USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=9 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= -0.548 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -0.937 X(o=-0.94,f=-0.85) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : B 48 LYS NZ :NH3+ -175:sc= 0.504 (180deg=0.478) USER MOD Single : B 49 ASN : amide:sc= -0.0518 K(o=-0.052,f=-1.9!) USER MOD Single : B 72 SER OG : rot -17:sc= 0.12 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 13.205 -1.400 0.098 1.00 0.00 N ATOM 139 CA CYS B 16 14.308 -0.595 -0.417 1.00 0.00 C ATOM 140 C CYS B 16 14.036 0.912 -0.382 1.00 0.00 C ATOM 141 O CYS B 16 14.771 1.675 -1.005 1.00 0.00 O ATOM 142 CB CYS B 16 14.688 -1.078 -1.819 1.00 0.00 C ATOM 143 SG CYS B 16 15.284 -2.784 -1.713 1.00 0.00 S ATOM 0 HA CYS B 16 15.156 -0.740 0.252 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.826 -1.021 -2.483 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.460 -0.435 -2.242 1.00 0.00 H new ATOM 0 HG CYS B 16 15.608 -3.205 -2.900 1.00 0.00 H new ATOM 149 N ARG B 17 12.996 1.355 0.334 1.00 0.00 N ATOM 150 CA ARG B 17 12.721 2.777 0.497 1.00 0.00 C ATOM 151 C ARG B 17 13.577 3.384 1.606 1.00 0.00 C ATOM 152 O ARG B 17 13.858 2.728 2.609 1.00 0.00 O ATOM 153 CB ARG B 17 11.242 3.017 0.798 1.00 0.00 C ATOM 154 CG ARG B 17 10.384 2.899 -0.462 1.00 0.00 C ATOM 155 CD ARG B 17 8.924 3.197 -0.113 1.00 0.00 C ATOM 156 NE ARG B 17 8.440 2.262 0.908 1.00 0.00 N ATOM 157 CZ ARG B 17 7.582 2.576 1.880 1.00 0.00 C ATOM 158 NH1 ARG B 17 7.066 3.799 1.962 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.237 1.658 2.776 1.00 0.00 N ATOM 0 H ARG B 17 12.333 0.743 0.809 1.00 0.00 H new ATOM 0 HA ARG B 17 12.974 3.265 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.900 2.296 1.541 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.115 4.008 1.234 1.00 0.00 H new ATOM 0 HG2 ARG B 17 10.737 3.596 -1.222 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.472 1.897 -0.882 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.832 4.221 0.250 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.307 3.119 -1.008 1.00 0.00 H new ATOM 0 HE ARG B 17 8.784 1.303 0.872 1.00 0.00 H new ATOM 0 HH11 ARG B 17 7.325 4.509 1.277 1.00 0.00 H new ATOM 0 HH12 ARG B 17 6.411 4.027 2.710 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.628 0.718 2.719 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.581 1.894 3.521 1.00 0.00 H new ATOM 173 N ILE B 18 13.981 4.645 1.419 1.00 0.00 N ATOM 174 CA ILE B 18 14.622 5.442 2.458 1.00 0.00 C ATOM 175 C ILE B 18 14.068 6.864 2.413 1.00 0.00 C ATOM 176 O ILE B 18 13.274 7.201 1.535 1.00 0.00 O ATOM 177 CB ILE B 18 16.151 5.444 2.292 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.581 6.256 1.064 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.688 4.015 2.211 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.085 6.524 1.097 1.00 0.00 C ATOM 0 H ILE B 18 13.869 5.140 0.534 1.00 0.00 H new ATOM 0 HA ILE B 18 14.403 5.001 3.430 1.00 0.00 H new ATOM 0 HB ILE B 18 16.579 5.924 3.172 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.322 5.714 0.154 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.038 7.201 1.038 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.771 4.040 2.094 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.434 3.479 3.125 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.242 3.507 1.356 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.371 7.101 0.218 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.335 7.086 1.997 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.623 5.576 1.100 1.00 0.00 H new ATOM 192 N TYR B 19 14.497 7.694 3.367 1.00 0.00 N ATOM 193 CA TYR B 19 14.035 9.071 3.499 1.00 0.00 C ATOM 194 C TYR B 19 15.133 10.123 3.373 1.00 0.00 C ATOM 195 O TYR B 19 16.285 9.882 3.739 1.00 0.00 O ATOM 196 CB TYR B 19 13.174 9.236 4.754 1.00 0.00 C ATOM 197 CG TYR B 19 13.166 10.641 5.333 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.101 11.517 5.079 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.234 11.056 6.146 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.086 12.797 5.657 1.00 0.00 C ATOM 201 CE2 TYR B 19 14.230 12.339 6.713 1.00 0.00 C ATOM 202 CZ TYR B 19 13.156 13.214 6.468 1.00 0.00 C ATOM 203 OH TYR B 19 13.157 14.456 7.027 1.00 0.00 O ATOM 0 H TYR B 19 15.181 7.423 4.074 1.00 0.00 H new ATOM 0 HA TYR B 19 13.401 9.267 2.634 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.150 8.949 4.517 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.530 8.544 5.517 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.290 11.207 4.437 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.060 10.386 6.335 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.253 13.461 5.479 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.052 12.655 7.338 1.00 0.00 H new ATOM 0 HH TYR B 19 13.972 14.575 7.557 1.00 0.00 H new ATOM 213 N VAL B 20 14.761 11.295 2.852 1.00 0.00 N ATOM 214 CA VAL B 20 15.673 12.413 2.674 1.00 0.00 C ATOM 215 C VAL B 20 15.025 13.691 3.196 1.00 0.00 C ATOM 216 O VAL B 20 13.846 13.939 2.943 1.00 0.00 O ATOM 217 CB VAL B 20 16.045 12.557 1.195 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.027 13.714 1.013 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.683 11.276 0.673 1.00 0.00 C ATOM 0 H VAL B 20 13.809 11.490 2.541 1.00 0.00 H new ATOM 0 HA VAL B 20 16.587 12.229 3.239 1.00 0.00 H new ATOM 0 HB VAL B 20 15.132 12.755 0.633 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.286 13.809 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.567 14.640 1.358 1.00 0.00 H new ATOM 0 HG13 VAL B 20 17.930 13.520 1.592 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.939 11.400 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.586 11.061 1.244 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.980 10.450 0.780 1.00 0.00 H new ATOM 229 N GLY B 21 15.802 14.496 3.924 1.00 0.00 N ATOM 230 CA GLY B 21 15.333 15.742 4.505 1.00 0.00 C ATOM 231 C GLY B 21 16.398 16.823 4.400 1.00 0.00 C ATOM 232 O GLY B 21 17.535 16.549 4.008 1.00 0.00 O ATOM 0 H GLY B 21 16.781 14.294 4.125 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.427 16.068 3.995 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.071 15.584 5.551 1.00 0.00 H new ATOM 236 N ASN B 22 16.021 18.055 4.754 1.00 0.00 N ATOM 237 CA ASN B 22 16.865 19.231 4.609 1.00 0.00 C ATOM 238 C ASN B 22 17.313 19.423 3.154 1.00 0.00 C ATOM 239 O ASN B 22 18.295 20.118 2.891 1.00 0.00 O ATOM 240 CB ASN B 22 18.066 19.140 5.555 1.00 0.00 C ATOM 241 CG ASN B 22 18.716 20.503 5.728 1.00 0.00 C ATOM 242 OD1 ASN B 22 18.041 21.488 6.005 1.00 0.00 O ATOM 243 ND2 ASN B 22 20.033 20.566 5.568 1.00 0.00 N ATOM 0 H ASN B 22 15.106 18.260 5.155 1.00 0.00 H new ATOM 0 HA ASN B 22 16.279 20.109 4.882 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.744 18.759 6.524 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.794 18.432 5.160 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.518 21.457 5.675 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.560 19.723 5.338 1.00 0.00 H new ATOM 250 N LEU B 23 16.597 18.807 2.204 1.00 0.00 N ATOM 251 CA LEU B 23 16.909 18.937 0.790 1.00 0.00 C ATOM 252 C LEU B 23 16.779 20.408 0.387 1.00 0.00 C ATOM 253 O LEU B 23 15.767 21.037 0.697 1.00 0.00 O ATOM 254 CB LEU B 23 15.946 18.048 -0.006 1.00 0.00 C ATOM 255 CG