USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 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= -0.0127 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -0.966 X(o=-0.97,f=-1) USER MOD Single : B 30 LYS NZ :NH3+ -171:sc=-0.00586 (180deg=-0.124) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 167:sc= -0.0235 (180deg=-0.239) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -165:sc= 0.819 (180deg=0.487) USER MOD Single : B 49 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.1) 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 13.036 -0.956 0.430 1.00 0.00 N ATOM 139 CA CYS B 16 14.161 -0.538 -0.398 1.00 0.00 C ATOM 140 C CYS B 16 14.155 0.978 -0.587 1.00 0.00 C ATOM 141 O CYS B 16 14.913 1.507 -1.400 1.00 0.00 O ATOM 142 CB CYS B 16 14.100 -1.255 -1.749 1.00 0.00 C ATOM 143 SG CYS B 16 14.245 -3.047 -1.494 1.00 0.00 S ATOM 0 HA CYS B 16 15.091 -0.809 0.102 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.161 -1.024 -2.253 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.904 -0.903 -2.396 1.00 0.00 H new ATOM 0 HG CYS B 16 14.191 -3.654 -2.642 1.00 0.00 H new ATOM 149 N ARG B 17 13.295 1.676 0.161 1.00 0.00 N ATOM 150 CA ARG B 17 13.133 3.113 0.057 1.00 0.00 C ATOM 151 C ARG B 17 13.838 3.819 1.209 1.00 0.00 C ATOM 152 O ARG B 17 13.932 3.279 2.310 1.00 0.00 O ATOM 153 CB ARG B 17 11.637 3.420 0.014 1.00 0.00 C ATOM 154 CG ARG B 17 11.414 4.893 -0.306 1.00 0.00 C ATOM 155 CD ARG B 17 9.984 5.121 -0.795 1.00 0.00 C ATOM 156 NE ARG B 17 8.993 4.808 0.242 1.00 0.00 N ATOM 157 CZ ARG B 17 8.059 3.859 0.129 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.010 3.074 -0.944 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.167 3.697 1.098 1.00 0.00 N ATOM 0 H ARG B 17 12.690 1.246 0.860 1.00 0.00 H new ATOM 0 HA ARG B 17 13.596 3.487 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.152 2.799 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.180 3.175 0.973 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.602 5.497 0.581 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.122 5.217 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.868 6.159 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.798 4.503 -1.673 1.00 0.00 H new ATOM 0 HE ARG B 17 9.019 5.351 1.105 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.691 3.192 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.291 2.354 -1.017 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.197 4.295 1.924 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.452 2.974 1.017 1.00 0.00 H new ATOM 173 N ILE B 18 14.329 5.034 0.947 1.00 0.00 N ATOM 174 CA ILE B 18 15.035 5.842 1.935 1.00 0.00 C ATOM 175 C ILE B 18 14.473 7.260 1.941 1.00 0.00 C ATOM 176 O ILE B 18 13.565 7.582 1.176 1.00 0.00 O ATOM 177 CB ILE B 18 16.540 5.850 1.640 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.860 6.702 0.403 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.052 4.421 1.460 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.374 6.852 0.218 1.00 0.00 C ATOM 0 H ILE B 18 14.245 5.484 0.036 1.00 0.00 H new ATOM 0 HA ILE B 18 14.888 5.407 2.924 1.00 0.00 H new ATOM 0 HB ILE B 18 17.051 6.299 2.492 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.425 6.240 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.403 7.686 0.506 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.122 4.441 1.251 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.871 3.852 2.372 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.529 3.949 0.628 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.574 7.459 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.802 7.336 1.096 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.824 5.868 0.091 1.00 0.00 H new ATOM 192 N TYR B 19 15.026 8.101 2.818 1.00 0.00 N ATOM 193 CA TYR B 19 14.568 9.463 3.037 1.00 0.00 C ATOM 194 C TYR B 19 15.611 10.530 2.733 1.00 0.00 C ATOM 195 O TYR B 19 16.812 10.259 2.754 1.00 0.00 O ATOM 196 CB TYR B 19 13.935 9.594 4.429 1.00 0.00 C ATOM 197 CG TYR B 19 13.993 10.982 5.036 1.00 0.00 C ATOM 198 CD1 TYR B 19 15.169 11.408 5.673 1.00 0.00 C ATOM 199 CD2 TYR B 19 12.878 11.834 4.976 1.00 0.00 C ATOM 200 CE1 TYR B 19 15.233 12.677 6.262 1.00 0.00 C ATOM 201 CE2 TYR B 19 12.936 13.104 5.573 1.00 0.00 C ATOM 202 CZ TYR B 19 14.115 13.531 6.208 1.00 0.00 C ATOM 203 OH TYR B 19 14.178 14.766 6.779 1.00 0.00 O ATOM 0 H TYR B 19 15.820 7.843 3.404 1.00 0.00 H new ATOM 0 HA TYR B 19 13.790 9.663 2.300 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.891 9.285 4.367 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.433 8.898 5.104 1.00 0.00 H new ATOM 0 HD1 TYR B 19 16.028 10.754 5.709 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.978 11.513 4.472 1.00 0.00 H new ATOM 0 HE1 TYR B 19 16.137 13.000 6.756 1.00 0.00 H new ATOM 0 HE2 TYR B 19 12.074 13.753 5.544 1.00 0.00 H new ATOM 0 HH TYR B 19 13.324 15.229 6.652 1.00 0.00 H new ATOM 213 N VAL B 20 15.149 11.752 2.450 1.00 0.00 N ATOM 214 CA VAL B 20 16.017 12.864 2.110 1.00 0.00 C ATOM 215 C VAL B 20 15.606 14.120 2.869 1.00 0.00 C ATOM 216 O VAL B 20 14.459 14.557 2.776 1.00 0.00 O ATOM 217 CB VAL B 20 16.004 13.096 0.594 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.115 14.066 0.200 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.189 11.785 -0.170 1.00 0.00 C ATOM 0 H VAL B 20 14.157 11.990 2.453 1.00 0.00 H new ATOM 0 HA VAL B 20 17.037 12.621 2.408 1.00 0.00 H new ATOM 0 HB VAL B 20 15.034 13.519 0.333 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.096 14.223 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.963 15.018 0.708 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.080 13.650 0.489 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.175 11.983 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.144 11.336 0.104 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.380 11.099 0.083 1.00 0.00 H new ATOM 229 N GLY B 21 16.545 14.707 3.618 1.00 0.00 N ATOM 230 CA GLY B 21 16.275 15.886 4.427 1.00 0.00 C ATOM 231 C GLY B 21 17.313 16.985 4.189 1.00 0.00 C ATOM 232 O GLY B 21 18.359 16.742 3.589 1.00 0.00 O ATOM 0 H GLY B 21 17.508 14.375 3.676 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.281 16.268 4.194 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.272 15.611 5.482 1.00 0.00 H new ATOM 236 N ASN B 22 16.998 18.194 4.668 1.00 0.00 N ATOM 237 CA ASN B 22 17.802 19.395 4.480 1.00 0.00 C ATOM 238 C ASN B 22 17.899 19.788 3.003 1.00 0.00 C ATOM 239 O ASN B 22 18.885 20.389 2.587 1.00 0.00 O ATOM 240 CB ASN B 22 19.178 19.216 5.130 1.00 0.00 C ATOM 241 CG ASN B 22 19.928 20.539 5.207 1.00 0.00 C ATOM 242 OD1 ASN B 22 19.376 21.545 5.643 1.00 0.00 O ATOM 243 ND2 ASN B 22 21.189 20.542 4.783 1.00 0.00 N ATOM 0 H ASN B 22 16.152 18.363 5.212 1.00 0.00 H new ATOM 0 HA ASN B 22 17.304 20.226 4.980 1.00 0.00 H new ATOM 0 HB2 ASN B 22 19.059 18.804 6.132 1.00 0.00 H new ATOM 0 HB3 ASN B 22 19.763 18.496 4.557 1.00 0.00 H new ATOM 0 HD21 ASN B 22 21.735 21.403 4.813 1.00 0.00 H new ATOM 0 HD22 ASN B 22 21.610 19.683 4.428 1.00 0.00 H new ATOM 250 N LEU B 23 16.881 19.450 2.206 1.00 0.00 N ATOM 251 CA LEU B 23 16.830 19.871 0.815 1.00 0.00 C ATOM 252 C LEU B 23 16.598 21.384 0.741 1.00 0.00 C ATOM 253 O LEU B 23 15.855 21.931 1.557 1.00 0.00 O ATOM 254 CB LEU B 23 15.704 19.132 0.087 1.00 0.00 C ATOM 255 CG LEU B 23 16.033 17.648 -0.098 1.00 0.00 C ATOM 256 CD1 LEU B 23 14.801 16.923 -0.639 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.186 17.474 -1.084 1.00 0.00 C ATOM 0 H LEU B 23 16.085 18.887 2.506 1.00 0.00 H new ATOM 0 HA LEU B 23 17.778 19.632 0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.777 19.232 0.652 1.00 0.00 H new ATOM 0 HB3 LEU B 23 15.535 19.592 -0.887 1.00 0.00 H new ATOM 0 HG LEU B 23 16.325 17.230 0.866 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.030 15.866 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU B 23 13.977 17.029 0.067 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.516 17.356 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.406 16.413 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU B 23 16.907 17.897 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.070 17.987 -0.705 1.00 0.00 H new ATOM 366 N LYS B 30 14.293 16.686 -10.749 1.00 0.00 N ATOM 367 CA LYS B 30 15.348 16.305 -11.675 1.00 0.00 C ATOM 368 C LYS B 30 16.706 16.266 -10.964 1.00 0.00 C ATOM 369 O LYS B 30 17.584 15.491 -11.339 1.00 0.00 O ATOM 370 CB LYS B 30 15.367 17.288 -12.852 1.00 0.00 C ATOM 371 CG LYS B 30 16.526 17.000 -13.816 1.00 0.00 C ATOM 372 CD LYS B 30 16.398 15.600 -14.429 1.00 0.00 C ATOM 373 CE LYS B 30 17.662 15.247 -15.205 1.00 0.00 C ATOM 374 NZ LYS B 30 17.895 16.185 -16.325 1.00 0.00 N ATOM 0 HA LYS B 30 15.151 15.303 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS B 30 14.422 17.227 -13.392 1.00 0.00 H new ATOM 0 HB3 LYS B 30 15.453 18.307 -12.474 1.00 0.00 H new ATOM 0 HG2 LYS B 30 16.538 17.748 -14.609 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.474 17.083 -13.285 1.00 0.00 H new ATOM 0 HD2 LYS B 30 16.228 14.865 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS B 30 15.533 15.563 -15.092 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.519 15.264 -14.532 1.00 0.00 H new ATOM 0 HE3 LYS B 30 17.580 14.231 -15.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 18.671 15.830 -16.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 17.030 16.265 -16.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.149 17.120 -15.947 1.00 0.00 H new ATOM 388 N ASP B 31 16.878 17.099 -9.933 1.00 0.00 N ATOM 389 CA ASP B 31 18.140 17.163 -9.208 1.00 0.00 C ATOM 390 C ASP B 31 18.329 15.838 -8.470 1.00 0.00 C ATOM 391 O ASP B 31 19.457 15.392 -8.262 1.00 0.00 O ATOM 392 CB ASP B 31 18.071 18.322 -8.215 1.00 0.00 C ATOM 393 CG ASP B 31 19.440 18.648 -7.611 1.00 0.00 C ATOM 394 OD1 ASP B 31 19.452 19.351 -6.576 1.00 0.00 O ATOM 395 OD2 ASP B 31 20.456 18.197 -8.182 1.00 0.00 O ATOM 0 H ASP B 31 16.159 17.734 -9.587 1.00 0.00 H new ATOM 0 HA ASP B 31 18.979 17.325 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP B 31 17.678 19.206 -8.717 1.00 0.00 H new ATOM 0 HB3 ASP B 31 17.373 18.072 -7.416 1.00 0.00 H new ATOM 400 N ILE B 32 17.221 15.204 -8.076 1.00 0.00 N ATOM 401 CA ILE B 32 17.263 13.922 -7.394 1.00 0.00 C ATOM 402 C ILE B 32 17.581 12.808 -8.391 1.00 0.00 C ATOM 403 O ILE B 32 18.234 11.831 -8.034 1.00 0.00 O ATOM 404 CB ILE B 32 15.920 13.684 -6.692 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.680 14.803 -5.668 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.917 12.320 -5.989 1.00 0.00 C ATOM 407 CD1 ILE B 32 14.341 14.636 -4.953 1.00 0.00 C ATOM 0 H ILE B 32 16.279 15.568 -8.223 1.00 0.00 H new ATOM 0 HA ILE B 32 18.052 13.924 -6.642 1.00 0.00 H new ATOM 0 HB ILE B 32 15.122 13.690 -7.434 1.00 0.00 H new ATOM 0 HG12 ILE B 32 16.486 14.804 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.706 15.769 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.957 12.167 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE B 32 16.077 11.531 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE B 32 16.715 12.291 -5.247 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.207 15.447 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE B 32 13.533 14.661 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE B 32 14.326 13.681 -4.427 1.00 0.00 H new ATOM 419 N GLU B 33 17.123 12.945 -9.638 1.00 0.00 N ATOM 420 CA GLU B 33 17.337 11.935 -10.664 1.00 0.00 C ATOM 421 C GLU B 33 18.774 11.972 -11.176 1.00 0.00 C ATOM 422 O GLU B 33 19.218 11.027 -11.823 1.00 0.00 O ATOM 423 CB GLU B 33 16.348 12.152 -11.808 1.00 0.00 C ATOM 424 CG GLU B 33 14.923 11.827 -11.349 1.00 0.00 C ATOM 425 CD GLU B 33 13.898 12.088 -12.455 1.00 0.00 C ATOM 426 OE1 GLU B 33 12.715 11.743 -12.230 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.301 12.627 -13.511 1.00 0.00 O ATOM 0 H GLU B 33 16.596 13.757 -9.959 1.00 0.00 H new ATOM 0 HA GLU B 33 17.168 10.950 -10.229 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.400 13.185 -12.151 1.00 0.00 H new ATOM 0 HB3 GLU B 33 16.617 11.521 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU B 33 14.869 10.782 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU B 33 14.676 12.429 -10.475 1.00 0.00 H new ATOM 434 N ASP B 34 19.506 13.054 -10.892 1.00 0.00 N ATOM 435 CA ASP B 34 20.917 13.136 -11.237 1.00 0.00 C ATOM 436 C ASP B 34 21.833 12.648 -10.116 1.00 0.00 C ATOM 437 O ASP B 34 22.695 11.798 -10.344 1.00 0.00 O ATOM 438 CB ASP B 34 21.274 14.563 -11.663 1.00 0.00 C ATOM 439 CG ASP B 34 20.701 14.925 -13.035 1.00 0.00 C ATOM 440 OD1 ASP B 34 20.823 16.111 -13.405 1.00 0.00 O ATOM 441 OD2 ASP B 34 20.148 14.017 -13.696 1.00 0.00 O ATOM 0 H ASP B 34 19.139 13.882 -10.424 1.00 0.00 H new ATOM 0 HA ASP B 34 21.083 12.462 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.899 15.266 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.358 14.672 -11.685 1.00 0.00 H new ATOM 446 N VAL B 35 21.652 13.181 -8.900 1.00 0.00 N ATOM 447 CA VAL B 35 22.539 12.872 -7.784 1.00 0.00 C ATOM 448 C VAL B 35 22.316 11.438 -7.312 1.00 0.00 C ATOM 449 O VAL B 35 23.271 10.676 -7.178 1.00 0.00 O ATOM 450 CB VAL B 35 22.297 13.864 -6.645 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.161 13.513 -5.433 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.641 15.280 -7.106 1.00 0.00 C ATOM 0 H VAL B 35 20.898 13.828 -8.670 1.00 0.00 H new ATOM 0 HA VAL B 35 23.575 12.962 -8.112 1.00 0.00 H new ATOM 0 HB VAL B 35 21.245 13.810 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL B 35 22.975 14.230 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL B 35 22.911 12.510 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.214 13.548 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.466 15.981 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.689 15.322 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.013 15.549 -7.956 1.00 0.00 H new ATOM 462 N PHE B 36 21.064 11.052 -7.052 1.00 0.00 N ATOM 463 CA PHE B 36 20.796 9.715 -6.553 1.00 0.00 C ATOM 464 C PHE B 36 21.080 8.636 -7.588 1.00 0.00 C ATOM 465 O PHE B 36 21.479 7.530 -7.229 1.00 0.00 O ATOM 466 CB PHE B 36 19.389 9.613 -5.972 1.00 0.00 C ATOM 467 CG PHE B 36 19.223 10.331 -4.654 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.146 11.730 -4.620 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.149 9.597 -3.462 1.00 0.00 C ATOM 470 CE1 PHE B 36 18.990 12.395 -3.398 1.00 0.00 C ATOM 471 CE2 PHE B 36 18.995 10.265 -2.238 1.00 0.00 C ATOM 472 CZ PHE B 36 18.918 11.661 -2.204 1.00 0.00 C ATOM 0 H PHE B 36 20.239 11.639 -7.178 1.00 0.00 H new ATOM 0 HA PHE B 36 21.495 9.531 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.678 10.022 -6.690 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.137 8.561 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.207 12.296 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.210 8.519 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE B 36 18.925 13.473 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE B 36 18.936 9.700 -1.320 1.00 0.00 H new ATOM 0 HZ PHE B 36 18.803 12.173 -1.260 1.00 0.00 H new ATOM 482 N SER B 37 20.882 8.954 -8.871 1.00 0.00 N ATOM 483 CA SER B 37 21.182 8.017 -9.946 1.00 0.00 C ATOM 484 C SER B 37 22.685 7.759 -10.028 1.00 0.00 C ATOM 485 O SER B 37 23.106 6.677 -10.439 1.00 0.00 O ATOM 486 CB SER B 37 20.656 8.572 -11.265 1.00 0.00 C ATOM 487 OG SER B 37 20.975 7.693 -12.323 1.00 0.00 O ATOM 0 H SER B 37 20.516 9.853 -9.185 1.00 0.00 H new ATOM 0 HA SER B 37 20.690 7.066 -9.740 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.576 8.707 -11.207 1.00 0.00 H new ATOM 0 HB3 SER B 37 21.090 9.554 -11.454 1.00 0.00 H new ATOM 0 HG SER B 37 20.632 8.057 -13.166 1.00 0.00 H new ATOM 493 N LYS B 38 23.504 8.742 -9.634 1.00 0.00 N ATOM 494 CA LYS B 38 24.946 8.551 -9.565 1.00 0.00 C ATOM 495 C LYS B 38 25.300 7.627 -8.397 1.00 0.00 C ATOM 496 O LYS B 38 26.282 6.893 -8.466 1.00 0.00 O ATOM 497 CB LYS B 38 25.624 9.919 -9.422 1.00 0.00 C ATOM 498 CG LYS B 38 27.143 9.773 -9.315 1.00 0.00 C ATOM 499 CD LYS B 38 27.786 11.159 -9.241 1.00 0.00 C ATOM 500 CE LYS B 38 29.302 11.042 -9.071 1.00 0.00 C ATOM 501 NZ LYS B 38 29.923 10.353 -10.216 1.00 0.00 N ATOM 0 H LYS B 38 23.188 9.672 -9.360 1.00 0.00 H new ATOM 0 HA LYS B 38 25.304 8.077 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.375 10.543 -10.280 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.241 10.427 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.402 9.193 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.528 9.228 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.559 11.720 -10.148 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.363 11.718 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS B 38 29.735 12.037 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS B 38 29.525 10.498 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 30.954 10.482 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 29.699 9.338 -10.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 29.554 10.752 -11.103 1.00 0.00 H new ATOM 515 N TYR B 39 24.500 7.660 -7.325 1.00 0.00 N ATOM 516 CA TYR B 39 24.690 6.772 -6.185 1.00 0.00 C ATOM 517 C TYR B 39 24.173 5.343 -6.361 1.00 0.00 C ATOM 518 O TYR B 39 24.616 4.442 -5.645 1.00 0.00 O ATOM 519 CB TYR B 39 24.156 7.406 -4.901 1.00 0.00 C ATOM 520 CG TYR B 39 25.115 8.371 -4.246 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.114 7.881 -3.393 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.006 9.749 -4.482 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.013 8.768 -2.782 1.00 0.00 C ATOM 524 CE2 TYR B 39 25.904 10.639 -3.880 1.00 0.00 C ATOM 525 CZ TYR B 39 26.914 10.152 -3.027 1.00 0.00 C ATOM 526 OH TYR B 39 27.786 11.020 -2.439 1.00 0.00 O ATOM 0 H TYR B 39 23.711 8.299 -7.229 1.00 0.00 H new ATOM 0 HA TYR B 39 25.771 6.653 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.227 7.930 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.912 6.615 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR B 39 26.192 6.820 -3.206 1.00 0.00 H new ATOM 0 HD2 TYR B 39 24.228 10.125 -5.130 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.781 8.390 -2.124 1.00 0.00 H new ATOM 0 HE2 TYR B 39 25.822 11.699 -4.070 1.00 0.00 H new ATOM 0 HH TYR B 39 27.575 11.935 -2.718 1.00 0.00 H new ATOM 536 N GLY B 40 23.247 5.113 -7.297 1.00 0.00 N ATOM 537 CA GLY B 40 22.706 3.780 -7.523 1.00 0.00 C ATOM 538 C GLY B 40 21.500 3.796 -8.454 1.00 0.00 C ATOM 539 O GLY B 40 21.117 4.841 -8.971 1.00 0.00 O ATOM 0 H GLY B 40 22.861 5.834 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.482 3.143 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.419 3.340 -6.568 1.00 0.00 H new ATOM 543 N ALA B 41 20.905 2.619 -8.667 1.00 0.00 N ATOM 544 CA ALA B 41 19.755 2.464 -9.543 1.00 0.00 C ATOM 545 C ALA B 41 18.460 2.785 -8.796 1.00 0.00 C ATOM 546 O ALA B 41 17.901 1.932 -8.109 1.00 0.00 O ATOM 547 CB ALA B 41 19.733 1.034 -10.083 1.00 0.00 C ATOM 0 H ALA B 41 21.213 1.749 -8.233 1.00 0.00 H new ATOM 0 HA ALA B 41 19.834 3.163 -10.376 1.00 0.00 H new ATOM 0 HB1 ALA B 41 18.874 0.907 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.649 0.842 -10.641 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.660 0.332 -9.252 1.00 0.00 H new ATOM 553 N ILE B 42 17.982 4.024 -8.932 1.00 0.00 N ATOM 554 CA ILE B 42 16.707 4.444 -8.363 1.00 0.00 C ATOM 555 C ILE B 42 15.553 3.989 -9.258 1.00 0.00 C ATOM 556 O ILE B 42 15.704 3.885 -10.474 1.00 0.00 O ATOM 557 CB ILE B 42 16.707 5.972 -8.178 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.442 6.363 -6.894 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.284 6.527 -8.068 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.915 5.980 -6.952 1.00 0.00 C ATOM 0 H ILE B 42 18.470 4.761 -9.440 1.00 0.00 H new ATOM 0 HA ILE B 42 16.570 3.979 -7.387 1.00 0.00 H new ATOM 0 HB ILE B 42 17.205 6.387 -9.054 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.351 7.437 -6.735 1.00 0.00 H new ATOM 0 HG13 ILE B 42 16.972 5.873 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.324 7.608 -7.938 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.730 6.291 -8.977 1.00 0.00 H new ATOM 0 HG23 ILE B 42 14.783 6.077 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.404 6.273 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE B 42 19.006 4.902 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE B 42 19.391 6.490 -7.789 1.00 0.00 H new ATOM 572 N ARG B 43 14.396 3.722 -8.647 1.00 0.00 N ATOM 573 CA ARG B 43 13.179 3.336 -9.353 1.00 0.00 C ATOM 574 C ARG B 43 12.086 4.392 -9.194 1.00 0.00 C ATOM 575 O ARG B 43 11.304 4.605 -10.116 1.00 0.00 O ATOM 576 CB ARG B 43 12.686 1.997 -8.817 1.00 0.00 C ATOM 577 CG ARG B 43 13.554 0.852 -9.334 1.00 0.00 C ATOM 578 CD ARG B 43 13.204 -0.440 -8.598 1.00 0.00 C ATOM 579 NE ARG B 43 11.759 -0.707 -8.637 1.00 0.00 N ATOM 580 CZ ARG B 43 10.966 -0.655 -7.560 1.00 0.00 C ATOM 581 NH1 ARG B 43 11.462 -0.363 -6.361 1.00 0.00 N ATOM 582 NH2 ARG B 43 9.665 -0.898 -7.684 1.00 0.00 N ATOM 0 H ARG B 43 14.280 3.769 -7.635 1.00 0.00 H new ATOM 0 HA ARG B 43 13.410 3.249 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.703 2.008 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.650 1.839 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG B 43 13.401 0.723 -10.405 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.608 1.089 -9.189 1.00 0.00 H new ATOM 0 HD2 ARG B 43 13.742 -1.274 -9.049 1.00 0.00 H new ATOM 0 HD3 ARG B 43 13.535 -0.371 -7.562 1.00 0.00 H new ATOM 0 HE ARG B 43 11.337 -0.945 -9.535 1.00 0.00 H new ATOM 0 HH11 ARG B 43 12.459 -0.175 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.846 -0.327 -5.549 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.273 -1.123 -8.598 1.00 0.00 H new ATOM 0 HH22 ARG B 43 9.059 -0.859 -6.865 1.00 0.00 H new ATOM 596 N ASP B 44 12.035 5.052 -8.031 1.00 0.00 N ATOM 597 CA ASP B 44 10.995 6.025 -7.724 1.00 0.00 C ATOM 598 C ASP B 44 11.463 7.182 -6.847 1.00 0.00 C ATOM 599 O ASP B 44 12.435 7.054 -6.105 1.00 0.00 O