USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 16 CYS SG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 110:sc= 0.0653 USER MOD Single : B 22 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.6) USER MOD Single : B 30 LYS NZ :NH3+ -149:sc= 1.26 (180deg=0.931) 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+ 168:sc=-0.000934 (180deg=-0.214) USER MOD Single : B 49 ASN : amide:sc= -0.246 K(o=-0.25,f=-3.9!) USER MOD Single : B 72 SER OG : rot -27:sc= 0.36 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 13.368 -0.940 -0.795 1.00 0.00 N ATOM 139 CA CYS B 16 14.378 -0.247 -1.592 1.00 0.00 C ATOM 140 C CYS B 16 14.213 1.277 -1.635 1.00 0.00 C ATOM 141 O CYS B 16 14.986 1.951 -2.319 1.00 0.00 O ATOM 142 CB CYS B 16 14.422 -0.843 -2.997 1.00 0.00 C ATOM 143 SG CYS B 16 14.991 -2.559 -2.897 1.00 0.00 S ATOM 0 HA CYS B 16 15.333 -0.407 -1.092 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.433 -0.801 -3.454 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.091 -0.262 -3.631 1.00 0.00 H new ATOM 0 HG CYS B 16 15.029 -3.074 -4.090 1.00 0.00 H new ATOM 149 N ARG B 17 13.226 1.826 -0.925 1.00 0.00 N ATOM 150 CA ARG B 17 13.048 3.267 -0.844 1.00 0.00 C ATOM 151 C ARG B 17 13.942 3.886 0.219 1.00 0.00 C ATOM 152 O ARG B 17 14.217 3.269 1.249 1.00 0.00 O ATOM 153 CB ARG B 17 11.581 3.632 -0.600 1.00 0.00 C ATOM 154 CG ARG B 17 10.822 3.584 -1.927 1.00 0.00 C ATOM 155 CD ARG B 17 9.408 4.155 -1.785 1.00 0.00 C ATOM 156 NE ARG B 17 8.685 4.056 -3.059 1.00 0.00 N ATOM 157 CZ ARG B 17 8.716 4.993 -4.015 1.00 0.00 C ATOM 158 NH1 ARG B 17 9.410 6.117 -3.850 1.00 0.00 N ATOM 159 NH2 ARG B 17 8.049 4.803 -5.147 1.00 0.00 N ATOM 0 H ARG B 17 12.538 1.288 -0.398 1.00 0.00 H new ATOM 0 HA ARG B 17 13.345 3.682 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.135 2.938 0.113 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.510 4.628 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.370 4.149 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.766 2.554 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.867 3.613 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.460 5.197 -1.469 1.00 0.00 H new ATOM 0 HE ARG B 17 8.124 3.221 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.928 6.274 -2.986 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.423 6.821 -4.588 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.515 3.945 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG B 17 8.071 5.515 -5.877 1.00 0.00 H new ATOM 173 N ILE B 18 14.387 5.114 -0.042 1.00 0.00 N ATOM 174 CA ILE B 18 15.141 5.915 0.910 1.00 0.00 C ATOM 175 C ILE B 18 14.529 7.313 0.977 1.00 0.00 C ATOM 176 O ILE B 18 13.646 7.656 0.191 1.00 0.00 O ATOM 177 CB ILE B 18 16.622 5.987 0.509 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.814 6.774 -0.791 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.206 4.584 0.385 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.280 7.165 -0.970 1.00 0.00 C ATOM 0 H ILE B 18 14.230 5.583 -0.934 1.00 0.00 H new ATOM 0 HA ILE B 18 15.090 5.450 1.895 1.00 0.00 H new ATOM 0 HB ILE B 18 17.158 6.520 1.295 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.486 6.172 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.192 7.669 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.256 4.651 0.100 1.00 0.00 H new ATOM 0 HG22 ILE B 18 17.122 4.069 1.342 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.658 4.028 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.397 7.723 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.596 7.785 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.894 6.266 -1.008 1.00 0.00 H new ATOM 192 N TYR B 19 15.015 8.111 1.925 1.00 0.00 N ATOM 193 CA TYR B 19 14.532 9.460 2.172 1.00 0.00 C ATOM 194 C TYR B 19 15.598 10.540 2.033 1.00 0.00 C