LEU B 23 16.296 18.013 -1.494 1.00 0.00 C ATOM 256 CD1 LEU B 23 17.482 17.078 -1.728 1.00 0.00 C ATOM 257 CD2 LEU B 23 15.100 17.486 -2.281 1.00 0.00 C ATOM 0 H LEU B 23 15.793 18.211 2.400 1.00 0.00 H new ATOM 0 HA LEU B 23 17.929 18.616 0.581 1.00 0.00 H new ATOM 0 HB2 LEU B 23 15.971 17.035 0.396 1.00 0.00 H new ATOM 0 HB3 LEU B 23 14.927 18.415 0.118 1.00 0.00 H new ATOM 0 HG LEU B 23 16.551 19.021 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU B 23 17.726 17.058 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU B 23 18.344 17.436 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU B 23 17.224 16.072 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU B 23 15.346 17.460 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU B 23 14.855 16.480 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU B 23 14.243 18.141 -2.123 1.00 0.00 H new ATOM 366 N LYS B 30 14.347 16.639 -13.164 1.00 0.00 N ATOM 367 CA LYS B 30 14.784 15.294 -12.812 1.00 0.00 C ATOM 368 C LYS B 30 16.187 15.285 -12.196 1.00 0.00 C ATOM 369 O LYS B 30 16.805 14.227 -12.110 1.00 0.00 O ATOM 370 CB LYS B 30 14.729 14.400 -14.054 1.00 0.00 C ATOM 371 CG LYS B 30 15.673 14.916 -15.142 1.00 0.00 C ATOM 372 CD LYS B 30 15.594 14.032 -16.386 1.00 0.00 C ATOM 373 CE LYS B 30 16.039 12.604 -16.069 1.00 0.00 C ATOM 374 NZ LYS B 30 16.019 11.758 -17.278 1.00 0.00 N ATOM 0 HA LYS B 30 14.107 14.905 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.002 13.380 -13.785 1.00 0.00 H new ATOM 0 HB3 LYS B 30 13.709 14.367 -14.438 1.00 0.00 H new ATOM 0 HG2 LYS B 30 15.412 15.942 -15.401 1.00 0.00 H new ATOM 0 HG3 LYS B 30 16.696 14.933 -14.766 1.00 0.00 H new ATOM 0 HD2 LYS B 30 14.573 14.023 -16.766 1.00 0.00 H new ATOM 0 HD3 LYS B 30 16.224 14.447 -17.173 1.00 0.00 H new ATOM 0 HE2 LYS B 30 17.045 12.619 -15.649 1.00 0.00 H new ATOM 0 HE3 LYS B 30 15.383 12.176 -15.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 16.325 10.795 -17.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 15.054 11.727 -17.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 16.664 12.156 -17.991 1.00 0.00 H new ATOM 388 N ASP B 31 16.701 16.443 -11.766 1.00 0.00 N ATOM 389 CA ASP B 31 18.027 16.502 -11.158 1.00 0.00 C ATOM 390 C ASP B 31 18.142 15.618 -9.916 1.00 0.00 C ATOM 391 O ASP B 31 19.236 15.179 -9.564 1.00 0.00 O ATOM 392 CB ASP B 31 18.414 17.948 -10.841 1.00 0.00 C ATOM 393 CG ASP B 31 18.703 18.776 -12.096 1.00 0.00 C ATOM 394 OD1 ASP B 31 18.667 18.198 -13.206 1.00 0.00 O ATOM 395 OD2 ASP B 31 18.965 19.989 -11.923 1.00 0.00 O ATOM 0 H ASP B 31 16.222 17.341 -11.828 1.00 0.00 H new ATOM 0 HA ASP B 31 18.731 16.106 -11.890 1.00 0.00 H new ATOM 0 HB2 ASP B 31 17.608 18.419 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.295 17.951 -10.199 1.00 0.00 H new ATOM 400 N ILE B 32 17.013 15.353 -9.251 1.00 0.00 N ATOM 401 CA ILE B 32 16.989 14.516 -8.059 1.00 0.00 C ATOM 402 C ILE B 32 17.113 13.037 -8.439 1.00 0.00 C ATOM 403 O ILE B 32 17.440 12.208 -7.595 1.00 0.00 O ATOM 404 CB ILE B 32 15.697 14.796 -7.273 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.703 14.008 -5.955 1.00 0.00 C ATOM 406 CG2 ILE B 32 14.463 14.419 -8.099 1.00 0.00 C ATOM 407 CD1 ILE B 32 14.601 14.502 -5.015 1.00 0.00 C ATOM 0 H ILE B 32 16.099 15.712 -9.526 1.00 0.00 H new ATOM 0 HA ILE B 32 17.841 14.755 -7.422 1.00 0.00 H new ATOM 0 HB ILE B 32 15.653 15.863 -7.055 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.561 12.947 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE B 32 16.673 14.112 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.562 14.626 -7.522 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.448 15.004 -9.018 1.00 0.00 H new ATOM 0 HG23 ILE B 32 14.500 13.358 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.628 13.927 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE B 32 14.759 15.557 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE B 32 13.630 14.374 -5.494 1.00 0.00 H new ATOM 419 N GLU B 33 16.854 12.705 -9.708 1.00 0.00 N ATOM 420 CA GLU B 33 16.936 11.339 -10.194 1.00 0.00 C ATOM 421 C GLU B 33 18.321 11.081 -10.779 1.00 0.00 C ATOM 422 O GLU B 33 18.813 9.960 -10.721 1.00 0.00 O ATOM 423 CB GLU B 33 15.870 11.106 -11.266 1.00 0.00 C ATOM 424 CG GLU B 33 14.471 11.431 -10.741 1.00 0.00 C ATOM 425 CD GLU B 33 13.397 11.108 -11.777 1.00 0.00 C ATOM 426 OE1 GLU B 33 13.767 10.715 -12.908 1.00 0.00 O ATOM 427 OE2 GLU B 33 12.202 11.260 -11.430 1.00 0.00 O ATOM 0 H GLU B 33 16.582 13.382 -10.421 1.00 0.00 H new ATOM 0 HA GLU B 33 16.765 10.653 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.086 11.725 -12.137 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.904 10.068 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU B 33 14.282 10.863 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU B 33 14.417 12.487 -10.476 1.00 0.00 H new ATOM 434 N ASP B 34 18.951 12.116 -11.342 1.00 0.00 N ATOM 435 CA ASP B 34 20.250 11.980 -11.975 1.00 0.00 C ATOM 436 C ASP B 34 21.385 11.824 -10.970 1.00 0.00 C ATOM 437 O ASP B 34 22.326 11.068 -11.214 1.00 0.00 O ATOM 438 CB ASP B 34 20.506 13.165 -12.913 1.00 0.00 C ATOM 439 CG ASP B 34 19.616 13.128 -14.157 1.00 0.00 C ATOM 440 OD1 ASP B 34 19.689 14.106 -14.934 1.00 0.00 O ATOM 441 OD2 ASP B 34 18.875 12.134 -14.322 1.00 0.00 O ATOM 0 H ASP B 34 18.572 13.062 -11.368 1.00 0.00 H new ATOM 0 HA ASP B 34 20.230 11.059 -12.558 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.333 14.096 -12.373 1.00 0.00 H new ATOM 0 HB3 ASP B 34 21.552 13.164 -13.218 1.00 0.00 H new ATOM 446 N VAL B 35 21.304 12.531 -9.837 1.00 0.00 N ATOM 447 CA VAL B 35 22.321 12.421 -8.803 1.00 0.00 C ATOM 448 C VAL B 35 22.211 11.043 -8.159 1.00 0.00 C ATOM 449 O VAL B 35 23.216 10.360 -7.965 1.00 0.00 O ATOM 450 CB VAL B 35 22.121 13.525 -7.759 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.034 13.304 -6.555 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.440 14.882 -8.385 1.00 0.00 C ATOM 0 H VAL B 35 20.547 13.180 -9.620 1.00 0.00 H new ATOM 0 HA VAL B 35 23.314 12.540 -9.235 1.00 0.00 H new ATOM 0 HB VAL B 35 21.084 13.500 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL B 35 22.875 14.099 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL B 35 22.805 12.342 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.074 13.313 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.298 15.668 -7.643 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.474 14.890 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL B 35 21.776 15.058 -9.231 1.00 0.00 H new ATOM 462 N PHE B 36 20.987 10.621 -7.827 1.00 0.00 N ATOM 463 CA PHE B 36 20.775 9.309 -7.248 1.00 0.00 C ATOM 464 C PHE B 36 21.032 8.163 -8.221 1.00 0.00 C ATOM 465 O PHE B 36 21.523 7.116 -7.821 1.00 0.00 O ATOM 466 CB PHE B 36 19.409 9.220 -6.572 1.00 0.00 C ATOM 467 CG PHE B 36 19.374 9.825 -5.186 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.460 8.998 -4.057 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.260 11.214 -5.025 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.422 9.556 -2.773 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.216 11.771 -3.737 1.00 0.00 C ATOM 472 CZ PHE B 36 19.296 10.941 -2.610 1.00 0.00 C ATOM 0 H PHE B 36 20.138 11.172 -7.952 1.00 0.00 H new ATOM 0 HA PHE B 36 21.531 9.185 -6.473 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.671 9.723 -7.197 