ATOM 600 CB ASP B 44 9.771 5.331 -7.112 1.00 0.00 C ATOM 601 CG ASP B 44 8.903 4.635 -8.160 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.472 3.493 -7.881 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.676 5.251 -9.227 1.00 0.00 O ATOM 0 H ASP B 44 12.715 4.923 -7.282 1.00 0.00 H new ATOM 0 HA ASP B 44 10.717 6.476 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.104 4.598 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.170 6.067 -6.579 1.00 0.00 H new ATOM 608 N ILE B 45 10.755 8.310 -6.944 1.00 0.00 N ATOM 609 CA ILE B 45 11.017 9.500 -6.142 1.00 0.00 C ATOM 610 C ILE B 45 9.683 10.054 -5.642 1.00 0.00 C ATOM 611 O ILE B 45 8.660 9.894 -6.305 1.00 0.00 O ATOM 612 CB ILE B 45 11.772 10.548 -6.975 1.00 0.00 C ATOM 613 CG1 ILE B 45 13.179 10.061 -7.358 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.922 11.846 -6.176 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.180 9.453 -8.760 1.00 0.00 C ATOM 0 H ILE B 45 9.974 8.420 -7.591 1.00 0.00 H new ATOM 0 HA ILE B 45 11.644 9.245 -5.288 1.00 0.00 H new ATOM 0 HB ILE B 45 11.191 10.716 -7.882 1.00 0.00 H new ATOM 0 HG12 ILE B 45 13.881 10.894 -7.318 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.522 9.320 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE B 45 12.458 12.582 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE B 45 10.935 12.234 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.480 11.647 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.186 9.115 -9.009 1.00 0.00 H new ATOM 0 HD12 ILE B 45 12.495 8.606 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE B 45 12.860 10.204 -9.482 1.00 0.00 H new ATOM 627 N ASP B 46 9.690 10.707 -4.476 1.00 0.00 N ATOM 628 CA ASP B 46 8.482 11.292 -3.912 1.00 0.00 C ATOM 629 C ASP B 46 8.769 12.666 -3.302 1.00 0.00 C ATOM 630 O ASP B 46 8.382 12.945 -2.167 1.00 0.00 O ATOM 631 CB ASP B 46 7.875 10.332 -2.890 1.00 0.00 C ATOM 632 CG ASP B 46 6.577 10.888 -2.295 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.317 10.583 -1.111 1.00 0.00 O ATOM 634 OD2 ASP B 46 5.861 11.606 -3.028 1.00 0.00 O ATOM 0 H ASP B 46 10.525 10.841 -3.906 1.00 0.00 H new ATOM 0 HA ASP B 46 7.755 11.447 -4.709 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.676 9.372 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.593 10.149 -2.091 1.00 0.00 H new ATOM 639 N LEU B 47 9.456 13.529 -4.054 1.00 0.00 N ATOM 640 CA LEU B 47 9.670 14.903 -3.631 1.00 0.00 C ATOM 641 C LEU B 47 8.328 15.626 -3.541 1.00 0.00 C ATOM 642 O LEU B 47 7.575 15.671 -4.516 1.00 0.00 O ATOM 643 CB LEU B 47 10.614 15.595 -4.623 1.00 0.00 C ATOM 644 CG LEU B 47 10.714 17.104 -4.370 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.355 17.390 -3.012 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.569 17.738 -5.462 1.00 0.00 C ATOM 0 H LEU B 47 9.870 13.295 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 47 10.132 14.926 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.606 15.149 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.261 15.421 -5.640 1.00 0.00 H new ATOM 0 HG LEU B 47 9.708 17.523 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.414 18.467 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU B 47 10.751 16.943 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.358 16.964 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.644 18.811 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.566 17.297 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.109 17.559 -6.434 1.00 0.00 H new ATOM 658 N LYS B 48 8.032 16.198 -2.371 1.00 0.00 N ATOM 659 CA LYS B 48 6.802 16.950 -2.155 1.00 0.00 C ATOM 660 C LYS B 48 7.001 18.009 -1.075 1.00 0.00 C ATOM 661 O LYS B 48 7.947 17.935 -0.294 1.00 0.00 O ATOM 662 CB LYS B 48 5.662 15.992 -1.790 1.00 0.00 C ATOM 663 CG LYS B 48 5.983 15.206 -0.517 1.00 0.00 C ATOM 664 CD LYS B 48 4.852 14.214 -0.238 1.00 0.00 C ATOM 665 CE LYS B 48 5.183 13.368 0.991 1.00 0.00 C ATOM 666 NZ LYS B 48 6.408 12.572 0.777 1.00 0.00 N ATOM 0 H LYS B 48 8.638 16.151 -1.552 1.00 0.00 H new ATOM 0 HA LYS B 48 6.535 17.466 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.741 16.557 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.488 15.299 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS B 48 6.928 14.675 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.101 15.888 0.325 1.00 0.00 H new ATOM 0 HD2 LYS B 48 3.918 14.752 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.703 13.568 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS B 48 5.314 14.016 1.857 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.348 12.703 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 6.471 11.830 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 6.376 12.132 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 7.241 13.192 0.842 1.00 0.00 H new ATOM 680 N ASN B 49 6.105 18.999 -1.037 1.00 0.00 N ATOM 681 CA ASN B 49 6.211 20.104 -0.097 1.00 0.00 C ATOM 682 C ASN B 49 5.942 19.636 1.334 1.00 0.00 C ATOM 683 O ASN B 49 5.302 18.606 1.553 1.00 0.00 O ATOM 684 CB ASN B 49 5.248 21.222 -0.508 1.00 0.00 C ATOM 685 CG ASN B 49 3.796 20.758 -0.503 1.00 0.00 C ATOM 686 OD1 ASN B 49 3.223 20.514 0.552 1.00 0.00 O ATOM 687 ND2 ASN B 49 3.198 20.638 -1.685 1.00 0.00 N ATOM 0 H ASN B 49 5.294 19.052 -1.654 1.00 0.00 H new ATOM 0 HA ASN B 49 7.229 20.493 -0.121 1.00 0.00 H new ATOM 0 HB2 ASN B 49 5.361 22.066 0.173 1.00 0.00 H new ATOM 0 HB3 ASN B 49 5.511 21.579 -1.504 1.00 0.00 H new ATOM 0 HD21 ASN B 49 2.226 20.333 -1.736 1.00 0.00 H new ATOM 0 HD22 ASN B 49 3.711 20.851 -2.540 1.00 0.00 H new ATOM 770 N PRO B 55 10.390 21.651 1.131 1.00 0.00 N ATOM 771 CA PRO B 55 10.110 20.292 0.692 1.00 0.00 C ATOM 772 C PRO B 55 10.995 19.234 1.354 1.00 0.00 C ATOM 773 O PRO B 55 12.039 19.542 1.928 1.00 0.00 O ATOM 774 CB PRO B 55 10.324 20.294 -0.825 1.00 0.00 C ATOM 775 CG PRO B 55 10.169 21.757 -1.229 1.00 0.00 C ATOM 776 CD PRO B 55 10.652 22.520 0.000 1.00 0.00 C ATOM 0 HA PRO B 55 9.094 20.020 0.978 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.310 19.912 -1.087 1.00 0.00 H new ATOM 0 HB3 PRO B 55 9.593 19.663 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO B 55 10.766 21.995 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO B 55 9.134 21.999 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO B 55 11.714 22.753 -0.077 1.00 0.00 H new ATOM 0 HD3 PRO B 55 10.124 23.468 0.104 1.00 0.00 H new ATOM 784 N PHE B 56 10.557 17.976 1.262 1.00 0.00 N ATOM 785 CA PHE B 56 11.298 16.819 1.736 1.00 0.00 C ATOM 786 C PHE B 56 10.912 15.699 0.770 1.00 0.00 C ATOM 787 O PHE B 56 9.923 15.816 0.046 1.00 0.00 O ATOM 788 CB PHE B 56 10.868 16.492 3.173 1.00 0.00 C ATOM 789 CG PHE B 56 9.578 15.705 3.297 1.00 0.00 C ATOM 790 CD1 PHE B 56 9.615 14.382 3.764 1.00 0.00 C ATOM 791 CD2 PHE B 56 8.347 16.296 2.969 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.424 13.668 3.939 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.158 15.569 3.125 1.00 0.00 C ATOM 794 CZ PHE B 56 7.196 14.255 3.615 1.00 0.00 C ATOM 0 H PHE B 56 9.657 17.735 0.846 1.00 0.00 H new ATOM 0 HA PHE B 56 12.377 16.974 1.759 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.667 15.928 3.655 1.00 0.00 H new ATOM 0 HB3 PHE B 56 10.760 17.426 3.724 1.00 0.00 H new ATOM 0 HD1 PHE B 56 10.563 13.915 3.988 1.00 0.00 H new ATOM 0 HD2 PHE B 56 8.316 17.309 2.597 