ATOM 195 O TYR B 19 16.778 10.300 2.289 1.00 0.00 O ATOM 196 CB TYR B 19 13.762 9.528 3.501 1.00 0.00 C ATOM 197 CG TYR B 19 13.838 10.862 4.212 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.819 11.821 4.069 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.941 11.131 5.034 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.905 13.044 4.755 1.00 0.00 C ATOM 201 CE2 TYR B 19 15.029 12.346 5.721 1.00 0.00 C ATOM 202 CZ TYR B 19 14.020 13.314 5.573 1.00 0.00 C ATOM 203 OH TYR B 19 14.135 14.503 6.225 1.00 0.00 O ATOM 0 H TYR B 19 15.769 7.830 2.552 1.00 0.00 H new ATOM 0 HA TYR B 19 13.828 9.692 1.372 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.715 9.293 3.310 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.146 8.755 4.167 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.971 11.617 3.432 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.726 10.397 5.137 1.00 0.00 H new ATOM 0 HE1 TYR B 19 12.117 13.776 4.655 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.873 12.541 6.366 1.00 0.00 H new ATOM 0 HH TYR B 19 14.017 14.361 7.187 1.00 0.00 H new ATOM 213 N VAL B 20 15.170 11.736 1.629 1.00 0.00 N ATOM 214 CA VAL B 20 16.045 12.882 1.453 1.00 0.00 C ATOM 215 C VAL B 20 15.376 14.130 2.012 1.00 0.00 C ATOM 216 O VAL B 20 14.165 14.291 1.868 1.00 0.00 O ATOM 217 CB VAL B 20 16.401 13.059 -0.029 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.490 14.121 -0.184 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.885 11.746 -0.645 1.00 0.00 C ATOM 0 H VAL B 20 14.193 11.933 1.414 1.00 0.00 H new ATOM 0 HA VAL B 20 16.973 12.715 2.000 1.00 0.00 H new ATOM 0 HB VAL B 20 15.499 13.376 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.736 14.239 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL B 20 17.131 15.070 0.214 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.380 13.812 0.363 1.00 0.00 H new ATOM 0 HG21 VAL B 20 17.129 11.905 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.772 11.401 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL B 20 16.099 10.995 -0.565 1.00 0.00 H new ATOM 229 N GLY B 21 16.146 15.014 2.650 1.00 0.00 N ATOM 230 CA GLY B 21 15.580 16.192 3.288 1.00 0.00 C ATOM 231 C GLY B 21 16.564 17.355 3.302 1.00 0.00 C ATOM 232 O GLY B 21 17.734 17.198 2.949 1.00 0.00 O ATOM 0 H GLY B 21 17.159 14.932 2.735 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.673 16.490 2.762 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.291 15.948 4.310 1.00 0.00 H new ATOM 236 N ASN B 22 16.070 18.525 3.715 1.00 0.00 N ATOM 237 CA ASN B 22 16.813 19.777 3.704 1.00 0.00 C ATOM 238 C ASN B 22 17.267 20.154 2.289 1.00 0.00 C ATOM 239 O ASN B 22 18.307 20.786 2.118 1.00 0.00 O ATOM 240 CB ASN B 22 17.992 19.698 4.680 1.00 0.00 C ATOM 241 CG ASN B 22 18.566 21.081 4.957 1.00 0.00 C ATOM 242 OD1 ASN B 22 17.832 22.066 5.026 1.00 0.00 O ATOM 243 ND2 ASN B 22 19.881 21.169 5.123 1.00 0.00 N ATOM 0 H ASN B 22 15.120 18.625 4.074 1.00 0.00 H new ATOM 0 HA ASN B 22 16.148 20.574 4.038 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.665 19.242 5.615 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.768 19.054 4.266 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.311 22.074 5.314 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.460 20.332 5.059 1.00 0.00 H new ATOM 250 N LEU B 23 16.487 19.768 1.273 1.00 0.00 N ATOM 251 CA LEU B 23 16.769 20.168 -0.096 1.00 0.00 C ATOM 252 C LEU B 23 16.640 21.688 -0.218 1.00 0.00 C ATOM 253 O LEU B 23 15.845 22.300 0.497 1.00 0.00 O ATOM 254 CB LEU B 23 15.802 19.459 -1.050 1.00 0.00 C ATOM 255 CG LEU B 23 16.023 17.944 -1.045 1.00 0.00 C ATOM 256 CD1 LEU B 23 14.916 17.274 -1.858 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.372 17.598 -1.676 1.00 0.00 C ATOM 0 H LEU B 23 15.660 19.181 1.380 1.00 0.00 H new ATOM 