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.113 8.173 -6.509 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.556 7.929 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.206 11.855 -5.892 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.490 8.916 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.120 12.840 -3.614 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.261 11.369 -1.619 1.00 0.00 H new ATOM 482 N SER B 37 20.704 8.355 -9.502 1.00 0.00 N ATOM 483 CA SER B 37 20.949 7.329 -10.504 1.00 0.00 C ATOM 484 C SER B 37 22.443 7.025 -10.596 1.00 0.00 C ATOM 485 O SER B 37 22.827 5.885 -10.849 1.00 0.00 O ATOM 486 CB SER B 37 20.406 7.790 -11.855 1.00 0.00 C ATOM 487 OG SER B 37 20.735 6.847 -12.851 1.00 0.00 O ATOM 0 H SER B 37 20.272 9.206 -9.862 1.00 0.00 H new ATOM 0 HA SER B 37 20.434 6.413 -10.214 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.324 7.911 -11.800 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.823 8.764 -12.112 1.00 0.00 H new ATOM 0 HG SER B 37 20.383 7.147 -13.715 1.00 0.00 H new ATOM 493 N LYS B 38 23.288 8.040 -10.386 1.00 0.00 N ATOM 494 CA LYS B 38 24.734 7.863 -10.405 1.00 0.00 C ATOM 495 C LYS B 38 25.209 7.141 -9.142 1.00 0.00 C ATOM 496 O LYS B 38 26.169 6.377 -9.192 1.00 0.00 O ATOM 497 CB LYS B 38 25.401 9.242 -10.538 1.00 0.00 C ATOM 498 CG LYS B 38 26.932 9.144 -10.526 1.00 0.00 C ATOM 499 CD LYS B 38 27.467 8.269 -11.664 1.00 0.00 C ATOM 500 CE LYS B 38 27.010 8.811 -13.017 1.00 0.00 C ATOM 501 NZ LYS B 38 27.548 8.001 -14.126 1.00 0.00 N ATOM 0 H LYS B 38 22.987 8.997 -10.200 1.00 0.00 H new ATOM 0 HA LYS B 38 25.015 7.244 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.075 9.714 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.072 9.884 -9.721 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.359 10.144 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.260 8.735 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.556 8.240 -11.627 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.116 7.245 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS B 38 25.921 8.815 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS B 38 27.337 9.845 -13.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 27.221 8.393 -15.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 28.587 8.018 -14.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 27.215 7.020 -14.033 1.00 0.00 H new ATOM 515 N TYR B 39 24.538 7.381 -8.016 1.00 0.00 N ATOM 516 CA TYR B 39 24.907 6.778 -6.738 1.00 0.00 C ATOM 517 C TYR B 39 24.315 5.402 -6.430 1.00 0.00 C ATOM 518 O TYR B 39 24.783 4.743 -5.499 1.00 0.00 O ATOM 519 CB TYR B 39 24.679 7.762 -5.591 1.00 0.00 C ATOM 520 CG TYR B 39 25.847 8.690 -5.335 1.00 0.00 C ATOM 521 CD1 TYR B 39 25.933 9.927 -5.989 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.846 8.304 -4.429 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.014 10.785 -5.733 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.926 9.154 -4.165 1.00 0.00 C ATOM 525 CZ TYR B 39 28.014 10.402 -4.820 1.00 0.00 C ATOM 526 OH TYR B 39 29.065 11.236 -4.567 1.00 0.00 O ATOM 0 H TYR B 39 23.726 7.997 -7.965 1.00 0.00 H new ATOM 0 HA TYR B 39 25.971 6.566 -6.842 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.794 8.360 -5.809 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.468 7.201 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR B 39 25.166 10.220 -6.691 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.781 7.347 -3.933 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.078 11.738 -6.236 1.00 0.00 H new ATOM 0 HE2 TYR B 39 28.690 8.856 -3.462 1.00 0.00 H new ATOM 0 HH TYR B 39 29.663 10.819 -3.912 1.00 0.00 H new ATOM 536 N GLY B 40 23.301 4.950 -7.175 1.00 0.00 N ATOM 537 CA GLY B 40 22.686 3.666 -6.863 1.00 0.00 C ATOM 538 C GLY B 40 21.588 3.243 -7.837 1.00 0.00 C ATOM 539 O GLY B 40 20.834 2.320 -7.534 1.00 0.00 O ATOM 0 H GLY B 40 22.901 5.441 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.460 2.899 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.266 3.712 -5.858 1.00 0.00 H new ATOM 543 N ALA B 41 21.484 3.901 -8.999 1.00 0.00 N ATOM 544 CA ALA B 41 20.500 3.541 -10.017 1.00 0.00 C ATOM 545 C ALA B 41 19.085 3.449 -9.434 1.00 0.00 C ATOM 546 O ALA B 41 18.322 2.548 -9.782 1.00 0.00 O ATOM 547 CB ALA B 41 20.922 2.243 -10.707 1.00 0.00 C ATOM 0 H ALA B 41 22.076 4.691 -9.255 1.00 0.00 H new ATOM 0 HA ALA B 41 20.468 4.333 -10.765 1.00 0.00 H new ATOM 0 HB1 ALA B 41 20.185 1.978 -11.466 1.00 0.00 H new ATOM 0 HB2 ALA B 41 21.895 2.381 -11.179 1.00 0.00 H new ATOM 0 HB3 ALA B 41 20.987 1.443 -9.969 1.00 0.00 H new ATOM 553 N ILE B 42 18.741 4.385 -8.542 1.00 0.00 N ATOM 554 CA ILE B 42 17.429 4.455 -7.906 1.00 0.00 C ATOM 555 C ILE B 42 16.311 4.238 -8.925 1.00 0.00 C ATOM 556 O ILE B 42 16.368 4.760 -10.040 1.00 0.00 O ATOM 557 CB ILE B 42 17.289 5.816 -7.204 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.944 5.788 -5.820 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.820 6.200 -7.023 1.00 0.00 C ATOM 560 CD1 ILE B 42 19.421 5.404 -5.906 1.00 0.00 C ATOM 0 H ILE B 42 19.377 5.123 -8.241 1.00 0.00 H new ATOM 0 HA ILE B 42 17.342 3.659 -7.166 1.00 0.00 H new ATOM 0 HB ILE B 42 17.786 6.549 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.849 6.767 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE B 42 17.419 5.077 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.756 7.167 -6.524 1.00 0.00 H new ATOM 0 HG22 ILE B 42 15.337 6.262 -7.998 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.319 5.445 -6.418 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.853 5.394 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE B 42 19.514 4.413 -6.351 1.00 0.00 H new ATOM 0 HD13 ILE B 42 19.950 6.130 -6.523 1.00 0.00 H new ATOM 572 N ARG B 43 15.294 3.465 -8.532 1.00 0.00 N ATOM 573 CA ARG B 43 14.171 3.136 -9.404 1.00 0.00 C ATOM 574 C ARG B 43 13.092 4.210 -9.364 1.00 0.00 C ATOM 575 O ARG B 43 12.507 4.521 -10.399 1.00 0.00 O ATOM 576 CB ARG B 43 13.584 1.793 -8.972 1.00 0.00 C ATOM 577 CG ARG B 43 14.546 0.654 -9.311 1.00 0.00 C ATOM 578 CD ARG B 43 14.065 -0.657 -8.682 1.00 0.00 C ATOM 579 NE ARG B 43 12.680 -0.963 -9.066 1.00 0.00 N ATOM 580 CZ ARG B 43 11.639 -0.857 -8.236 1.00 0.00 C ATOM 581 NH1 ARG B 43 11.816 -0.467 -6.979 1.00 0.00 N ATOM 582 NH2 ARG B 43 10.414 -1.140 -8.663 1.00 0.00 N ATOM 0 H ARG B 43 15.229 3.052 -7.601 1.00 0.00 H new ATOM 0 HA ARG B 43 14.536 3.077 -10.429 1.00 0.00 H new ATOM 0 HB2 ARG B 43 13.387 1.804 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.628 1.630 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG B 43 14.618 0.541 -10.393 1.00 0.00 H new ATOM 0 HG3 ARG B 43 15.545 0.894 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG B 43 14.718 -1.472 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG B 43 14.136 -0.588 -7.596 1.00 0.00 H new ATOM 0 HE ARG B 43 12.504 -1.274 -10.021 1.00 0.00 H new ATOM 0 HH11 ARG B 43 12.752 -0.246 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG B 43 11.015 -0.389 -6.352 1.00 0.00 H new ATOM 0 HH21 ARG B 43 10.266 -1.439 -9.627 1.00 0.00 H new ATOM 0 HH22 ARG B 43 9.621 -1.058 -8.027 1.00 0.00 H new ATOM 596 N ASP B 44 12.829 4.770 -8.179 1.00 0.00 N ATOM 597 CA ASP B 44 11.764 5.757 -7.996 1.00 0.00 C ATOM 598 C ASP B 44 12.093 6.848 -6.983 1.00 0.00 C ATOM 599 O ASP