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.453 12.660 4.326 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.212 16.021 2.868 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.280 13.698 3.742 1.00 0.00 H new ATOM 804 N ALA B 57 11.683 14.610 0.742 1.00 0.00 N ATOM 805 CA ALA B 57 11.472 13.597 -0.277 1.00 0.00 C ATOM 806 C ALA B 57 11.846 12.198 0.197 1.00 0.00 C ATOM 807 O ALA B 57 12.545 12.026 1.194 1.00 0.00 O ATOM 808 CB ALA B 57 12.306 13.967 -1.506 1.00 0.00 C ATOM 0 H ALA B 57 12.439 14.415 1.398 1.00 0.00 H new ATOM 0 HA ALA B 57 10.409 13.573 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.161 13.217 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA B 57 11.992 14.942 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.360 14.006 -1.232 1.00 0.00 H new ATOM 814 N PHE B 58 11.363 11.203 -0.549 1.00 0.00 N ATOM 815 CA PHE B 58 11.780 9.821 -0.414 1.00 0.00 C ATOM 816 C PHE B 58 12.326 9.332 -1.751 1.00 0.00 C ATOM 817 O PHE B 58 11.961 9.856 -2.802 1.00 0.00 O ATOM 818 CB PHE B 58 10.613 8.945 0.050 1.00 0.00 C ATOM 819 CG PHE B 58 10.061 9.323 1.406 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.773 8.992 2.566 1.00 0.00 C ATOM 821 CD2 PHE B 58 8.843 10.007 1.505 1.00 0.00 C ATOM 822 CE1 PHE B 58 10.271 9.351 3.827 1.00 0.00 C ATOM 823 CE2 PHE B 58 8.354 10.388 2.760 1.00 0.00 C ATOM 824 CZ PHE B 58 9.065 10.058 3.924 1.00 0.00 C ATOM 0 H PHE B 58 10.660 11.345 -1.274 1.00 0.00 H new ATOM 0 HA PHE B 58 12.563 9.753 0.341 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.812 9.005 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.941 7.906 0.080 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.710 8.460 2.490 1.00 0.00 H new ATOM 0 HD2 PHE B 58 8.281 10.241 0.613 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.814 9.083 4.721 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.427 10.937 2.833 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.684 10.348 4.892 1.00 0.00 H new ATOM 834 N VAL B 59 13.202 8.327 -1.711 1.00 0.00 N ATOM 835 CA VAL B 59 13.814 7.778 -2.912 1.00 0.00 C ATOM 836 C VAL B 59 13.887 6.269 -2.763 1.00 0.00 C ATOM 837 O VAL B 59 14.318 5.773 -1.726 1.00 0.00 O ATOM 838 CB VAL B 59 15.214 8.370 -3.086 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.930 7.679 -4.244 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.137 9.869 -3.376 1.00 0.00 C ATOM 0 H VAL B 59 13.503 7.876 -0.847 1.00 0.00 H new ATOM 0 HA VAL B 59 13.223 8.028 -3.793 1.00 0.00 H new ATOM 0 HB VAL B 59 15.766 8.213 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.926 8.105 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.014 6.613 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.361 7.825 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.144 10.269 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.570 10.034 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.642 10.375 -2.547 1.00 0.00 H new ATOM 850 N GLU B 60 13.465 5.536 -3.796 1.00 0.00 N ATOM 851 CA GLU B 60 13.380 4.090 -3.721 1.00 0.00 C ATOM 852 C GLU B 60 14.316 3.429 -4.725 1.00 0.00 C ATOM 853 O GLU B 60 14.348 3.802 -5.897 1.00 0.00 O ATOM 854 CB GLU B 60 11.930 3.649 -3.910 1.00 0.00 C ATOM 855 CG GLU B 60 11.828 2.122 -3.883 1.00 0.00 C ATOM 856 CD GLU B 60 10.379 1.651 -3.789 1.00 0.00 C ATOM 857 OE1 GLU B 60 10.153 0.456 -4.087 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.517 2.484 -3.423 1.00 0.00 O ATOM 0 H GLU B 60 13.178 5.929 -4.693 1.00 0.00 H new ATOM 0 HA GLU B 60 13.707 3.765 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.308 4.075 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.549 4.028 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.286 1.711 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.391 1.735 -3.034 1.00 0.00 H new ATOM 865 N PHE B 61 15.071 2.440 -4.246 1.00 0.00 N ATOM 866 CA PHE B 61 16.090 1.748 -5.030 1.00 0.00 C ATOM 867 C PHE B 61 15.646 0.415 -5.623 1.00 0.00 C ATOM 868 O PHE B 61 14.672 -0.183 -5.165 1.00 0.00 O ATOM 869 CB PHE B 61 17.370 1.596 -4.203 1.00 0.00 C ATOM 870 CG PHE B 61 18.136 2.886 -4.022 1.00 0.00 C ATOM 871 CD1 PHE B 61 19.343 3.089 -4.705 1.00 0.00 C ATOM 872 CD2 PHE B 61 17.638 3.881 -3.167 1.00 0.00 C ATOM 873 CE1 PHE B 61 20.050 4.286 -4.535 1.00 0.00 C ATOM 874 CE2 PHE B 61 18.343 5.080 -3.003 1.00 0.00 C ATOM 875 CZ PHE B 61 19.547 5.283 -3.688 1.00 0.00 C ATOM 0 H PHE B 61 14.990 2.094 -3.290 1.00 0.00 H new ATOM 0 HA PHE B 61 16.283 2.378 -5.898 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.112 1.197 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.018 0.864 -4.685 1.00 0.00 H new ATOM 0 HD1 PHE B 61 19.728 2.323 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE B 61 16.711 3.722 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE B 61 20.983 4.441 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE B 61 17.958 5.848 -2.348 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.089 6.209 -3.564 1.00 0.00 H new ATOM 885 N GLU B 62 16.367 -0.050 -6.647 1.00 0.00 N ATOM 886 CA GLU B 62 16.178 -1.380 -7.206 1.00 0.00 C ATOM 887 C GLU B 62 16.922 -2.424 -6.364 1.00 0.00 C ATOM 888 O GLU B 62 16.645 -3.621 -6.458 1.00 0.00 O ATOM 889 CB GLU B 62 16.682 -1.374 -8.654 1.00 0.00 C ATOM 890 CG GLU B 62 16.537 -2.748 -9.310 1.00 0.00 C ATOM 891 CD GLU B 62 16.866 -2.711 -10.803 1.00 0.00 C ATOM 892 OE1 GLU B 62 16.848 -3.806 -11.413 1.00 0.00 O ATOM 893 OE2 GLU B 62 17.130 -1.604 -11.320 1.00 0.00 O ATOM 0 H GLU B 62 17.098 0.491 -7.109 1.00 0.00 H new ATOM 0 HA GLU B 62 15.121 -1.646 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.125 -0.635 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.729 -1.070 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.196 -3.458 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU B 62 15.518 -3.109 -9.173 1.00 0.00 H new ATOM 900 N ASP B 63 17.866 -1.964 -5.539 1.00 0.00 N ATOM 901 CA ASP B 63 18.676 -2.836 -4.697 1.00 0.00 C ATOM 902 C ASP B 63 19.125 -2.059 -3.459 1.00 0.00 C ATOM 903 O ASP B 63 19.796 -1.033 -3.590 1.00 0.00 O ATOM 904 CB ASP B 63 19.862 -3.341 -5.530 1.00 0.00 C ATOM 905 CG ASP B 63 20.822 -4.238 -4.749 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.630 -4.385 -3.523 1.00 0.00 O ATOM 907 OD2 ASP B 63 21.748 -4.772 -5.399 1.00 0.00 O ATOM 0 H ASP B 63 18.088 -0.973 -5.439 1.00 0.00 H new ATOM 0 HA ASP B 63 18.108 -3.700 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP B 63 19.482 -3.892 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.413 -2.484 -5.918 1.00 0.00 H new ATOM 912 N PRO B 64 18.766 -2.525 -2.252 1.00 0.00 N ATOM 913 CA PRO B 64 19.057 -1.822 -1.010 1.00 0.00 C ATOM 914 C PRO B 64 20.558 -1.746 -0.735 1.00 0.00 C ATOM 915 O PRO B 64 20.984 -0.969 0.118 1.00 0.00 O ATOM 916 CB PRO B 64 18.329 -2.605 0.084 1.00 0.00 C ATOM 917 CG PRO B 64 18.167 -4.006 -0.505 1.00 0.00 C ATOM 918 CD PRO B 64 18.044 -3.756 -2.006 1.00 0.00 C ATOM 0 HA PRO B 64 18.721 -0.786 -1.057 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.905 -2.626 1.009 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.363 -2.157 0.319 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.024 -4.639 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.284 -4.507 -0.109 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.469 -4.581 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.000 -3.665 -2.305 