0 HA LEU B 23 17.786 19.882 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.775 19.679 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU B 23 15.937 19.845 -2.060 1.00 0.00 H new ATOM 0 HG LEU B 23 16.008 17.591 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.067 16.195 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU B 23 13.948 17.504 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.942 17.645 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.513 16.517 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.395 17.956 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.172 18.074 -1.109 1.00 0.00 H new ATOM 366 N LYS B 30 15.653 17.301 -11.943 1.00 0.00 N ATOM 367 CA LYS B 30 16.714 16.594 -12.647 1.00 0.00 C ATOM 368 C LYS B 30 17.893 16.304 -11.719 1.00 0.00 C ATOM 369 O LYS B 30 18.632 15.347 -11.939 1.00 0.00 O ATOM 370 CB LYS B 30 17.158 17.440 -13.850 1.00 0.00 C ATOM 371 CG LYS B 30 18.276 16.761 -14.654 1.00 0.00 C ATOM 372 CD LYS B 30 17.791 15.434 -15.246 1.00 0.00 C ATOM 373 CE LYS B 30 18.956 14.718 -15.929 1.00 0.00 C ATOM 374 NZ LYS B 30 18.501 13.460 -16.553 1.00 0.00 N ATOM 0 HA LYS B 30 16.337 15.633 -12.996 1.00 0.00 H new ATOM 0 HB2 LYS B 30 16.303 17.620 -14.501 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.503 18.413 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS B 30 18.607 17.422 -15.455 1.00 0.00 H new ATOM 0 HG3 LYS B 30 19.137 16.584 -14.010 1.00 0.00 H new ATOM 0 HD2 LYS B 30 17.375 14.804 -14.459 1.00 0.00 H new ATOM 0 HD3 LYS B 30 16.992 15.616 -15.965 1.00 0.00 H new ATOM 0 HE2 LYS B 30 19.395 15.368 -16.686 1.00 0.00 H new ATOM 0 HE3 LYS B 30 19.737 14.506 -15.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 19.275 12.765 -16.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 17.688 13.084 -16.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.219 13.643 -17.537 1.00 0.00 H new ATOM 388 N ASP B 31 18.077 17.122 -10.679 1.00 0.00 N ATOM 389 CA ASP B 31 19.207 16.966 -9.775 1.00 0.00 C ATOM 390 C ASP B 31 19.150 15.648 -9.006 1.00 0.00 C ATOM 391 O ASP B 31 20.186 15.086 -8.647 1.00 0.00 O ATOM 392 CB ASP B 31 19.260 18.145 -8.800 1.00 0.00 C ATOM 393 CG ASP B 31 19.563 19.470 -9.495 1.00 0.00 C ATOM 394 OD1 ASP B 31 19.893 19.436 -10.703 1.00 0.00 O ATOM 395 OD2 ASP B 31 19.462 20.510 -8.808 1.00 0.00 O ATOM 0 H ASP B 31 17.455 17.897 -10.447 1.00 0.00 H new ATOM 0 HA ASP B 31 20.114 16.949 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.306 18.223 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP B 31 20.022 17.953 -8.045 1.00 0.00 H new ATOM 400 N ILE B 32 17.934 15.155 -8.757 1.00 0.00 N ATOM 401 CA ILE B 32 17.739 13.917 -8.018 1.00 0.00 C ATOM 402 C ILE B 32 18.091 12.716 -8.898 1.00 0.00 C ATOM 403 O ILE B 32 18.373 11.637 -8.383 1.00 0.00 O ATOM 404 CB ILE B 32 16.286 13.836 -7.524 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.809 15.160 -6.910 1.00 0.00 C ATOM 406 CG2 ILE B 32 16.148 12.703 -6.503 1.00 0.00 C ATOM 407 CD1 ILE B 32 16.667 15.589 -5.716 1.00 0.00 C ATOM 0 H ILE B 32 17.069 15.602 -9.061 1.00 0.00 H new ATOM 0 HA ILE B 32 18.400 13.902 -7.152 1.00 0.00 H new ATOM 0 HB ILE B 32 15.654 13.633 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.833 15.940 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE B 32 14.772 15.057 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE B 32 15.116 12.650 -6.156 1.00 0.00 H new ATOM 0 HG22 ILE B 32 16.423 11.757 -6.970 1.00 0.00 H new ATOM 0 HG23 ILE B 32 16.806 12.895 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.290 16.531 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE B 32 16.623 14.823 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE B 32 17.700 15.719 -6.038 1.00 0.00 H new ATOM 419 N GLU B 33 18.079 12.895 -10.221 1.00 0.00 N ATOM 