B 44 12.965 6.674 -6.133 1.00 0.00 O ATOM 600 CB ASP B 44 10.439 5.066 -7.655 1.00 0.00 C ATOM 601 CG ASP B 44 9.750 4.471 -8.886 1.00 0.00 C ATOM 602 OD1 ASP B 44 9.229 3.342 -8.759 1.00 0.00 O ATOM 603 OD2 ASP B 44 9.749 5.153 -9.938 1.00 0.00 O ATOM 0 H ASP B 44 13.345 4.553 -7.326 1.00 0.00 H new ATOM 0 HA ASP B 44 11.665 6.271 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.623 4.275 -6.928 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.770 5.785 -7.181 1.00 0.00 H new ATOM 608 N ILE B 45 11.378 7.972 -7.084 1.00 0.00 N ATOM 609 CA ILE B 45 11.569 9.129 -6.224 1.00 0.00 C ATOM 610 C ILE B 45 10.197 9.669 -5.818 1.00 0.00 C ATOM 611 O ILE B 45 9.194 9.368 -6.460 1.00 0.00 O ATOM 612 CB ILE B 45 12.384 10.182 -6.992 1.00 0.00 C ATOM 613 CG1 ILE B 45 13.027 11.207 -6.052 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.496 10.926 -7.994 1.00 0.00 C ATOM 615 CD1 ILE B 45 14.153 10.555 -5.260 1.00 0.00 C ATOM 0 H ILE B 45 10.641 8.099 -7.778 1.00 0.00 H new ATOM 0 HA ILE B 45 12.115 8.863 -5.319 1.00 0.00 H new ATOM 0 HB ILE B 45 13.174 9.645 -7.517 1.00 0.00 H new ATOM 0 HG12 ILE B 45 13.416 12.047 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE B 45 12.277 11.608 -5.370 1.00 0.00 H new ATOM 0 HG21 ILE B 45 12.091 11.667 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.077 10.215 -8.707 1.00 0.00 H new ATOM 0 HG23 ILE B 45 10.687 11.426 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.604 11.291 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.753 9.730 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE B 45 14.909 10.176 -5.947 1.00 0.00 H new ATOM 627 N ASP B 46 10.159 10.473 -4.755 1.00 0.00 N ATOM 628 CA ASP B 46 8.925 11.099 -4.311 1.00 0.00 C ATOM 629 C ASP B 46 9.219 12.467 -3.690 1.00 0.00 C ATOM 630 O ASP B 46 9.097 12.643 -2.475 1.00 0.00 O ATOM 631 CB ASP B 46 8.222 10.182 -3.311 1.00 0.00 C ATOM 632 CG ASP B 46 6.862 10.743 -2.911 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.358 11.620 -3.650 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.336 10.291 -1.869 1.00 0.00 O ATOM 0 H ASP B 46 10.975 10.703 -4.187 1.00 0.00 H new ATOM 0 HA ASP B 46 8.267 11.254 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.096 9.192 -3.748 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.844 10.062 -2.424 1.00 0.00 H new ATOM 639 N LEU B 47 9.606 13.435 -4.523 1.00 0.00 N ATOM 640 CA LEU B 47 9.853 14.794 -4.067 1.00 0.00 C ATOM 641 C LEU B 47 8.552 15.410 -3.544 1.00 0.00 C ATOM 642 O LEU B 47 7.545 15.434 -4.253 1.00 0.00 O ATOM 643 CB LEU B 47 10.453 15.599 -5.232 1.00 0.00 C ATOM 644 CG LEU B 47 10.892 17.030 -4.880 1.00 0.00 C ATOM 645 CD1 LEU B 47 9.703 17.980 -4.729 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.729 17.053 -3.603 1.00 0.00 C ATOM 0 H LEU B 47 9.754 13.296 -5.523 1.00 0.00 H new ATOM 0 HA LEU B 47 10.565 14.804 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.315 15.057 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.718 15.649 -6.035 1.00 0.00 H new ATOM 0 HG LEU B 47 11.501 17.378 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU B 47 10.064 18.978 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU B 47 9.147 18.018 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU B 47 9.050 17.622 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU B 47 12.024 18.078 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU B 47 11.141 16.657 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU B 47 12.620 16.440 -3.741 1.00 0.00 H new ATOM 658 N LYS B 48 8.578 15.906 -2.301 1.00 0.00 N ATOM 659 CA LYS B 48 7.424 16.492 -1.648 1.00 0.00 C ATOM 660 C LYS B 48 7.815 17.743 -0.860 1.00 0.00 C ATOM 661 O LYS B 48 8.990 17.973 -0.585 1.00 0.00 O ATOM 662 CB LYS B 48 6.811 15.459 -0.704 1.00 0.00 C ATOM 663 CG LYS B 48 5.731 14.626 -1.394 1.00 0.00 C ATOM 664 CD LYS B 48 5.069 13.725 -0.352 1.00 0.00 C ATOM 665 CE LYS B 48 3.842 13.020 -0.928 1.00 0.00 C ATOM 666 NZ LYS B 48 4.201 12.114 -2.031 1.00 0.00 N ATOM 0 H LYS B 48 9.417 15.907 -1.721 1.00 0.00 H new ATOM 0 HA LYS B 48 6.700 16.784 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.594 14.800 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.382 15.966 0.160 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.989 15.277 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.169 14.025 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.786 12.983 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.777 14.320 0.513 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.344 12.455 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.130 13.764 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.336 11.719 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 4.728 12.641 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.793 11.341 -1.666 1.00 0.00 H new ATOM 680 N ASN B 49 6.815 18.546 -0.493 1.00 0.00 N ATOM 681 CA ASN B 49 7.001 19.660 0.422 1.00 0.00 C ATOM 682 C ASN B 49 5.644 20.027 1.012 1.00 0.00 C ATOM 683 O ASN B 49 4.719 20.380 0.279 1.00 0.00 O ATOM 684 CB ASN B 49 7.605 20.850 -0.330 1.00 0.00 C ATOM 685 CG ASN B 49 8.098 21.917 0.640 1.00 0.00 C ATOM 686 OD1 ASN B 49 7.905 21.811 1.847 1.00 0.00 O ATOM 687 ND2 ASN B 49 8.735 22.958 0.110 1.00 0.00 N ATOM 0 H ASN B 49 5.856 18.438 -0.824 1.00 0.00 H new ATOM 0 HA ASN B 49 7.684 19.385 1.225 1.00 0.00 H new ATOM 0 HB2 ASN B 49 8.432 20.509 -0.952 1.00 0.00 H new ATOM 0 HB3 ASN B 49 6.859 21.279 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN B 49 9.082 23.704 0.713 1.00 0.00 H new ATOM 0 HD22 ASN B 49 8.876 23.010 -0.899 1.00 0.00 H new ATOM 770 N PRO B 55 11.950 21.327 1.011 1.00 0.00 N ATOM 771 CA PRO B 55 11.356 20.080 0.574 1.00 0.00 C ATOM 772 C PRO B 55 11.992 18.877 1.273 1.00 0.00 C ATOM 773 O PRO B 55 12.999 19.003 1.966 1.00 0.00 O ATOM 774 CB PRO B 55 11.596 20.022 -0.937 1.00 0.00 C ATOM 775 CG PRO B 55 12.830 20.898 -1.150 1.00 0.00 C ATOM 776 CD PRO B 55 12.720 21.948 -0.048 1.00 0.00 C ATOM 0 HA PRO B 55 10.295 20.041 0.821 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.769 19.000 -1.275 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.738 20.400 -1.492 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.751 20.321 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.832 21.354 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.706 22.246 0.308 1.00 0.00 H new ATOM 0 HD3 PRO B 55 12.227 22.849 -0.414 1.00 0.00 H new ATOM 784 N PHE B 56 11.386 17.705 1.076 1.00 0.00 N ATOM 785 CA PHE B 56 11.885 16.434 1.585 1.00 0.00 C ATOM 786 C PHE B 56 11.397 15.391 0.582 1.00 0.00 C ATOM 787 O PHE B 56 10.520 15.674 -0.232 1.00 0.00 O ATOM 788 CB PHE B 56 11.280 16.182 2.972 1.00 0.00 C ATOM 789 CG PHE B 56 9.848 15.689 2.966 1.00 0.00 C ATOM 790 CD1 PHE B 56 9.565 14.357 3.308 1.00 0.00 C ATOM 791 CD2 PHE B 56 8.802 16.560 2.629 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.238 13.902 3.341 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.477 16.102 2.637 1.00 0.00 C ATOM 794 CZ PHE B 56 7.195 14.774 2.993 1.00 0.00 C ATOM 0 H PHE B 56 10.518 17.615 0.548 1.00 0.00 H new ATOM 0 HA PHE B 56 12.970 16.408 1.690 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.898 15.451 3.494 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.327 17.107 3.546 1.00 0.00 H new ATOM 0 HD1 PHE B 56 10.372 13.680 3.547 1.00 0.00 H new ATOM 0 HD2 PHE