1.00 0.00 H new ATOM 926 N ARG B 65 21.366 -2.540 -1.445 1.00 0.00 N ATOM 927 CA ARG B 65 22.813 -2.487 -1.296 1.00 0.00 C ATOM 928 C ARG B 65 23.371 -1.205 -1.908 1.00 0.00 C ATOM 929 O ARG B 65 24.446 -0.750 -1.512 1.00 0.00 O ATOM 930 CB ARG B 65 23.445 -3.715 -1.954 1.00 0.00 C ATOM 931 CG ARG B 65 22.956 -4.991 -1.263 1.00 0.00 C ATOM 932 CD ARG B 65 23.556 -6.223 -1.944 1.00 0.00 C ATOM 933 NE ARG B 65 23.167 -6.291 -3.355 1.00 0.00 N ATOM 934 CZ ARG B 65 23.661 -7.174 -4.224 1.00 0.00 C ATOM 935 NH1 ARG B 65 24.540 -8.093 -3.830 1.00 0.00 N ATOM 936 NH2 ARG B 65 23.269 -7.135 -5.493 1.00 0.00 N ATOM 0 H ARG B 65 21.037 -3.224 -2.126 1.00 0.00 H new ATOM 0 HA ARG B 65 23.058 -2.488 -0.234 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.187 -3.743 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG B 65 24.531 -3.652 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG B 65 23.238 -4.974 -0.210 1.00 0.00 H new ATOM 0 HG3 ARG B 65 21.868 -5.039 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG B 65 24.643 -6.192 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG B 65 23.224 -7.124 -1.429 1.00 0.00 H new ATOM 0 HE ARG B 65 22.476 -5.622 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG B 65 24.841 -8.126 -2.856 1.00 0.00 H new ATOM 0 HH12 ARG B 65 24.912 -8.764 -4.502 1.00 0.00 H new ATOM 0 HH21 ARG B 65 22.594 -6.433 -5.797 1.00 0.00 H new ATOM 0 HH22 ARG B 65 23.643 -7.807 -6.163 1.00 0.00 H new ATOM 950 N ASP B 66 22.645 -0.620 -2.870 1.00 0.00 N ATOM 951 CA ASP B 66 23.029 0.650 -3.470 1.00 0.00 C ATOM 952 C ASP B 66 22.464 1.820 -2.668 1.00 0.00 C ATOM 953 O ASP B 66 23.029 2.915 -2.668 1.00 0.00 O ATOM 954 CB ASP B 66 22.550 0.711 -4.924 1.00 0.00 C ATOM 955 CG ASP B 66 23.210 -0.345 -5.809 1.00 0.00 C ATOM 956 OD1 ASP B 66 24.103 -1.062 -5.306 1.00 0.00 O ATOM 957 OD2 ASP B 66 22.809 -0.419 -6.993 1.00 0.00 O ATOM 0 H ASP B 66 21.783 -1.015 -3.247 1.00 0.00 H new ATOM 0 HA ASP B 66 24.116 0.726 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.469 0.577 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.759 1.701 -5.330 1.00 0.00 H new ATOM 962 N ALA B 67 21.343 1.587 -1.978 1.00 0.00 N ATOM 963 CA ALA B 67 20.732 2.604 -1.138 1.00 0.00 C ATOM 964 C ALA B 67 21.623 2.896 0.065 1.00 0.00 C ATOM 965 O ALA B 67 21.565 3.983 0.636 1.00 0.00 O ATOM 966 CB ALA B 67 19.363 2.108 -0.677 1.00 0.00 C ATOM 0 H ALA B 67 20.844 0.697 -1.990 1.00 0.00 H new ATOM 0 HA ALA B 67 20.612 3.527 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA B 67 18.896 2.864 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.732 1.921 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.483 1.185 -0.110 1.00 0.00 H new ATOM 972 N GLU B 68 22.450 1.921 0.453 1.00 0.00 N ATOM 973 CA GLU B 68 23.372 2.084 1.562 1.00 0.00 C ATOM 974 C GLU B 68 24.486 3.062 1.193 1.00 0.00 C ATOM 975 O GLU B 68 24.997 3.767 2.060 1.00 0.00 O ATOM 976 CB GLU B 68 23.941 0.709 1.938 1.00 0.00 C ATOM 977 CG GLU B 68 24.965 0.835 3.069 1.00 0.00 C ATOM 978 CD GLU B 68 25.460 -0.531 3.544 1.00 0.00 C ATOM 979 OE1 GLU B 68 26.365 -0.535 4.409 1.00 0.00 O ATOM 980 OE2 GLU B 68 24.936 -1.553 3.050 1.00 0.00 O ATOM 0 H GLU B 68 22.493 1.005 0.006 1.00 0.00 H new ATOM 0 HA GLU B 68 22.847 2.500 2.422 1.00 0.00 H new ATOM 0 HB2 GLU B 68 23.131 0.047 2.246 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.410 0.254 1.066 1.00 0.00 H new ATOM 0 HG2 GLU B 68 25.812 1.429 2.727 1.00 0.00 H new ATOM 0 HG3 GLU B 68 24.517 1.370 3.906 1.00 0.00 H new ATOM 987 N ASP B 69 24.860 3.112 -0.091 1.00 0.00 N ATOM 988 CA ASP B 69 25.896 4.022 -0.555 1.00 0.00 C ATOM 989 C ASP B 69 25.395 5.459 -0.672 1.00 0.00 C ATOM 990 O ASP B 69 26.138 6.404 -0.408 1.00 0.00 O ATOM 991 CB ASP B 69 26.467 3.532 -1.889 1.00 0.00 C ATOM 992 CG ASP B 69 27.315 2.269 -1.742 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.530 1.831 -0.589 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.742 1.748 -2.796 1.00 0.00 O ATOM 0 H ASP B 69 24.455 2.529 -0.823 1.00 0.00 H new ATOM 0 HA ASP B 69 26.689 4.027 0.192 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.647 3.335 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.074 4.322 -2.331 1.00 0.00 H new ATOM 999 N ALA B 70 24.130 5.625 -1.066 1.00 0.00 N ATOM 1000 CA ALA B 70 23.508 6.933 -1.172 1.00 0.00 C ATOM 1001 C ALA B 70 23.328 7.541 0.216 1.00 0.00 C ATOM 1002 O ALA B 70 23.314 8.765 0.356 1.00 0.00 O ATOM 1003 CB ALA B 70 22.153 6.781 -1.862 1.00 0.00 C ATOM 0 H ALA B 70 23.514 4.852 -1.319 1.00 0.00 H new ATOM 0 HA ALA B 70 24.144 7.597 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.676 7.758 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.297 6.359 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.518 6.117 -1.275 1.00 0.00 H new ATOM 1009 N VAL B 71 23.192 6.686 1.233 1.00 0.00 N ATOM 1010 CA VAL B 71 23.027 7.142 2.602 1.00 0.00 C ATOM 1011 C VAL B 71 24.400 7.343 3.234 1.00 0.00 C ATOM 1012 O VAL B 71 24.627 8.349 3.903 1.00 0.00 O ATOM 1013 CB VAL B 71 22.217 6.097 3.381 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.298 6.349 4.888 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.757 6.164 2.940 1.00 0.00 C ATOM 0 H VAL B 71 23.194 5.672 1.126 1.00 0.00 H new ATOM 0 HA VAL B 71 22.492 8.091 2.625 1.00 0.00 H new ATOM 0 HB VAL B 71 22.633 5.111 3.172 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.715 5.594 5.415 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.338 6.295 5.211 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.899 7.338 5.113 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.176 5.424 3.490 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.361 7.159 3.143 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.690 5.957 1.872 1.00 0.00 H new ATOM 1025 N SER B 72 25.320 6.400 3.024 1.00 0.00 N ATOM 1026 CA SER B 72 26.635 6.460 3.645 1.00 0.00 C ATOM 1027 C SER B 72 27.439 7.649 3.119 1.00 0.00 C ATOM 1028 O SER B 72 28.373 8.105 3.775 1.00 0.00 O ATOM 1029 CB SER B 72 27.368 5.145 3.375 1.00 0.00 C ATOM 1030 OG SER B 72 28.665 5.182 3.933 1.00 0.00 O ATOM 0 H SER B 72 25.174 5.586 2.427 1.00 0.00 H new ATOM 0 HA SER B 72 26.520 6.600 4.720 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.806 4.314 3.800 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.432 4.970 2.301 1.00 0.00 H new ATOM 0 HG SER B 72 29.122 4.334 3.754 1.00 0.00 H new ATOM 1036 N GLY B 73 27.079 8.159 1.938 1.00 0.00 N ATOM 1037 CA GLY B 73 27.806 9.263 1.326 1.00 0.00 C ATOM 1038 C GLY B 73 27.256 10.634 1.723 1.00 0.00 C ATOM 1039 O GLY B 73 27.931 11.641 1.512 1.00 0.00 O ATOM 0 H GLY B 73 26.288 7.822 1.390 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.856 9.202 1.612 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.765 9.161 0.242 1.00 0.00 H new ATOM 1043 N ARG B 74 26.040 10.691 2.289 1.00 0.00 N ATOM 1044 CA ARG B 74 25.356 11.964 2.522 1.00 0.00 C ATOM 1045 C ARG B 74 24.499 11.963 3.789 1.00 0.00 C ATOM 1046 O ARG B 74 23.605 12.796 3.926 1.00 0.00 O ATOM 1047 CB ARG B 74 24.517 12.333 1.292 1.00 0.00 C ATOM 1048 CG ARG B 74 25.413 12.693 0.104 1.00 0.00 C ATOM 1049 CD ARG B 74 24.563 13.061 -1.112 1.00 0.00 C ATOM 1050 NE ARG B 74 23.849 11.884 -1.628 1.00 0.00 N ATOM 1051 CZ ARG B 74 22.607 11.910 -2.117 1.00 0.00 C ATOM 1052 NH1 ARG B 74 21.920 13.049 -2.175 1.00 0.00 N ATOM 1053 NH2 ARG B 74 22.049 10.787 -2.553 