420 CA GLU B 33 18.407 11.819 -11.141 1.00 0.00 C ATOM 421 C GLU B 33 19.919 11.637 -11.209 1.00 0.00 C ATOM 422 O GLU B 33 20.408 10.522 -11.095 1.00 0.00 O ATOM 423 CB GLU B 33 17.860 12.126 -12.539 1.00 0.00 C ATOM 424 CG GLU B 33 16.339 12.273 -12.513 1.00 0.00 C ATOM 425 CD GLU B 33 15.758 12.374 -13.925 1.00 0.00 C ATOM 426 OE1 GLU B 33 16.560 12.379 -14.886 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.513 12.444 -14.028 1.00 0.00 O ATOM 0 H GLU B 33 17.844 13.779 -10.673 1.00 0.00 H new ATOM 0 HA GLU B 33 17.949 10.899 -10.778 1.00 0.00 H new ATOM 0 HB2 GLU B 33 18.311 13.044 -12.916 1.00 0.00 H new ATOM 0 HB3 GLU B 33 18.140 11.328 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU B 33 15.899 11.419 -11.998 1.00 0.00 H new ATOM 0 HG3 GLU B 33 16.069 13.162 -11.943 1.00 0.00 H new ATOM 434 N ASP B 34 20.659 12.732 -11.393 1.00 0.00 N ATOM 435 CA ASP B 34 22.100 12.651 -11.594 1.00 0.00 C ATOM 436 C ASP B 34 22.842 12.136 -10.366 1.00 0.00 C ATOM 437 O ASP B 34 23.725 11.286 -10.484 1.00 0.00 O ATOM 438 CB ASP B 34 22.644 14.011 -12.037 1.00 0.00 C ATOM 439 CG ASP B 34 22.198 14.387 -13.451 1.00 0.00 C ATOM 440 OD1 ASP B 34 22.512 15.530 -13.854 1.00 0.00 O ATOM 441 OD2 ASP B 34 21.555 13.542 -14.113 1.00 0.00 O ATOM 0 H ASP B 34 20.283 13.680 -11.406 1.00 0.00 H new ATOM 0 HA ASP B 34 22.277 11.920 -12.383 1.00 0.00 H new ATOM 0 HB2 ASP B 34 22.310 14.778 -11.338 1.00 0.00 H new ATOM 0 HB3 ASP B 34 23.733 13.994 -11.995 1.00 0.00 H new ATOM 446 N VAL B 35 22.489 12.644 -9.182 1.00 0.00 N ATOM 447 CA VAL B 35 23.186 12.268 -7.959 1.00 0.00 C ATOM 448 C VAL B 35 22.867 10.820 -7.606 1.00 0.00 C ATOM 449 O VAL B 35 23.772 10.011 -7.405 1.00 0.00 O ATOM 450 CB VAL B 35 22.776 13.214 -6.823 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.431 12.778 -5.511 1.00 0.00 C ATOM 452 CG2 VAL B 35 23.215 14.644 -7.144 1.00 0.00 C ATOM 0 H VAL B 35 21.729 13.312 -9.049 1.00 0.00 H new ATOM 0 HA VAL B 35 24.262 12.353 -8.109 1.00 0.00 H new ATOM 0 HB VAL B 35 21.691 13.178 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.133 13.457 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.113 11.765 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.515 12.801 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.919 15.307 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL B 35 24.298 14.675 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.741 14.971 -8.070 1.00 0.00 H new ATOM 462 N PHE B 36 21.580 10.484 -7.530 1.00 0.00 N ATOM 463 CA PHE B 36 21.194 9.155 -7.088 1.00 0.00 C ATOM 464 C PHE B 36 21.413 8.074 -8.143 1.00 0.00 C ATOM 465 O PHE B 36 21.570 6.904 -7.797 1.00 0.00 O ATOM 466 CB PHE B 36 19.774 9.168 -6.515 1.00 0.00 C ATOM 467 CG PHE B 36 19.695 9.881 -5.184 1.00 0.00 C ATOM 468 CD1 PHE B 36 20.028 9.209 -3.999 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.299 11.226 -5.135 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.975 9.884 -2.769 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.252 11.902 -3.909 1.00 0.00 C ATOM 472 CZ PHE B 36 19.591 11.231 -2.726 1.00 0.00 C ATOM 0 H PHE B 36 20.804 11.103 -7.765 1.00 0.00 H new ATOM 0 HA PHE B 36 21.869 8.875 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.104 9.653 -7.224 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.424 8.143 -6.396 1.00 0.00 H new ATOM 0 HD1 PHE B 36 20.325 8.171 -4.033 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.030 11.742 -6.045 1.00 0.00 H new ATOM 0 HE1 PHE B 36 20.230 9.365 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE B 36 18.955 12.940 -3.875 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.556 11.752 -1.781 1.00 0.00 H new ATOM 482 N SER B 37 21.437 8.447 -9.432 1.00 0.00 N ATOM 483 CA SER B 37 21.787 7.501 -10.484 1.00 0.00 C ATOM 484 C SER B 37 23.266 7.131 -10.385 