B 56 9.017 17.584 2.363 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.020 12.885 3.633 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.673 16.771 2.369 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.174 14.423 2.999 1.00 0.00 H new ATOM 804 N ALA B 57 11.951 14.178 0.623 1.00 0.00 N ATOM 805 CA ALA B 57 11.615 13.184 -0.382 1.00 0.00 C ATOM 806 C ALA B 57 11.870 11.766 0.113 1.00 0.00 C ATOM 807 O ALA B 57 12.578 11.562 1.098 1.00 0.00 O ATOM 808 CB ALA B 57 12.439 13.450 -1.643 1.00 0.00 C ATOM 0 H ALA B 57 12.620 13.870 1.328 1.00 0.00 H new ATOM 0 HA ALA B 57 10.550 13.267 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.192 12.708 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.212 14.446 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.501 13.386 -1.404 1.00 0.00 H new ATOM 814 N PHE B 58 11.288 10.793 -0.588 1.00 0.00 N ATOM 815 CA PHE B 58 11.574 9.385 -0.371 1.00 0.00 C ATOM 816 C PHE B 58 12.278 8.825 -1.596 1.00 0.00 C ATOM 817 O PHE B 58 12.077 9.311 -2.708 1.00 0.00 O ATOM 818 CB PHE B 58 10.286 8.623 -0.056 1.00 0.00 C ATOM 819 CG PHE B 58 9.595 9.157 1.171 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.154 8.944 2.437 1.00 0.00 C ATOM 821 CD2 PHE B 58 8.402 9.884 1.047 1.00 0.00 C ATOM 822 CE1 PHE B 58 9.541 9.482 3.575 1.00 0.00 C ATOM 823 CE2 PHE B 58 7.812 10.459 2.181 1.00 0.00 C ATOM 824 CZ PHE B 58 8.375 10.252 3.447 1.00 0.00 C ATOM 0 H PHE B 58 10.603 10.966 -1.324 1.00 0.00 H new ATOM 0 HA PHE B 58 12.234 9.268 0.488 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.610 8.687 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.516 7.568 0.089 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.060 8.364 2.536 1.00 0.00 H new ATOM 0 HD2 PHE B 58 7.938 10.001 0.079 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.966 9.304 4.552 1.00 0.00 H new ATOM 0 HE2 PHE B 58 6.922 11.062 2.079 1.00 0.00 H new ATOM 0 HZ PHE B 58 7.913 10.684 4.322 1.00 0.00 H new ATOM 834 N VAL B 59 13.104 7.802 -1.391 1.00 0.00 N ATOM 835 CA VAL B 59 13.910 7.221 -2.447 1.00 0.00 C ATOM 836 C VAL B 59 13.750 5.710 -2.429 1.00 0.00 C ATOM 837 O VAL B 59 13.771 5.109 -1.361 1.00 0.00 O ATOM 838 CB VAL B 59 15.373 7.629 -2.249 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.217 7.123 -3.405 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.506 9.148 -2.142 1.00 0.00 C ATOM 0 H VAL B 59 13.229 7.355 -0.483 1.00 0.00 H new ATOM 0 HA VAL B 59 13.581 7.587 -3.420 1.00 0.00 H new ATOM 0 HB VAL B 59 15.727 7.183 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.255 7.419 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.153 6.036 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.850 7.551 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.554 9.412 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.134 9.611 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.925 9.505 -1.292 1.00 0.00 H new ATOM 850 N GLU B 60 13.591 5.094 -3.604 1.00 0.00 N ATOM 851 CA GLU B 60 13.374 3.658 -3.691 1.00 0.00 C ATOM 852 C GLU B 60 14.475 3.001 -4.517 1.00 0.00 C ATOM 853 O GLU B 60 14.564 3.206 -5.727 1.00 0.00 O ATOM 854 CB GLU B 60 11.984 3.392 -4.266 1.00 0.00 C ATOM 855 CG GLU B 60 11.724 1.890 -4.408 1.00 0.00 C ATOM 856 CD GLU B 60 10.275 1.602 -4.812 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.999 0.423 -5.133 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.466 2.555 -4.798 1.00 0.00 O ATOM 0 H GLU B 60 13.609 5.572 -4.505 1.00 0.00 H new ATOM 0 HA GLU B 60 13.419 3.215 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.228 3.835 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.891 3.874 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.400 1.473 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.945 1.392 -3.464 1.00 0.00 H new ATOM 865 N PHE B 61 15.312 2.206 -3.846 1.00 0.00 N ATOM 866 CA PHE B 61 16.462 1.557 -4.463 1.00 0.00 C ATOM 867 C PHE B 61 16.153 0.276 -5.237 1.00 0.00 C ATOM 868 O PHE B 61 15.124 -0.359 -5.015 1.00 0.00 O ATOM 869 CB PHE B 61 17.559 1.327 -3.424 1.00 0.00 C ATOM 870 CG PHE B 61 18.369 2.561 -3.103 1.00 0.00 C ATOM 871 CD1 PHE B 61 17.828 3.567 -2.282 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.661 2.708 -3.628 1.00 0.00 C ATOM 873 CE1 PHE B 61 18.584 4.707 -1.985 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.412 3.851 -3.333 1.00 0.00 C ATOM 875 CZ PHE B 61 19.878 4.847 -2.506 1.00 0.00 C ATOM 0 H PHE B 61 15.207 1.996 -2.853 1.00 0.00 H new ATOM 0 HA PHE B 61 16.812 2.252 -5.226 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.104 0.955 -2.506 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.230 0.548 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE B 61 16.831 3.460 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE B 61 20.077 1.938 -4.261 1.00 0.00 H new ATOM 0 HE1 PHE B 61 18.170 5.479 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE B 61 21.404 3.965 -3.743 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.463 5.723 -2.269 1.00 0.00 H new ATOM 885 N GLU B 62 17.060 -0.103 -6.146 1.00 0.00 N ATOM 886 CA GLU B 62 17.014 -1.405 -6.803 1.00 0.00 C ATOM 887 C GLU B 62 17.767 -2.436 -5.959 1.00 0.00 C ATOM 888 O GLU B 62 17.472 -3.629 -6.019 1.00 0.00 O ATOM 889 CB GLU B 62 17.646 -1.279 -8.193 1.00 0.00 C ATOM 890 CG GLU B 62 17.654 -2.628 -8.917 1.00 0.00 C ATOM 891 CD GLU B 62 18.155 -2.503 -10.358 1.00 0.00 C ATOM 892 OE1 GLU B 62 18.423 -1.361 -10.791 1.00 0.00 O ATOM 893 OE2 GLU B 62 18.267 -3.564 -11.014 1.00 0.00 O ATOM 0 H GLU B 62 17.840 0.484 -6.442 1.00 0.00 H new ATOM 0 HA GLU B 62 15.981 -1.737 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.092 -0.549 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.666 -0.906 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.288 -3.328 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU B 62 16.647 -3.045 -8.918 1.00 0.00 H new ATOM 900 N ASP B 63 18.737 -1.966 -5.171 1.00 0.00 N ATOM 901 CA ASP B 63 19.561 -2.808 -4.318 1.00 0.00 C ATOM 902 C ASP B 63 20.109 -1.981 -3.151 1.00 0.00 C ATOM 903 O ASP B 63 20.836 -1.013 -3.379 1.00 0.00 O ATOM 904 CB ASP B 63 20.686 -3.417 -5.169 1.00 0.00 C ATOM 905 CG ASP B 63 21.703 -4.217 -4.358 1.00 0.00 C ATOM 906 OD1 ASP B 63 21.464 -4.418 -3.146 1.00 0.00 O ATOM 907 OD2 ASP B 63 22.723 -4.622 -4.962 1.00 0.00 O ATOM 0 H ASP B 63 18.971 -0.975 -5.111 1.00 0.00 H new ATOM 0 HA ASP B 63 18.972 -3.621 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.246 -4.066 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP B 63 21.204 -2.617 -5.697 1.00 0.00 H new ATOM 912 N PRO B 64 19.775 -2.344 -1.905 1.00 0.00 N ATOM 913 CA PRO B 64 20.143 -1.580 -0.726 1.00 0.00 C ATOM 914 C PRO B 64 21.653 -1.603 -0.478 1.00 0.00 C ATOM 915 O PRO B 64 22.147 -0.851 0.360 1.00 0.00 O ATOM 916 CB PRO B 64 19.389 -2.230 0.435 1.00 0.00 C ATOM 917 CG PRO B 64 19.126 -3.658 -0.041 1.00 0.00 C ATOM 918 CD PRO B 64 18.993 -3.514 -1.556 1.00 0.00 C ATOM 0 HA PRO B 64 19.882 -0.529 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.981 -2.218 1.350 1.00 0.00 H new ATOM 0 HB3 PRO B 64 18.459 -1.704 0.650 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.944 -4.327 0.228 1.00 0.00 H new ATOM 0 HG3 PRO B 64 18.219 -4.068 0.404 1.00 0.00 H new ATOM 0 HD2 PRO B 64 19.365 -4.401 -2.068 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.950 -3.390 -1.848 1.00 