1.00 0.00 N ATOM 0 H ARG B 74 25.515 9.870 2.592 1.00 0.00 H new ATOM 0 HA ARG B 74 26.125 12.720 2.681 1.00 0.00 H new ATOM 0 HB2 ARG B 74 23.871 11.497 1.024 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.867 13.175 1.530 1.00 0.00 H new ATOM 0 HG2 ARG B 74 26.061 13.528 0.369 1.00 0.00 H new ATOM 0 HG3 ARG B 74 26.061 11.851 -0.139 1.00 0.00 H new ATOM 0 HD2 ARG B 74 23.846 13.835 -0.839 1.00 0.00 H new ATOM 0 HD3 ARG B 74 25.199 13.477 -1.893 1.00 0.00 H new ATOM 0 HE ARG B 74 24.335 10.987 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG B 74 22.342 13.916 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG B 74 20.972 13.054 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG B 74 22.569 9.910 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.100 10.801 -2.928 1.00 0.00 H new ATOM 1067 N ASP B 75 24.757 11.040 4.716 1.00 0.00 N ATOM 1068 CA ASP B 75 24.028 10.978 5.977 1.00 0.00 C ATOM 1069 C ASP B 75 24.371 12.130 6.927 1.00 0.00 C ATOM 1070 O ASP B 75 23.811 12.221 8.018 1.00 0.00 O ATOM 1071 CB ASP B 75 24.221 9.619 6.667 1.00 0.00 C ATOM 1072 CG ASP B 75 25.688 9.188 6.763 1.00 0.00 C ATOM 1073 OD1 ASP B 75 25.911 8.005 7.109 1.00 0.00 O ATOM 1074 OD2 ASP B 75 26.571 10.034 6.496 1.00 0.00 O ATOM 0 H ASP B 75 25.472 10.320 4.613 1.00 0.00 H new ATOM 0 HA ASP B 75 22.974 11.090 5.724 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.797 9.666 7.670 1.00 0.00 H new ATOM 0 HB3 ASP B 75 23.662 8.860 6.120 1.00 0.00 H new ATOM 1079 N GLY B 76 25.288 13.010 6.517 1.00 0.00 N ATOM 1080 CA GLY B 76 25.701 14.139 7.326 1.00 0.00 C ATOM 1081 C GLY B 76 26.875 14.857 6.679 1.00 0.00 C ATOM 1082 O GLY B 76 28.030 14.518 6.935 1.00 0.00 O ATOM 0 H GLY B 76 25.759 12.952 5.614 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.867 14.830 7.449 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.981 13.797 8.322 1.00 0.00 H new ATOM 1086 N TYR B 77 26.576 15.852 5.841 1.00 0.00 N ATOM 1087 CA TYR B 77 27.584 16.681 5.206 1.00 0.00 C ATOM 1088 C TYR B 77 27.438 18.160 5.544 1.00 0.00 C ATOM 1089 O TYR B 77 26.326 18.682 5.562 1.00 0.00 O ATOM 1090 CB TYR B 77 27.644 16.412 3.702 1.00 0.00 C ATOM 1091 CG TYR B 77 28.454 17.434 2.931 1.00 0.00 C ATOM 1092 CD1 TYR B 77 27.803 18.451 2.215 1.00 0.00 C ATOM 1093 CD2 TYR B 77 29.855 17.365 2.939 1.00 0.00 C ATOM 1094 CE1 TYR B 77 28.551 19.401 1.508 1.00 0.00 C ATOM 1095 CE2 TYR B 77 30.610 18.315 2.236 1.00 0.00 C ATOM 1096 CZ TYR B 77 29.957 19.339 1.519 1.00 0.00 C ATOM 1097 OH TYR B 77 30.691 20.265 0.841 1.00 0.00 O ATOM 0 H TYR B 77 25.620 16.101 5.587 1.00 0.00 H new ATOM 0 HA TYR B 77 28.549 16.394 5.623 1.00 0.00 H new ATOM 0 HB2 TYR B 77 28.071 15.423 3.536 1.00 0.00 H new ATOM 0 HB3 TYR B 77 26.629 16.392 3.305 1.00 0.00 H new ATOM 0 HD1 TYR B 77 26.724 18.501 2.209 1.00 0.00 H new ATOM 0 HD2 TYR B 77 30.353 16.579 3.487 1.00 0.00 H new ATOM 0 HE1 TYR B 77 28.049 20.181 0.955 1.00 0.00 H new ATOM 0 HE2 TYR B 77 31.689 18.263 2.244 1.00 0.00 H new ATOM 0 HH TYR B 77 31.645 20.074 0.956 1.00 0.00 H new ATOM 1107 N ASP B 78 28.563 18.826 5.808 1.00 0.00 N ATOM 1108 CA ASP B 78 28.591 20.221 6.220 1.00 0.00 C ATOM 1109 C ASP B 78 28.169 21.162 5.086 1.00 0.00 C ATOM 1110 O ASP B 78 28.996 21.588 4.281 1.00 0.00 O ATOM 1111 CB ASP B 78 29.996 20.561 6.746 1.00 0.00 C ATOM 1112 CG ASP B 78 30.167 22.047 7.056 1.00 0.00 C ATOM 1113 OD1 ASP B 78 29.145 22.699 7.360 1.00 0.00 O ATOM 1114 OD2 ASP B 78 31.327 22.514 6.985 1.00 0.00 O ATOM 0 H ASP B 78 29.488 18.403 5.740 1.00 0.00 H new ATOM 0 HA ASP B 78 27.865 20.366 7.020 1.00 0.00 H new ATOM 0 HB2 ASP B 78 30.192 19.981 7.648 1.00 0.00 H new ATOM 0 HB3 ASP B 78 30.739 20.261 6.007 1.00 0.00 H new ATOM 1119 N TYR B 79 26.871 21.481 5.032 1.00 0.00 N ATOM 1120 CA TYR B 79 26.312 22.380 4.037 1.00 0.00 C ATOM 1121 C TYR B 79 26.491 23.816 4.538 1.00 0.00 C ATOM 1122 O TYR B 79 27.098 24.052 5.580 1.00 0.00 O ATOM 1123 CB TYR B 79 24.825 22.057 3.900 1.00 0.00 C ATOM 1124 CG TYR B 79 24.167 22.700 2.700 1.00 0.00 C ATOM 1125 CD1 TYR B 79 24.487 22.254 1.412 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.243 23.738 2.880 1.00 0.00 C ATOM 1127 CE1 TYR B 79 23.884 22.846 0.294 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.632 24.334 1.766 1.00 0.00 C ATOM 1129 CZ TYR B 79 22.952 23.890 0.470 1.00 0.00 C ATOM 1130 OH TYR B 79 22.360 24.466 -0.614 1.00 0.00 O ATOM 0 H TYR B 79 26.180 21.115 5.687 1.00 0.00 H new ATOM 0 HA TYR B 79 26.806 22.267 3.072 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.703 20.976 3.834 1.00 0.00 H new ATOM 0 HB3 TYR B 79 24.308 22.381 4.803 1.00 0.00 H new ATOM 0 HD1 TYR B 79 25.199 21.453 1.280 1.00 0.00 H new ATOM 0 HD2 TYR B 79 23.001 24.079 3.876 1.00 0.00 H new ATOM 0 HE1 TYR B 79 24.132 22.504 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR B 79 21.917 25.132 1.903 1.00 0.00 H new ATOM 0 HH TYR B 79 21.744 25.168 -0.316 1.00 0.00 H new ATOM 1140 N ASP B 80 25.956 24.776 3.783 1.00 0.00 N ATOM 1141 CA ASP B 80 26.011 26.184 4.120 1.00 0.00 C ATOM 1142 C ASP B 80 25.174 26.518 5.355 1.00 0.00 C ATOM 1143 O ASP B 80 24.032 26.963 5.230 1.00 0.00 O ATOM 1144 CB ASP B 80 25.575 27.012 2.906 1.00 0.00 C ATOM 1145 CG ASP B 80 26.569 26.929 1.747 1.00 0.00 C ATOM 1146 OD1 ASP B 80 26.266 27.538 0.695 1.00 0.00 O ATOM 1147 OD2 ASP B 80 27.619 26.270 1.915 1.00 0.00 O ATOM 0 H ASP B 80 25.467 24.586 2.908 1.00 0.00 H new ATOM 0 HA ASP B 80 27.040 26.436 4.376 1.00 0.00 H new ATOM 0 HB2 ASP B 80 24.598 26.666 2.567 1.00 0.00 H new ATOM 0 HB3 ASP B 80 25.458 28.054 3.205 1.00 0.00 H new ATOM 1152 N GLY B 81 25.740 26.305 6.546 1.00 0.00 N ATOM 1153 CA GLY B 81 25.066 26.600 7.805 1.00 0.00 C ATOM 1154 C GLY B 81 24.141 25.462 8.245 1.00 0.00 C ATOM 1155 O GLY B 81 23.462 25.576 9.264 1.00 0.00 O ATOM 0 H GLY B 81 26.679 25.923 6.660 1.00 0.00 H new ATOM 0 HA2 GLY B 81 25.811 26.781 8.580 1.00 0.00 H new ATOM 0 HA3 GLY B 81 24.486 27.517 7.699 1.00 0.00 H new ATOM 1159 N TYR B 82 24.117 24.365 7.482 1.00 0.00 N ATOM 1160 CA TYR B 82 23.270 23.213 7.769 1.00 0.00 C ATOM 1161 C TYR B 82 23.992 21.878 7.561 1.00 0.00 C ATOM 1162 O TYR B 82 25.191 21.857 7.286 1.00 0.00 O ATOM 1163 CB TYR B 82 21.984 23.295 6.947 1.00 0.00 C ATOM 1164 CG TYR B 82 21.061 24.410 7.377 1.00 0.00 C ATOM 1165 CD1 TYR B 82 20.025 24.159 8.288 1.00 0.00 C ATOM 1166 CD2 TYR B 82 21.249 25.699 6.858 1.00 0.00 C ATOM 1167 CE1 TYR B 82 19.178 25.204 8.689 1.00 0.00 C ATOM 1168 CE2 TYR B 82 20.403 26.748 7.252 1.00 0.00 C ATOM 1169 CZ TYR B 82 19.365 26.502 8.170 1.00 0.00 C ATOM 1170 OH TYR B 82 18.539 27.515 8.561 1.00 0.00 O ATOM 0 H TYR B 82 24.689 24.255 6.645 1.00 0.00 H new ATOM 0 HA TYR B 82 23.014 23.247 8.828 1.00 0.00 H new ATOM 0 HB2 TYR B 82 22.242 23.433 5.897 1.00 0.00 H new ATOM 0 HB3 TYR B 82 21.453 22.346 7.023 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.879 23.163 8.680 1.00 0.00 H new ATOM 0 HD2 TYR B 82 22.046 25.885 6.154 1.00 0.00 H new ATOM 0 HE1 TYR B 82 18.383 25.014 9.395 1.00 0.00 H new ATOM 0 HE2 TYR B 82 20.548 27.741 6.852 1.00 0.00 H new ATOM 0 HH TYR B 82 18.804 28.345 8.112 1.00 0.00 H new ATOM 1180 N ARG B 83 23.262 20.768 7.692 1.00 0.00 N ATOM 1181 CA ARG B 83 23.820 19.438 7.492 1.00 0.00 C ATOM 1182 C ARG B 83 22.813 18.554 6.758 1.00 0.00 C ATOM 1183 O ARG B 83 21.632 18.550 7.093 1.00 0.00 O ATOM 1184 CB ARG B 83 24.211 18.848 