1.00 0.00 C ATOM 485 O SER B 37 23.650 6.010 -10.716 1.00 0.00 O ATOM 486 CB SER B 37 21.481 8.091 -11.856 1.00 0.00 C ATOM 487 OG SER B 37 21.875 7.191 -12.873 1.00 0.00 O ATOM 0 H SER B 37 21.220 9.388 -9.761 1.00 0.00 H new ATOM 0 HA SER B 37 21.188 6.599 -10.355 1.00 0.00 H new ATOM 0 HB2 SER B 37 20.415 8.302 -11.940 1.00 0.00 H new ATOM 0 HB3 SER B 37 22.004 9.040 -11.977 1.00 0.00 H new ATOM 0 HG SER B 37 21.673 7.579 -13.750 1.00 0.00 H new ATOM 493 N LYS B 38 24.106 8.069 -9.924 1.00 0.00 N ATOM 494 CA LYS B 38 25.510 7.772 -9.685 1.00 0.00 C ATOM 495 C LYS B 38 25.643 6.809 -8.505 1.00 0.00 C ATOM 496 O LYS B 38 26.571 6.004 -8.461 1.00 0.00 O ATOM 497 CB LYS B 38 26.270 9.080 -9.437 1.00 0.00 C ATOM 498 CG LYS B 38 27.753 8.839 -9.130 1.00 0.00 C ATOM 499 CD LYS B 38 28.452 8.136 -10.296 1.00 0.00 C ATOM 500 CE LYS B 38 29.943 7.998 -9.978 1.00 0.00 C ATOM 501 NZ LYS B 38 30.660 7.339 -11.086 1.00 0.00 N ATOM 0 H LYS B 38 23.833 9.029 -9.713 1.00 0.00 H new ATOM 0 HA LYS B 38 25.944 7.286 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS B 38 26.182 9.721 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.810 9.613 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS B 38 28.245 9.791 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.847 8.234 -8.228 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.011 7.153 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS B 38 28.315 8.706 -11.215 1.00 0.00 H new ATOM 0 HE2 LYS B 38 30.373 8.983 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS B 38 30.072 7.421 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 31.669 7.257 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 30.263 6.390 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 30.555 7.904 -11.953 1.00 0.00 H new ATOM 515 N TYR B 39 24.713 6.887 -7.545 1.00 0.00 N ATOM 516 CA TYR B 39 24.676 5.944 -6.437 1.00 0.00 C ATOM 517 C TYR B 39 24.153 4.548 -6.779 1.00 0.00 C ATOM 518 O TYR B 39 24.426 3.598 -6.047 1.00 0.00 O ATOM 519 CB TYR B 39 23.961 6.549 -5.228 1.00 0.00 C ATOM 520 CG TYR B 39 24.840 7.485 -4.431 1.00 0.00 C ATOM 521 CD1 TYR B 39 24.668 8.875 -4.530 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.833 6.957 -3.592 1.00 0.00 C ATOM 523 CE1 TYR B 39 25.511 9.739 -3.817 1.00 0.00 C ATOM 524 CE2 TYR B 39 26.682 7.816 -2.879 1.00 0.00 C ATOM 525 CZ TYR B 39 26.525 9.211 -2.992 1.00 0.00 C ATOM 526 OH TYR B 39 27.355 10.050 -2.309 1.00 0.00 O ATOM 0 H TYR B 39 23.980 7.595 -7.519 1.00 0.00 H new ATOM 0 HA TYR B 39 25.720 5.770 -6.178 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.078 7.090 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.613 5.746 -4.579 1.00 0.00 H new ATOM 0 HD1 TYR B 39 23.886 9.279 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR B 39 25.944 5.887 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR B 39 25.384 10.808 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.455 7.408 -2.244 1.00 0.00 H new ATOM 0 HH TYR B 39 27.996 9.523 -1.787 1.00 0.00 H new ATOM 536 N GLY B 40 23.407 4.410 -7.881 1.00 0.00 N ATOM 537 CA GLY B 40 22.926 3.109 -8.326 1.00 0.00 C ATOM 538 C GLY B 40 21.727 3.237 -9.265 1.00 0.00 C ATOM 539 O GLY B 40 21.299 4.342 -9.593 1.00 0.00 O ATOM 0 H GLY B 40 23.126 5.188 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.731 2.579 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.647 2.509 -7.460 1.00 0.00 H new ATOM 543 N ALA B 41 21.185 2.094 -9.697 1.00 0.00 N ATOM 544 CA ALA B 41 20.057 2.066 -10.614 1.00 0.00 C ATOM 545 C ALA B 41 18.771 2.464 -9.888 1.00 0.00 C ATOM 546 O ALA B 41 18.382 1.830 -8.909 1.00 0.00 O ATOM 547 CB ALA B 41 19.933 0.669 -11.216 1.00 0.00 C ATOM 0 H ALA B 41 21.518 1.171 -9.419 1.00 0.00 H new ATOM 0 HA ALA B 41 20.222 2.784 -11.417 1.00 0.00 H new ATOM 0 HB1 ALA B 41 19.088 