0.00 H new ATOM 926 N ARG B 65 22.393 -2.457 -1.197 1.00 0.00 N ATOM 927 CA ARG B 65 23.841 -2.524 -1.075 1.00 0.00 C ATOM 928 C ARG B 65 24.485 -1.240 -1.606 1.00 0.00 C ATOM 929 O ARG B 65 25.554 -0.845 -1.146 1.00 0.00 O ATOM 930 CB ARG B 65 24.338 -3.750 -1.846 1.00 0.00 C ATOM 931 CG ARG B 65 25.863 -3.858 -1.813 1.00 0.00 C ATOM 932 CD ARG B 65 26.311 -5.112 -2.569 1.00 0.00 C ATOM 933 NE ARG B 65 25.895 -6.338 -1.873 1.00 0.00 N ATOM 934 CZ ARG B 65 24.874 -7.115 -2.254 1.00 0.00 C ATOM 935 NH1 ARG B 65 24.128 -6.790 -3.307 1.00 0.00 N ATOM 936 NH2 ARG B 65 24.599 -8.223 -1.574 1.00 0.00 N ATOM 0 H ARG B 65 22.001 -3.113 -1.873 1.00 0.00 H new ATOM 0 HA ARG B 65 24.122 -2.618 -0.026 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.900 -4.652 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG B 65 23.999 -3.691 -2.880 1.00 0.00 H new ATOM 0 HG2 ARG B 65 26.309 -2.972 -2.264 1.00 0.00 H new ATOM 0 HG3 ARG B 65 26.211 -3.900 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG B 65 25.890 -5.102 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG B 65 27.396 -5.104 -2.678 1.00 0.00 H new ATOM 0 HE ARG B 65 26.420 -6.615 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG B 65 24.332 -5.941 -3.834 1.00 0.00 H new ATOM 0 HH12 ARG B 65 23.353 -7.390 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG B 65 25.165 -8.479 -0.765 1.00 0.00 H new ATOM 0 HH22 ARG B 65 23.822 -8.818 -1.861 1.00 0.00 H new ATOM 950 N ASP B 66 23.834 -0.591 -2.575 1.00 0.00 N ATOM 951 CA ASP B 66 24.349 0.638 -3.166 1.00 0.00 C ATOM 952 C ASP B 66 24.040 1.866 -2.308 1.00 0.00 C ATOM 953 O ASP B 66 24.643 2.921 -2.499 1.00 0.00 O ATOM 954 CB ASP B 66 23.805 0.810 -4.588 1.00 0.00 C ATOM 955 CG ASP B 66 24.358 -0.239 -5.553 1.00 0.00 C ATOM 956 OD1 ASP B 66 25.212 -1.047 -5.118 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.917 -0.221 -6.724 1.00 0.00 O ATOM 0 H ASP B 66 22.945 -0.902 -2.966 1.00 0.00 H new ATOM 0 HA ASP B 66 25.435 0.552 -3.212 1.00 0.00 H new ATOM 0 HB2 ASP B 66 22.717 0.745 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP B 66 24.058 1.805 -4.953 1.00 0.00 H new ATOM 962 N ALA B 67 23.103 1.735 -1.364 1.00 0.00 N ATOM 963 CA ALA B 67 22.721 2.841 -0.502 1.00 0.00 C ATOM 964 C ALA B 67 23.848 3.181 0.475 1.00 0.00 C ATOM 965 O ALA B 67 23.850 4.256 1.073 1.00 0.00 O ATOM 966 CB ALA B 67 21.447 2.470 0.251 1.00 0.00 C ATOM 0 H ALA B 67 22.598 0.868 -1.183 1.00 0.00 H new ATOM 0 HA ALA B 67 22.535 3.725 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA B 67 21.154 3.295 0.900 1.00 0.00 H new ATOM 0 HB2 ALA B 67 20.648 2.269 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA B 67 21.627 1.580 0.854 1.00 0.00 H new ATOM 972 N GLU B 68 24.809 2.269 0.641 1.00 0.00 N ATOM 973 CA GLU B 68 25.933 2.495 1.535 1.00 0.00 C ATOM 974 C GLU B 68 26.822 3.626 1.008 1.00 0.00 C ATOM 975 O GLU B 68 27.587 4.217 1.769 1.00 0.00 O ATOM 976 CB GLU B 68 26.746 1.203 1.670 1.00 0.00 C ATOM 977 CG GLU B 68 25.905 0.069 2.267 1.00 0.00 C ATOM 978 CD GLU B 68 25.493 0.341 3.717 1.00 0.00 C ATOM 979 OE1 GLU B 68 24.631 -0.417 4.213 1.00 0.00 O ATOM 980 OE2 GLU B 68 26.035 1.297 4.315 1.00 0.00 O ATOM 0 H GLU B 68 24.826 1.367 0.164 1.00 0.00 H new ATOM 0 HA GLU B 68 25.553 2.788 2.514 1.00 0.00 H new ATOM 0 HB2 GLU B 68 27.120 0.903 0.691 1.00 0.00 H new ATOM 0 HB3 GLU B 68 27.616 1.384 2.302 1.00 0.00 H new ATOM 0 HG2 GLU B 68 25.011 -0.074 1.660 1.00 0.00 H new ATOM 0 HG3 GLU B 68 26.472 -0.861 2.223 1.00 0.00 H new ATOM 987 N ASP B 69 26.719 3.925 -0.293 1.00 0.00 N ATOM 988 CA ASP B 69 27.487 4.993 -0.920 1.00 0.00 C ATOM 989 C ASP B 69 26.645 6.234 -1.194 1.00 0.00 C ATOM 990 O ASP B 69 27.147 7.355 -1.133 1.00 0.00 O ATOM 991 CB ASP B 69 28.119 4.479 -2.215 1.00 0.00 C ATOM 992 CG ASP B 69 29.242 3.474 -1.969 1.00 0.00 C ATOM 993 OD1 ASP B 69 29.763 2.947 -2.978 1.00 0.00 O ATOM 994 OD2 ASP B 69 29.574 3.239 -0.786 1.00 0.00 O ATOM 0 H ASP B 69 26.100 3.430 -0.935 1.00 0.00 H new ATOM 0 HA ASP B 69 28.268 5.292 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP B 69 27.349 4.013 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP B 69 28.511 5.323 -2.782 1.00 0.00 H new ATOM 999 N ALA B 70 25.361 6.033 -1.500 1.00 0.00 N ATOM 1000 CA ALA B 70 24.445 7.113 -1.814 1.00 0.00 C ATOM 1001 C ALA B 70 24.085 7.893 -0.555 1.00 0.00 C ATOM 1002 O ALA B 70 23.838 9.096 -0.618 1.00 0.00 O ATOM 1003 CB ALA B 70 23.184 6.519 -2.440 1.00 0.00 C ATOM 0 H ALA B 70 24.933 5.108 -1.535 1.00 0.00 H new ATOM 0 HA ALA B 70 24.920 7.800 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA B 70 22.486 7.320 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA B 70 23.448 5.981 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA B 70 22.717 5.831 -1.735 1.00 0.00 H new ATOM 1009 N VAL B 71 24.056 7.205 0.591 1.00 0.00 N ATOM 1010 CA VAL B 71 23.711 7.837 1.853 1.00 0.00 C ATOM 1011 C VAL B 71 24.959 8.432 2.500 1.00 0.00 C ATOM 1012 O VAL B 71 24.948 9.588 2.918 1.00 0.00 O ATOM 1013 CB VAL B 71 23.054 6.803 2.774 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.761 7.412 4.146 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.741 6.310 2.154 1.00 0.00 C ATOM 0 H VAL B 71 24.269 6.210 0.663 1.00 0.00 H new ATOM 0 HA VAL B 71 23.005 8.648 1.677 1.00 0.00 H new ATOM 0 HB VAL B 71 23.743 5.967 2.894 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.295 6.662 4.785 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.693 7.748 4.601 1.00 0.00 H new ATOM 0 HG13 VAL B 71 22.087 8.261 4.031 1.00 0.00 H new ATOM 0 HG21 VAL B 71 21.280 5.575 2.814 1.00 0.00 H new ATOM 0 HG22 VAL B 71 21.063 7.153 2.019 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.945 5.851 1.187 1.00 0.00 H new ATOM 1025 N SER B 72 26.039 7.651 2.580 1.00 0.00 N ATOM 1026 CA SER B 72 27.255 8.087 3.256 1.00 0.00 C ATOM 1027 C SER B 72 27.928 9.236 2.499 1.00 0.00 C ATOM 1028 O SER B 72 28.800 9.913 3.046 1.00 0.00 O ATOM 1029 CB SER B 72 28.206 6.895 3.385 1.00 0.00 C ATOM 1030 OG SER B 72 29.371 7.275 4.088 1.00 0.00 O ATOM 0 H SER B 72 26.092 6.713 2.183 1.00 0.00 H new ATOM 0 HA SER B 72 26.998 8.459 4.248 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.708 6.078 3.907 1.00 0.00 H new ATOM 0 HB3 SER B 72 28.474 6.525 2.395 1.00 0.00 H new ATOM 0 HG SER B 72 29.445 8.252 4.094 1.00 0.00 H new ATOM 1036 N GLY B 73 27.530 9.462 1.244 1.00 0.00 N ATOM 1037 CA GLY B 73 28.143 10.482 0.406 1.00 0.00 C ATOM 1038 C GLY B 73 27.635 11.889 0.724 1.00 0.00 C ATOM 1039 O GLY B 73 28.246 12.864 0.287 1.00 0.00 O ATOM 0 H GLY B 73 26.779 8.944 0.788 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.225 10.452 0.537 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.942 10.255 -0.641 1.00 0.00 H new ATOM 1043 N ARG B 74 26.532 12.019 1.473 1.00 0.00 N ATOM 1044 CA ARG B 74 25.949 13.338 1.734 1.00 0.00 C ATOM 1045 C ARG B 74 25.064 13.378 2.979 1.00 0.00 C ATOM 1046 O ARG B 74 24.461 14.414 3.259 1.00 0.00 O ATOM 1047 CB ARG B 74 25.170 13.801 0.493 1.00 0.00 C ATOM 1048 CG ARG B 74 24.176 12.739 0.012 1.00 0.00 C ATOM 1049 CD ARG B 74 23.470 13.249 -1.247 1.00 0.00 C ATOM 1050 NE ARG B 74 22.713 12.179 -1.911 1.00 0.00 N ATOM 1051 CZ ARG B 74 23.228 11.378 -2.850 1.00 0.00 C ATOM 1052 NH1 ARG B 74 24.505 11.487 -3.210 1.00 0.00 N ATOM 1053 NH2 ARG B 74 22.464 10.459 -3.434 1.00 0.00 N ATOM 0 H ARG B 74 26.033 11.239 