8.850 1.00 0.00 C ATOM 1185 CG ARG B 83 24.745 17.424 8.685 1.00 0.00 C ATOM 1186 CD ARG B 83 25.241 16.887 10.028 1.00 0.00 C ATOM 1187 NE ARG B 83 24.154 16.813 11.016 1.00 0.00 N ATOM 1188 CZ ARG B 83 23.293 15.793 11.111 1.00 0.00 C ATOM 1189 NH1 ARG B 83 23.371 14.760 10.279 1.00 0.00 N ATOM 1190 NH2 ARG B 83 22.351 15.813 12.046 1.00 0.00 N ATOM 0 H ARG B 83 22.272 20.770 7.939 1.00 0.00 H new ATOM 0 HA ARG B 83 24.716 19.495 6.873 1.00 0.00 H new ATOM 0 HB2 ARG B 83 24.969 19.474 9.320 1.00 0.00 H new ATOM 0 HB3 ARG B 83 23.346 18.843 9.513 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.960 16.777 8.294 1.00 0.00 H new ATOM 0 HG3 ARG B 83 25.558 17.414 7.959 1.00 0.00 H new ATOM 0 HD2 ARG B 83 25.674 15.896 9.887 1.00 0.00 H new ATOM 0 HD3 ARG B 83 26.035 17.531 10.407 1.00 0.00 H new ATOM 0 HE ARG B 83 24.050 17.588 11.670 1.00 0.00 H new ATOM 0 HH11 ARG B 83 24.093 14.739 9.558 1.00 0.00 H new ATOM 0 HH12 ARG B 83 22.709 13.988 10.361 1.00 0.00 H new ATOM 0 HH21 ARG B 83 22.286 16.603 12.688 1.00 0.00 H new ATOM 0 HH22 ARG B 83 21.692 15.038 12.123 1.00 0.00 H new ATOM 1204 N LEU B 84 23.286 17.808 5.753 1.00 0.00 N ATOM 1205 CA LEU B 84 22.436 16.923 4.960 1.00 0.00 C ATOM 1206 C LEU B 84 21.881 15.801 5.836 1.00 0.00 C ATOM 1207 O LEU B 84 22.512 15.409 6.816 1.00 0.00 O ATOM 1208 CB LEU B 84 23.241 16.328 3.794 1.00 0.00 C ATOM 1209 CG LEU B 84 23.307 17.244 2.562 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.922 17.412 1.939 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.876 18.615 2.912 1.00 0.00 C ATOM 0 H LEU B 84 24.266 17.803 5.470 1.00 0.00 H new ATOM 0 HA LEU B 84 21.604 17.501 4.559 1.00 0.00 H new ATOM 0 HB2 LEU B 84 24.255 16.116 4.134 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.796 15.376 3.505 1.00 0.00 H new ATOM 0 HG LEU B 84 23.972 16.767 1.842 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.991 18.064 1.068 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.540 16.438 1.633 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.245 17.854 2.670 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.908 19.235 2.016 1.00 0.00 H new ATOM 0 HD22 LEU B 84 23.243 19.091 3.661 1.00 0.00 H new ATOM 0 HD23 LEU B 84 24.884 18.500 3.309 1.00 0.00 H new ATOM 1223 N ARG B 85 20.698 15.288 5.480 1.00 0.00 N ATOM 1224 CA ARG B 85 20.066 14.196 6.213 1.00 0.00 C ATOM 1225 C ARG B 85 19.531 13.139 5.256 1.00 0.00 C ATOM 1226 O ARG B 85 18.347 12.804 5.290 1.00 0.00 O ATOM 1227 CB ARG B 85 18.980 14.740 7.149 1.00 0.00 C ATOM 1228 CG ARG B 85 19.604 15.619 8.237 1.00 0.00 C ATOM 1229 CD ARG B 85 18.551 16.041 9.260 1.00 0.00 C ATOM 1230 NE ARG B 85 17.524 16.896 8.653 1.00 0.00 N ATOM 1231 CZ ARG B 85 16.209 16.664 8.724 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.737 15.603 9.374 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.359 17.502 8.143 1.00 0.00 N ATOM 0 H ARG B 85 20.158 15.619 4.680 1.00 0.00 H new ATOM 0 HA ARG B 85 20.815 13.707 6.835 1.00 0.00 H new ATOM 0 HB2 ARG B 85 18.254 15.318 6.577 1.00 0.00 H new ATOM 0 HB3 ARG B 85 18.438 13.913 7.607 1.00 0.00 H new ATOM 0 HG2 ARG B 85 20.405 15.074 8.736 1.00 0.00 H new ATOM 0 HG3 ARG B 85 20.053 16.503 7.784 1.00 0.00 H new ATOM 0 HD2 ARG B 85 18.082 15.155 9.688 1.00 0.00 H new ATOM 0 HD3 ARG B 85 19.032 16.574 10.080 1.00 0.00 H new ATOM 0 HE ARG B 85 17.834 17.723 8.143 1.00 0.00 H new ATOM 0 HH11 ARG B 85 16.381 14.954 9.826 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.731 15.439 9.420 1.00 0.00 H new ATOM 0 HH21 ARG B 85 15.710 18.320 7.644 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.355 17.328 8.195 1.00 0.00 H new ATOM 1247 N VAL B 86 20.408 12.611 4.397 1.00 0.00 N ATOM 1248 CA VAL B 86 20.066 11.510 3.509 1.00 0.00 C ATOM 1249 C VAL B 86 20.196 10.188 4.257 1.00 0.00 C ATOM 1250 O VAL B 86 21.285 9.624 4.340 1.00 0.00 O ATOM 1251 CB VAL B 86 20.951 11.528 2.257 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.436 10.508 1.247 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.949 12.916 1.617 1.00 0.00 C ATOM 0 H VAL B 86 21.370 12.937 4.302 1.00 0.00 H new ATOM 0 HA VAL B 86 19.033 11.624 3.182 1.00 0.00 H new ATOM 0 HB VAL B 86 21.970 11.275 2.551 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.068 10.524 0.359 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.459 9.513 1.691 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.412 10.757 0.968 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.583 12.909 0.730 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.931 13.185 1.334 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.332 13.646 2.330 1.00 0.00 H new ATOM 1263 N GLU B 87 19.085 9.696 4.808 1.00 0.00 N ATOM 1264 CA GLU B 87 19.083 8.452 5.565 1.00 0.00 C ATOM 1265 C GLU B 87 17.712 7.791 5.485 1.00 0.00 C ATOM 1266 O GLU B 87 16.725 8.439 5.156 1.00 0.00 O ATOM 1267 CB GLU B 87 19.467 8.734 7.023 1.00 0.00 C ATOM 1268 CG GLU B 87 18.431 9.642 7.697 1.00 0.00 C ATOM 1269 CD GLU B 87 18.830 9.982 9.133 1.00 0.00 C ATOM 1270 OE1 GLU B 87 18.097 10.784 9.755 1.00 0.00 O ATOM 1271 OE2 GLU B 87 19.859 9.443 9.600 1.00 0.00 O ATOM 0 H GLU B 87 18.172 10.146 4.741 1.00 0.00 H new ATOM 0 HA GLU B 87 19.816 7.768 5.137 1.00 0.00 H new ATOM 0 HB2 GLU B 87 19.544 7.795 7.571 1.00 0.00 H new ATOM 0 HB3 GLU B 87 20.449 9.206 7.060 1.00 0.00 H new ATOM 0 HG2 GLU B 87 18.323 10.561 7.121 1.00 0.00 H new ATOM 0 HG3 GLU B 87 17.459 9.149 7.696 1.00 0.00 H new ATOM 1278 N PHE B 88 17.649 6.492 5.791 1.00 0.00 N ATOM 1279 CA PHE B 88 16.398 5.747 5.775 1.00 0.00 C ATOM 1280 C PHE B 88 15.486 6.003 6.979 1.00 0.00 C ATOM 1281 O PHE B 88 15.970 6.404 8.039 1.00 0.00 O ATOM 1282 CB PHE B 88 16.660 4.256 5.557 1.00 0.00 C ATOM 1283 CG PHE B 88 17.892 3.747 6.275 1.00 0.00 C ATOM 1284 CD1 PHE B 88 17.845 3.471 7.650 1.00 0.00 C ATOM 1285 CD2 PHE B 88 19.085 3.554 5.563 1.00 0.00 C ATOM 1286 CE1 PHE B 88 18.992 3.004 8.311 1.00 0.00 C ATOM 1287 CE2 PHE B 88 20.228 3.091 6.224 1.00 0.00 C ATOM 1288 CZ PHE B 88 20.181 2.815 7.597 1.00 0.00 C ATOM 0 H PHE B 88 18.462 5.935 6.055 1.00 0.00 H new ATOM 0 HA PHE B 88 15.833 6.131 4.926 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.792 3.690 5.895 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.768 4.067 4.489 1.00 0.00 H new ATOM 0 HD1 PHE B 88 16.927 3.618 8.199 1.00 0.00 H new ATOM 0 HD2 PHE B 88 19.121 3.763 4.504 1.00 0.00 H new ATOM 0 HE1 PHE B 88 18.957 2.791 9.369 1.00 0.00 H new ATOM 0 HE2 PHE B 88 21.147 2.946 5.676 1.00 0.00 H new ATOM 0 HZ PHE B 88 21.064 2.456 8.105 1.00 0.00 H new ATOM 1298 N PRO B 89 14.173 5.774 6.825 1.00 0.00 N ATOM 1299 CA PRO B 89 13.201 5.880 7.903 1.00 0.00 C ATOM 1300 C PRO B 89 13.587 5.012 9.100 1.00 0.00 C ATOM 1301 O PRO B 89 13.506 5.539 10.231 1.00 0.00 O ATOM 1302 CB PRO B 89 11.865 5.441 7.302 1.00 0.00 C ATOM 1303 CG PRO B 89 12.039 5.646 5.796 1.00 0.00 C ATOM 1304 CD PRO B 89 13.533 5.414 5.577 1.00 0.00 C ATOM 0 HA PRO B 89 13.150 6.899 8.288 1.00 0.00 H new ATOM 0 HB2 PRO B 89 11.646 4.400 7.538 1.00 0.00 H new ATOM 0 HB3 PRO B 89 11.039 6.037 7.691 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.435 4.943 5.222 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.739 6.648 5.490 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.734 4.374 5.320 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.907 6.024 4.755 1.00 0.00 H new