0.643 -11.904 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.848 0.422 -11.755 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.774 -0.058 -10.419 1.00 0.00 H new ATOM 553 N ILE B 42 18.109 3.514 -10.381 1.00 0.00 N ATOM 554 CA ILE B 42 16.889 4.033 -9.781 1.00 0.00 C ATOM 555 C ILE B 42 15.649 3.405 -10.418 1.00 0.00 C ATOM 556 O ILE B 42 15.600 3.210 -11.635 1.00 0.00 O ATOM 557 CB ILE B 42 16.862 5.560 -9.942 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.992 6.187 -9.112 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.510 6.122 -9.498 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.033 7.703 -9.303 1.00 0.00 C ATOM 0 H ILE B 42 18.410 4.026 -11.210 1.00 0.00 H new ATOM 0 HA ILE B 42 16.878 3.776 -8.722 1.00 0.00 H new ATOM 0 HB ILE B 42 17.009 5.806 -10.994 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.847 5.953 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE B 42 18.948 5.753 -9.406 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.509 7.205 -9.619 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.718 5.688 -10.108 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.339 5.874 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.842 8.123 -8.705 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.203 7.933 -10.355 1.00 0.00 H new ATOM 0 HD13 ILE B 42 17.084 8.136 -8.986 1.00 0.00 H new ATOM 572 N ARG B 43 14.644 3.091 -9.595 1.00 0.00 N ATOM 573 CA ARG B 43 13.327 2.682 -10.067 1.00 0.00 C ATOM 574 C ARG B 43 12.391 3.886 -10.139 1.00 0.00 C ATOM 575 O ARG B 43 11.585 3.984 -11.062 1.00 0.00 O ATOM 576 CB ARG B 43 12.706 1.669 -9.102 1.00 0.00 C ATOM 577 CG ARG B 43 13.407 0.313 -9.131 1.00 0.00 C ATOM 578 CD ARG B 43 12.606 -0.606 -8.210 1.00 0.00 C ATOM 579 NE ARG B 43 13.152 -1.964 -8.169 1.00 0.00 N ATOM 580 CZ ARG B 43 12.915 -2.817 -7.172 1.00 0.00 C ATOM 581 NH1 ARG B 43 12.141 -2.464 -6.147 1.00 0.00 N ATOM 582 NH2 ARG B 43 13.452 -4.036 -7.199 1.00 0.00 N ATOM 0 H ARG B 43 14.726 3.115 -8.579 1.00 0.00 H new ATOM 0 HA ARG B 43 13.452 2.238 -11.055 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.743 2.070 -8.089 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.654 1.534 -9.353 1.00 0.00 H new ATOM 0 HG2 ARG B 43 13.440 -0.086 -10.145 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.438 0.402 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG B 43 12.597 -0.190 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG B 43 11.571 -0.643 -8.548 1.00 0.00 H new ATOM 0 HE ARG B 43 13.743 -2.273 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG B 43 11.723 -1.534 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG B 43 11.966 -3.124 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG B 43 14.043 -4.316 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG B 43 13.272 -4.690 -6.437 1.00 0.00 H new ATOM 596 N ASP B 44 12.495 4.798 -9.167 1.00 0.00 N ATOM 597 CA ASP B 44 11.558 5.906 -9.062 1.00 0.00 C ATOM 598 C ASP B 44 12.180 7.084 -8.309 1.00 0.00 C ATOM 599 O ASP B 44 13.113 6.908 -7.529 1.00 0.00 O ATOM 600 CB ASP B 44 10.316 5.421 -8.310 1.00 0.00 C ATOM 601 CG ASP B 44 9.193 6.457 -8.310 1.00 0.00 C ATOM 602 OD1 ASP B 44 9.130 7.245 -9.282 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.409 6.448 -7.334 1.00 0.00 O ATOM 0 H ASP B 44 13.218 4.786 -8.447 1.00 0.00 H new ATOM 0 HA ASP B 44 11.295 6.245 -10.064 1.00 0.00 H new ATOM 0 HB2 ASP B 44 9.956 4.499 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP B 44 10.587 5.183 -7.281 1.00 0.00 H new ATOM 608 N ILE B 45 11.645 8.280 -8.555 1.00 0.00 N ATOM 609 CA ILE B 45 12.029 9.506 -7.867 1.00 0.00 C ATOM 610 C ILE B 45 10.769 10.248 -7.444 1.00 0.00 C ATOM 611 O ILE B 45 9.770 10.248 -8.166 1.00 0.00 O ATOM 612 CB ILE B 45 12.927 10.359 -8.776 1.00 0.00 C ATOM 613 CG1 ILE B 