1.902 1.00 0.00 H new ATOM 0 HA ARG B 74 26.772 14.023 1.938 1.00 0.00 H new ATOM 0 HB2 ARG B 74 24.634 14.722 0.724 1.00 0.00 H new ATOM 0 HB3 ARG B 74 25.870 14.032 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG B 74 24.697 11.805 -0.201 1.00 0.00 H new ATOM 0 HG3 ARG B 74 23.446 12.526 0.793 1.00 0.00 H new ATOM 0 HD2 ARG B 74 22.795 14.063 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG B 74 24.207 13.658 -1.938 1.00 0.00 H new ATOM 0 HE ARG B 74 21.740 12.039 -1.640 1.00 0.00 H new ATOM 0 HH11 ARG B 74 25.101 12.187 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG B 74 24.887 10.871 -3.927 1.00 0.00 H new ATOM 0 HH21 ARG B 74 21.484 10.365 -3.166 1.00 0.00 H new ATOM 0 HH22 ARG B 74 22.858 9.849 -4.150 1.00 0.00 H new ATOM 1067 N ASP B 75 24.968 12.283 3.733 1.00 0.00 N ATOM 1068 CA ASP B 75 24.207 12.281 4.975 1.00 0.00 C ATOM 1069 C ASP B 75 24.962 13.058 6.056 1.00 0.00 C ATOM 1070 O ASP B 75 26.191 12.998 6.124 1.00 0.00 O ATOM 1071 CB ASP B 75 23.947 10.843 5.429 1.00 0.00 C ATOM 1072 CG ASP B 75 23.138 10.788 6.723 1.00 0.00 C ATOM 1073 OD1 ASP B 75 23.369 9.832 7.496 1.00 0.00 O ATOM 1074 OD2 ASP B 75 22.303 11.699 6.928 1.00 0.00 O ATOM 0 H ASP B 75 25.407 11.391 3.504 1.00 0.00 H new ATOM 0 HA ASP B 75 23.248 12.769 4.804 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.413 10.306 4.645 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.898 10.331 5.574 1.00 0.00 H new ATOM 1079 N GLY B 76 24.231 13.786 6.908 1.00 0.00 N ATOM 1080 CA GLY B 76 24.821 14.491 8.032 1.00 0.00 C ATOM 1081 C GLY B 76 25.817 15.558 7.571 1.00 0.00 C ATOM 1082 O GLY B 76 26.831 15.777 8.233 1.00 0.00 O ATOM 0 H GLY B 76 23.220 13.897 6.831 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.033 14.959 8.622 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.327 13.778 8.684 1.00 0.00 H new ATOM 1086 N TYR B 77 25.541 16.221 6.442 1.00 0.00 N ATOM 1087 CA TYR B 77 26.485 17.140 5.833 1.00 0.00 C ATOM 1088 C TYR B 77 26.237 18.598 6.194 1.00 0.00 C ATOM 1089 O TYR B 77 25.092 19.049 6.213 1.00 0.00 O ATOM 1090 CB TYR B 77 26.589 16.900 4.326 1.00 0.00 C ATOM 1091 CG TYR B 77 27.302 18.008 3.581 1.00 0.00 C ATOM 1092 CD1 TYR B 77 26.572 18.903 2.779 1.00 0.00 C ATOM 1093 CD2 TYR B 77 28.695 18.140 3.688 1.00 0.00 C ATOM 1094 CE1 TYR B 77 27.233 19.931 2.090 1.00 0.00 C ATOM 1095 CE2 TYR B 77 29.360 19.166 3.005 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.630 20.067 2.205 1.00 0.00 C ATOM 1097 OH TYR B 77 29.281 21.061 1.538 1.00 0.00 O ATOM 0 H TYR B 77 24.661 16.131 5.935 1.00 0.00 H new ATOM 0 HA TYR B 77 27.462 16.920 6.264 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.114 15.961 4.152 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.586 16.785 3.915 1.00 0.00 H new ATOM 0 HD1 TYR B 77 25.500 18.799 2.693 1.00 0.00 H new ATOM 0 HD2 TYR B 77 29.256 17.448 4.299 1.00 0.00 H new ATOM 0 HE1 TYR B 77 26.672 20.617 1.473 1.00 0.00 H new ATOM 0 HE2 TYR B 77 30.432 19.266 3.092 1.00 0.00 H new ATOM 0 HH TYR B 77 30.241 21.010 1.730 1.00 0.00 H new ATOM 1107 N ASP B 78 27.314 19.322 6.477 1.00 0.00 N ATOM 1108 CA ASP B 78 27.257 20.721 6.871 1.00 0.00 C ATOM 1109 C ASP B 78 26.704 21.616 5.761 1.00 0.00 C ATOM 1110 O ASP B 78 27.403 21.921 4.791 1.00 0.00 O ATOM 1111 CB ASP B 78 28.647 21.173 7.336 1.00 0.00 C ATOM 1112 CG ASP B 78 28.743 22.682 7.542 1.00 0.00 C ATOM 1113 OD1 ASP B 78 27.689 23.313 7.785 1.00 0.00 O ATOM 1114 OD2 ASP B 78 29.882 23.193 7.460 1.00 0.00 O ATOM 0 H ASP B 78 28.262 18.947 6.438 1.00 0.00 H new ATOM 0 HA ASP B 78 26.558 20.819 7.701 1.00 0.00 H new ATOM 0 HB2 ASP B 78 28.894 20.668 8.270 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.389 20.864 6.600 1.00 0.00 H new ATOM 1119 N TYR B 79 25.445 22.033 5.908 1.00 0.00 N ATOM 1120 CA TYR B 79 24.765 22.901 4.966 1.00 0.00 C ATOM 1121 C TYR B 79 24.545 24.293 5.557 1.00 0.00 C ATOM 1122 O TYR B 79 24.815 24.522 6.734 1.00 0.00 O ATOM 1123 CB TYR B 79 23.463 22.228 4.526 1.00 0.00 C ATOM 1124 CG TYR B 79 22.571 23.077 3.652 1.00 0.00 C ATOM 1125 CD1 TYR B 79 21.526 23.813 4.228 1.00 0.00 C ATOM 1126 CD2 TYR B 79 22.791 23.132 2.269 1.00 0.00 C ATOM 1127 CE1 TYR B 79 20.685 24.594 3.418 1.00 0.00 C ATOM 1128 CE2 TYR B 79 21.959 23.913 1.452 1.00 0.00 C ATOM 1129 CZ TYR B 79 20.899 24.644 2.026 1.00 0.00 C ATOM 1130 OH TYR B 79 20.088 25.400 1.237 1.00 0.00 O ATOM 0 H TYR B 79 24.865 21.767 6.704 1.00 0.00 H new ATOM 0 HA TYR B 79 25.386 23.051 4.083 1.00 0.00 H new ATOM 0 HB2 TYR B 79 23.708 21.312 3.988 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.904 21.936 5.415 1.00 0.00 H new ATOM 0 HD1 TYR B 79 21.367 23.779 5.296 1.00 0.00 H new ATOM 0 HD2 TYR B 79 23.603 22.572 1.831 1.00 0.00 H new ATOM 0 HE1 TYR B 79 19.876 25.155 3.861 1.00 0.00 H new ATOM 0 HE2 TYR B 79 22.130 23.954 0.386 1.00 0.00 H new ATOM 0 HH TYR B 79 20.375 25.323 0.303 1.00 0.00 H new ATOM 1140 N ASP B 80 24.053 25.230 4.749 1.00 0.00 N ATOM 1141 CA ASP B 80 23.808 26.588 5.185 1.00 0.00 C ATOM 1142 C ASP B 80 22.806 26.652 6.342 1.00 0.00 C ATOM 1143 O ASP B 80 21.596 26.599 6.131 1.00 0.00 O ATOM 1144 CB ASP B 80 23.340 27.424 3.992 1.00 0.00 C ATOM 1145 CG ASP B 80 24.444 27.652 2.960 1.00 0.00 C ATOM 1146 OD1 ASP B 80 24.126 28.262 1.916 1.00 0.00 O ATOM 1147 OD2 ASP B 80 25.591 27.218 3.216 1.00 0.00 O ATOM 0 H ASP B 80 23.815 25.060 3.772 1.00 0.00 H new ATOM 0 HA ASP B 80 24.741 27.001 5.569 1.00 0.00 H new ATOM 0 HB2 ASP B 80 22.498 26.925 3.512 1.00 0.00 H new ATOM 0 HB3 ASP B 80 22.978 28.388 4.349 1.00 0.00 H new ATOM 1152 N GLY B 81 23.320 26.768 7.571 1.00 0.00 N ATOM 1153 CA GLY B 81 22.503 26.892 8.772 1.00 0.00 C ATOM 1154 C GLY B 81 21.887 25.563 9.214 1.00 0.00 C ATOM 1155 O GLY B 81 21.265 25.503 10.272 1.00 0.00 O ATOM 0 H GLY B 81 24.323 26.778 7.756 1.00 0.00 H new ATOM 0 HA2 GLY B 81 23.115 27.290 9.582 1.00 0.00 H new ATOM 0 HA3 GLY B 81 21.706 27.613 8.590 1.00 0.00 H new ATOM 1159 N TYR B 82 22.052 24.500 8.419 1.00 0.00 N ATOM 1160 CA TYR B 82 21.462 23.195 8.710 1.00 0.00 C ATOM 1161 C TYR B 82 22.395 22.024 8.395 1.00 0.00 C ATOM 1162 O TYR B 82 23.581 22.217 8.130 1.00 0.00 O ATOM 1163 CB TYR B 82 20.111 23.062 7.995 1.00 0.00 C ATOM 1164 CG TYR B 82 19.034 23.968 8.550 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.114 23.475 9.490 1.00 0.00 C ATOM 1166 CD2 TYR B 82 18.958 25.298 8.119 1.00 0.00 C ATOM 1167 CE1 TYR B 82 17.116 24.318 9.997 1.00 0.00 C ATOM 1168 CE2 TYR B 82 17.960 26.147 8.619 1.00 0.00 C ATOM 1169 CZ TYR B 82 17.034 25.657 9.562 1.00 0.00 C ATOM 1170 OH TYR B 82 16.062 26.476 10.050 1.00 0.00 O ATOM 0 H TYR B 82 22.598 24.523 7.558 1.00 0.00 H new ATOM 0 HA TYR B 82 21.298 23.144 9.786 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.248 23.282 6.936 1.00 0.00 H new ATOM 0 HB3 TYR B 82 19.774 22.028 8.065 1.00 0.00 H new ATOM 0 HD1 TYR B 82 18.176 22.449 9.821 1.00 0.00 H new ATOM 0 HD2 TYR B 82 19.671 25.672 7.399 1.00 0.00 H new ATOM 0 HE1 TYR B 82 16.409 23.942 10.722 1.00 0.00 H new ATOM 0 HE2 TYR B 82 17.901 27.172 8.283 1.00 0.00 H new ATOM 0 HH TYR B 82 16.150 27.365 9.646 1.00 0.00 H new ATOM 1180 N ARG B 83 21.850 20.804 8.426 1.00 0.00 N ATOM 1181 CA ARG B 83 22.598 19.580 8.173 1.00 0.00 C ATOM 1182 C ARG B 83 21.704 18.597 7.427 1.00 0.00 C ATOM 1183 O ARG B 83 20.548 18.400 7.801 1.00 0.00 O ATOM 1184 CB ARG B 83 23.081 19.017 9.511 1.00 