7.144 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.081 16.927 6.934 1.00 0.00 H new ATOM 0 HG3 ARG B 85 17.785 16.317 7.943 1.00 0.00 H new ATOM 0 HD2 ARG B 85 19.446 14.864 9.155 1.00 0.00 H new ATOM 0 HD3 ARG B 85 20.731 15.543 8.175 1.00 0.00 H new ATOM 0 HE ARG B 85 19.444 17.775 9.261 1.00 0.00 H new ATOM 0 HH11 ARG B 85 21.046 14.878 10.536 1.00 0.00 H new ATOM 0 HH12 ARG B 85 21.529 15.676 12.037 1.00 0.00 H new ATOM 0 HH21 ARG B 85 20.058 18.769 11.202 1.00 0.00 H new ATOM 0 HH22 ARG B 85 20.974 17.862 12.410 1.00 0.00 H new ATOM 1247 N VAL B 86 20.234 12.315 4.823 1.00 0.00 N ATOM 1248 CA VAL B 86 20.048 11.245 3.853 1.00 0.00 C ATOM 1249 C VAL B 86 20.119 9.893 4.554 1.00 0.00 C ATOM 1250 O VAL B 86 21.150 9.230 4.518 1.00 0.00 O ATOM 1251 CB VAL B 86 21.087 11.341 2.724 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.752 10.333 1.623 1.00 0.00 C ATOM 1253 CG2 VAL B 86 21.120 12.738 2.102 1.00 0.00 C ATOM 0 H VAL B 86 20.881 12.081 5.576 1.00 0.00 H new ATOM 0 HA VAL B 86 19.062 11.349 3.399 1.00 0.00 H new ATOM 0 HB VAL B 86 22.062 11.127 3.162 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.492 10.406 0.826 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.763 9.325 2.037 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.762 10.549 1.221 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.867 12.765 1.308 1.00 0.00 H new ATOM 0 HG22 VAL B 86 20.140 12.975 1.687 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.377 13.471 2.867 1.00 0.00 H new ATOM 1263 N GLU B 87 19.026 9.483 5.194 1.00 0.00 N ATOM 1264 CA GLU B 87 18.980 8.223 5.926 1.00 0.00 C ATOM 1265 C GLU B 87 17.572 7.635 5.905 1.00 0.00 C ATOM 1266 O GLU B 87 16.598 8.348 5.676 1.00 0.00 O ATOM 1267 CB GLU B 87 19.444 8.447 7.369 1.00 0.00 C ATOM 1268 CG GLU B 87 18.521 9.422 8.108 1.00 0.00 C ATOM 1269 CD GLU B 87 18.965 9.641 9.554 1.00 0.00 C ATOM 1270 OE1 GLU B 87 19.912 8.947 9.991 1.00 0.00 O ATOM 1271 OE2 GLU B 87 18.348 10.508 10.212 1.00 0.00 O ATOM 0 H GLU B 87 18.154 10.012 5.219 1.00 0.00 H new ATOM 0 HA GLU B 87 19.649 7.512 5.442 1.00 0.00 H new ATOM 0 HB2 GLU B 87 19.467 7.494 7.897 1.00 0.00 H new ATOM 0 HB3 GLU B 87 20.462 8.836 7.369 1.00 0.00 H new ATOM 0 HG2 GLU B 87 18.507 10.377 7.584 1.00 0.00 H new ATOM 0 HG3 GLU B 87 17.501 9.037 8.096 1.00 0.00 H new ATOM 1278 N PHE B 88 17.469 6.326 6.146 1.00 0.00 N ATOM 1279 CA PHE B 88 16.185 5.643 6.188 1.00 0.00 C ATOM 1280 C PHE B 88 15.363 5.926 7.448 1.00 0.00 C ATOM 1281 O PHE B 88 15.933 6.283 8.481 1.00 0.00 O ATOM 1282 CB PHE B 88 16.359 4.147 5.924 1.00 0.00 C ATOM 1283 CG PHE B 88 17.597 3.555 6.563 1.00 0.00 C ATOM 1284 CD1 PHE B 88 17.557 3.105 7.890 1.00 0.00 C ATOM 1285 CD2 PHE B 88 18.787 3.457 5.826 1.00 0.00 C ATOM 1286 CE1 PHE B 88 18.703 2.558 8.481 1.00 0.00 C ATOM 1287 CE2 PHE B 88 19.933 2.910 6.415 1.00 0.00 C ATOM 1288 CZ PHE B 88 19.891 2.457 7.743 1.00 0.00 C ATOM 0 H PHE B 88 18.270 5.718 6.316 1.00 0.00 H new ATOM 0 HA PHE B 88 15.588 6.065 5.380 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.481 3.617 6.295 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.401 3.980 4.848 1.00 0.00 H new ATOM 0 HD1 PHE B 88 16.641 3.180 8.457 1.00 0.00 H new ATOM 0 HD2 PHE B 88 18.819 3.804 4.804 1.00 0.00 H new ATOM 0 HE1 PHE B 88 18.672 2.214 9.504 1.00 0.00 H new ATOM 0 HE2 PHE B 88 20.849 2.837 5.848 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.774 2.031 8.196 1.00 0.00 H new ATOM 1298 N PRO B 89 14.032 5.769 7.377 1.00 0.00 N ATOM 1299 CA PRO B 89 13.142 5.917 8.515 1.00 0.00 C ATOM 1300 C PRO B 89 13.528 4.981 9.661 1.00 0.00 C ATOM 1301 O PRO B 89 13.500 5.453 10.820 1.00 0.00 O ATOM 1302 CB PRO B 89 11.739 5.595 7.990 1.00 0.00 C ATOM 1303 CG PRO B 89 11.841 5.802 6.480 1.00 0.00 C ATOM 1304 CD PRO B 89 13.294 5.456 6.167 1.00 0.00 C ATOM 0 HA PRO B 89 13.197 6.925 8.926 1.00 0.00 H new ATOM 0 HB2 PRO B 89 11.449 4.572 8.232 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.989 6.252 8.431 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.150 5.156 5.939 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.604 6.828 6.199 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.400 4.404 5.903 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.663 6.035 5.321 1.00 0.00 H new