45 14.387 10.033 -8.461 1.00 0.00 C ATOM 614 CG2 ILE B 45 12.692 11.862 -8.580 1.00 0.00 C ATOM 615 CD1 ILE B 45 15.297 10.478 -9.605 1.00 0.00 C ATOM 0 H ILE B 45 10.917 8.423 -9.254 1.00 0.00 H new ATOM 0 HA ILE B 45 12.606 9.276 -6.971 1.00 0.00 H new ATOM 0 HB ILE B 45 12.684 10.122 -9.812 1.00 0.00 H new ATOM 0 HG12 ILE B 45 14.685 10.530 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE B 45 14.498 8.961 -8.296 1.00 0.00 H new ATOM 0 HG21 ILE B 45 13.350 12.423 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.654 12.101 -8.811 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.905 12.132 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE B 45 16.332 10.237 -9.362 1.00 0.00 H new ATOM 0 HD12 ILE B 45 15.010 9.961 -10.521 1.00 0.00 H new ATOM 0 HD13 ILE B 45 15.199 11.554 -9.750 1.00 0.00 H new ATOM 627 N ASP B 46 10.812 10.881 -6.271 1.00 0.00 N ATOM 628 CA ASP B 46 9.644 11.526 -5.706 1.00 0.00 C ATOM 629 C ASP B 46 10.017 12.799 -4.951 1.00 0.00 C ATOM 630 O ASP B 46 9.846 12.880 -3.735 1.00 0.00 O ATOM 631 CB ASP B 46 8.920 10.527 -4.812 1.00 0.00 C ATOM 632 CG ASP B 46 7.658 11.117 -4.186 1.00 0.00 C ATOM 633 OD1 ASP B 46 7.227 10.564 -3.149 1.00 0.00 O ATOM 634 OD2 ASP B 46 7.134 12.109 -4.741 1.00 0.00 O ATOM 0 H ASP B 46 11.652 10.956 -5.697 1.00 0.00 H new ATOM 0 HA ASP B 46 8.976 11.836 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.655 9.646 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.594 10.195 -4.022 1.00 0.00 H new ATOM 639 N LEU B 47 10.531 13.802 -5.673 1.00 0.00 N ATOM 640 CA LEU B 47 10.699 15.131 -5.100 1.00 0.00 C ATOM 641 C LEU B 47 9.331 15.625 -4.630 1.00 0.00 C ATOM 642 O LEU B 47 8.342 15.491 -5.356 1.00 0.00 O ATOM 643 CB LEU B 47 11.324 16.060 -6.142 1.00 0.00 C ATOM 644 CG LEU B 47 11.390 17.507 -5.648 1.00 0.00 C ATOM 645 CD1 LEU B 47 12.313 17.624 -4.436 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.932 18.396 -6.763 1.00 0.00 C ATOM 0 H LEU B 47 10.833 13.715 -6.643 1.00 0.00 H new ATOM 0 HA LEU B 47 11.372 15.110 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU B 47 12.329 15.712 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.742 16.017 -7.063 1.00 0.00 H new ATOM 0 HG LEU B 47 10.386 17.821 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU B 47 12.345 18.661 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.937 16.994 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU B 47 13.317 17.300 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.980 19.428 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.930 18.060 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.273 18.336 -7.629 1.00 0.00 H new ATOM 658 N LYS B 48 9.262 16.194 -3.422 1.00 0.00 N ATOM 659 CA LYS B 48 7.983 16.478 -2.783 1.00 0.00 C ATOM 660 C LYS B 48 8.034 17.793 -2.000 1.00 0.00 C ATOM 661 O LYS B 48 9.110 18.320 -1.722 1.00 0.00 O ATOM 662 CB LYS B 48 7.632 15.282 -1.892 1.00 0.00 C ATOM 663 CG LYS B 48 6.189 15.332 -1.396 1.00 0.00 C ATOM 664 CD LYS B 48 5.816 13.959 -0.835 1.00 0.00 C ATOM 665 CE LYS B 48 4.398 13.972 -0.268 1.00 0.00 C ATOM 666 NZ LYS B 48 3.403 14.282 -1.310 1.00 0.00 N ATOM 0 H LYS B 48 10.077 16.465 -2.872 1.00 0.00 H new ATOM 0 HA LYS B 48 7.203 16.612 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.791 14.358 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS B 48 8.307 15.259 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS B 48 6.080 16.097 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.518 15.602 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.891 13.207 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS B 48 6.522 13.676 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.173 13.002 0.174 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.331 14.710 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.448 14.086 -0.