0.00 C ATOM 1185 CG ARG B 83 23.853 17.712 9.305 1.00 0.00 C ATOM 1186 CD ARG B 83 24.413 17.205 10.636 1.00 0.00 C ATOM 1187 NE ARG B 83 23.337 16.882 11.582 1.00 0.00 N ATOM 1188 CZ ARG B 83 23.147 17.497 12.752 1.00 0.00 C ATOM 1189 NH1 ARG B 83 23.958 18.476 13.149 1.00 0.00 N ATOM 1190 NH2 ARG B 83 22.137 17.133 13.535 1.00 0.00 N ATOM 0 H ARG B 83 20.864 20.642 8.631 1.00 0.00 H new ATOM 0 HA ARG B 83 23.472 19.772 7.551 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.719 19.747 10.009 1.00 0.00 H new ATOM 0 HB3 ARG B 83 22.228 18.840 10.166 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.196 16.959 8.869 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.667 17.872 8.598 1.00 0.00 H new ATOM 0 HD2 ARG B 83 25.024 16.319 10.462 1.00 0.00 H new ATOM 0 HD3 ARG B 83 25.066 17.962 11.070 1.00 0.00 H new ATOM 0 HE ARG B 83 22.690 16.136 11.328 1.00 0.00 H new ATOM 0 HH11 ARG B 83 24.736 18.765 12.557 1.00 0.00 H new ATOM 0 HH12 ARG B 83 23.801 18.937 14.045 1.00 0.00 H new ATOM 0 HH21 ARG B 83 21.508 16.385 13.242 1.00 0.00 H new ATOM 0 HH22 ARG B 83 21.990 17.602 14.429 1.00 0.00 H new ATOM 1204 N LEU B 84 22.242 17.980 6.373 1.00 0.00 N ATOM 1205 CA LEU B 84 21.493 17.039 5.547 1.00 0.00 C ATOM 1206 C LEU B 84 21.064 15.834 6.379 1.00 0.00 C ATOM 1207 O LEU B 84 21.767 15.432 7.303 1.00 0.00 O ATOM 1208 CB LEU B 84 22.350 16.580 4.358 1.00 0.00 C ATOM 1209 CG LEU B 84 22.338 17.551 3.169 1.00 0.00 C ATOM 1210 CD1 LEU B 84 20.943 17.634 2.553 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.792 18.951 3.577 1.00 0.00 C ATOM 0 H LEU B 84 23.206 18.120 6.071 1.00 0.00 H new ATOM 0 HA LEU B 84 20.602 17.539 5.167 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.378 16.446 4.694 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.995 15.606 4.022 1.00 0.00 H new ATOM 0 HG LEU B 84 23.040 17.160 2.432 1.00 0.00 H new ATOM 0 HD11 LEU B 84 20.957 18.328 1.712 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.640 16.647 2.204 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.235 17.987 3.303 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.770 19.608 2.708 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.123 19.341 4.344 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.807 18.904 3.970 1.00 0.00 H new ATOM 1223 N ARG B 85 19.906 15.256 6.042 1.00 0.00 N ATOM 1224 CA ARG B 85 19.386 14.082 6.722 1.00 0.00 C ATOM 1225 C ARG B 85 18.978 13.039 5.699 1.00 0.00 C ATOM 1226 O ARG B 85 18.041 13.245 4.933 1.00 0.00 O ATOM 1227 CB ARG B 85 18.223 14.516 7.616 1.00 0.00 C ATOM 1228 CG ARG B 85 17.639 13.340 8.391 1.00 0.00 C ATOM 1229 CD ARG B 85 16.551 13.881 9.319 1.00 0.00 C ATOM 1230 NE ARG B 85 15.871 12.804 10.041 1.00 0.00 N ATOM 1231 CZ ARG B 85 14.598 12.865 10.439 1.00 0.00 C ATOM 1232 NH1 ARG B 85 13.857 13.942 10.182 1.00 0.00 N ATOM 1233 NH2 ARG B 85 14.067 11.843 11.099 1.00 0.00 N ATOM 0 H ARG B 85 19.308 15.595 5.288 1.00 0.00 H new ATOM 0 HA ARG B 85 20.147 13.624 7.354 1.00 0.00 H new ATOM 0 HB2 ARG B 85 18.566 15.278 8.315 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.444 14.972 7.005 1.00 0.00 H new ATOM 0 HG2 ARG B 85 17.223 12.601 7.706 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.417 12.839 8.967 1.00 0.00 H new ATOM 0 HD2 ARG B 85 16.994 14.575 10.033 1.00 0.00 H new ATOM 0 HD3 ARG B 85 15.823 14.445 8.736 1.00 0.00 H new ATOM 0 HE ARG B 85 16.400 11.958 10.252 1.00 0.00 H new ATOM 0 HH11 ARG B 85 14.261 14.730 9.677 1.00 0.00 H new ATOM 0 HH12 ARG B 85 12.885 13.978 10.491 1.00 0.00 H new ATOM 0 HH21 ARG B 85 14.631 11.017 11.299 1.00 0.00 H new ATOM 0 HH22 ARG B 85 13.095 11.884 11.406 1.00 0.00 H new ATOM 1247 N VAL B 86 19.694 11.914 5.695 1.00 0.00 N ATOM 1248 CA VAL B 86 19.416 10.809 4.797 1.00 0.00 C ATOM 1249 C VAL B 86 19.403 9.505 5.580 1.00 0.00 C ATOM 1250 O VAL B 86 20.439 8.871 5.771 1.00 0.00 O ATOM 1251 CB VAL B 86 20.440 10.774 3.657 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.046 9.691 2.653 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.509 12.120 2.937 1.00 0.00 C ATOM 0 H VAL B 86 20.484 11.750 6.319 1.00 0.00 H new ATOM 0 HA VAL B 86 18.433 10.946 4.347 1.00 0.00 H new ATOM 0 HB VAL B 86 21.419 10.557 4.084 1.00 0.00 H new ATOM 0 HG11 VAL B 86 20.773 9.665 1.842 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.025 8.722 3.152 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.059 9.912 2.248 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.243 12.066 2.133 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.531 12.360 2.519 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.802 12.896 3.644 1.00 0.00 H new ATOM 1263 N GLU B 87 18.214 9.116 6.032 1.00 0.00 N ATOM 1264 CA GLU B 87 18.027 7.878 6.779 1.00 0.00 C ATOM 1265 C GLU B 87 16.676 7.248 6.450 1.00 0.00 C ATOM 1266 O GLU B 87 15.771 7.921 5.969 1.00 0.00 O ATOM 1267 CB GLU B 87 18.159 8.154 8.281 1.00 0.00 C ATOM 1268 CG GLU B 87 17.039 9.077 8.772 1.00 0.00 C ATOM 1269 CD GLU B 87 17.145 9.348 10.271 1.00 0.00 C ATOM 1270 OE1 GLU B 87 18.061 8.780 10.908 1.00 0.00 O ATOM 1271 OE2 GLU B 87 16.301 10.127 10.770 1.00 0.00 O ATOM 0 H GLU B 87 17.356 9.649 5.891 1.00 0.00 H new ATOM 0 HA GLU B 87 18.800 7.167 6.488 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.127 7.214 8.831 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.127 8.611 8.486 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.081 10.021 8.228 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.072 8.625 8.552 1.00 0.00 H new ATOM 1278 N PHE B 88 16.543 5.945 6.712 1.00 0.00 N ATOM 1279 CA PHE B 88 15.316 5.213 6.440 1.00 0.00 C ATOM 1280 C PHE B 88 14.168 5.500 7.409 1.00 0.00 C ATOM 1281 O PHE B 88 14.408 5.877 8.557 1.00 0.00 O ATOM 1282 CB PHE B 88 15.606 3.714 6.304 1.00 0.00 C ATOM 1283 CG PHE B 88 16.641 3.199 7.282 1.00 0.00 C ATOM 1284 CD1 PHE B 88 17.998 3.199 6.929 1.00 0.00 C ATOM 1285 CD2 PHE B 88 16.245 2.728 8.540 1.00 0.00 C ATOM 1286 CE1 PHE B 88 18.959 2.727 7.837 1.00 0.00 C ATOM 1287 CE2 PHE B 88 17.205 2.256 9.450 1.00 0.00 C ATOM 1288 CZ PHE B 88 18.563 2.258 9.097 1.00 0.00 C ATOM 0 H PHE B 88 17.285 5.374 7.118 1.00 0.00 H new ATOM 0 HA PHE B 88 14.948 5.588 5.485 1.00 0.00 H new ATOM 0 HB2 PHE B 88 14.678 3.160 6.446 1.00 0.00 H new ATOM 0 HB3 PHE B 88 15.946 3.510 5.289 1.00 0.00 H new ATOM 0 HD1 PHE B 88 18.304 3.562 5.959 1.00 0.00 H new ATOM 0 HD2 PHE B 88 15.200 2.728 8.811 1.00 0.00 H new ATOM 0 HE1 PHE B 88 20.004 2.725 7.564 1.00 0.00 H new ATOM 0 HE2 PHE B 88 16.899 1.892 10.420 1.00 0.00 H new ATOM 0 HZ PHE B 88 19.303 1.898 9.796 1.00 0.00 H new ATOM 1298 N PRO B 89 12.914 5.326 6.955 1.00 0.00 N ATOM 1299 CA PRO B 89 11.727 5.476 7.777 1.00 0.00 C ATOM 1300 C PRO B 89 11.661 4.375 8.839 1.00 0.00 C ATOM 1301 O PRO B 89 12.022 3.226 8.503 1.00 0.00 O ATOM 1302 CB PRO B 89 10.543 5.398 6.814 1.00 0.00 C ATOM 1303 CG PRO B 89 11.078 4.609 5.622 1.00 0.00 C ATOM 1304 CD PRO B 89 12.568 4.961 5.597 1.00 0.00 C ATOM 0 HA PRO B 89 11.727 6.421 8.321 1.00 0.00 H new ATOM 0 HB2 PRO B 89 9.690 4.897 7.272 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.207 6.391 6.515 1.00 0.00 H new ATOM 0 HG2 PRO B 89 10.921 3.538 5.747 1.00 0.00 H new ATOM 0 HG3 PRO B 89 10.582 4.897 4.695 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.164 4.114 5.257 1.00 0.00 H new ATOM 0 HD3 PRO B 89 12.763 5.784 4.910 1.00 0.00 H new