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.475 15.286 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 3.583 13.693 -2.148 1.00 0.00 H new ATOM 680 N ASN B 49 6.857 18.319 -1.650 1.00 0.00 N ATOM 681 CA ASN B 49 6.718 19.625 -1.031 1.00 0.00 C ATOM 682 C ASN B 49 5.604 19.609 0.025 1.00 0.00 C ATOM 683 O ASN B 49 5.278 18.551 0.562 1.00 0.00 O ATOM 684 CB ASN B 49 6.453 20.664 -2.130 1.00 0.00 C ATOM 685 CG ASN B 49 5.201 20.361 -2.949 1.00 0.00 C ATOM 686 OD1 ASN B 49 4.512 19.373 -2.709 1.00 0.00 O ATOM 687 ND2 ASN B 49 4.904 21.214 -3.923 1.00 0.00 N ATOM 0 H ASN B 49 5.969 17.839 -1.793 1.00 0.00 H new ATOM 0 HA ASN B 49 7.638 19.892 -0.511 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.353 21.649 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN B 49 7.314 20.707 -2.796 1.00 0.00 H new ATOM 0 HD21 ASN B 49 4.079 21.059 -4.502 1.00 0.00 H new ATOM 0 HD22 ASN B 49 5.501 22.024 -4.092 1.00 0.00 H new ATOM 770 N PRO B 55 11.849 21.631 1.491 1.00 0.00 N ATOM 771 CA PRO B 55 11.318 20.514 0.731 1.00 0.00 C ATOM 772 C PRO B 55 12.097 19.232 1.039 1.00 0.00 C ATOM 773 O PRO B 55 13.168 19.277 1.648 1.00 0.00 O ATOM 774 CB PRO B 55 11.455 20.908 -0.741 1.00 0.00 C ATOM 775 CG PRO B 55 12.550 21.978 -0.752 1.00 0.00 C ATOM 776 CD PRO B 55 12.434 22.634 0.623 1.00 0.00 C ATOM 0 HA PRO B 55 10.278 20.309 0.987 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.731 20.052 -1.357 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.517 21.296 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.536 21.539 -0.904 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.395 22.700 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.411 22.947 0.990 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.809 23.526 0.579 1.00 0.00 H new ATOM 784 N PHE B 56 11.552 18.088 0.615 1.00 0.00 N ATOM 785 CA PHE B 56 12.137 16.787 0.912 1.00 0.00 C ATOM 786 C PHE B 56 11.707 15.855 -0.221 1.00 0.00 C ATOM 787 O PHE B 56 10.907 16.239 -1.075 1.00 0.00 O ATOM 788 CB PHE B 56 11.579 16.310 2.254 1.00 0.00 C ATOM 789 CG PHE B 56 10.191 15.705 2.210 1.00 0.00 C ATOM 790 CD1 PHE B 56 10.019 14.353 2.531 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.079 16.490 1.871 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.736 13.795 2.555 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.793 15.921 1.868 1.00 0.00 C ATOM 794 CZ PHE B 56 7.624 14.574 2.216 1.00 0.00 C ATOM 0 H PHE B 56 10.698 18.042 0.060 1.00 0.00 H new ATOM 0 HA PHE B 56 13.224 16.817 0.982 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.264 15.571 2.670 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.565 17.155 2.942 1.00 0.00 H new ATOM 0 HD1 PHE B 56 10.878 13.740 2.760 1.00 0.00 H new ATOM 0 HD2 PHE B 56 9.210 17.530 1.613 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.604 12.761 2.836 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.937 16.521 1.598 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.636 14.137 2.223 1.00 0.00 H new ATOM 804 N ALA B 57 12.236 14.629 -0.244 1.00 0.00 N ATOM 805 CA ALA B 57 11.984 13.716 -1.346 1.00 0.00 C ATOM 806 C ALA B 57 12.174 12.257 -0.939 1.00 0.00 C ATOM 807 O ALA B 57 12.710 11.962 0.129 1.00 0.00 O ATOM 808 CB ALA B 57 12.939 14.060 -2.491 1.00 0.00 C ATOM 0 H ALA B 57 12.838 14.253 0.488 1.00 0.00 H new ATOM 0 HA ALA B 57 10.946 13.832 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.763 13.383 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.766 15.087 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.969 13.955 -2.150 1.00 0.00 H new ATOM 814 N PHE B 58 11.731 11.349 -1.813 1.00 0.00 N ATOM 815 CA PHE B 58 11.985 9.921 -1.690 1.00 0.00 C ATOM 816 C PHE B 58 12.588 9.384 -2.983 1.00 0.00 C ATOM 817 O PHE B 58 12.415 9.980 -4.050 1.00 0.00 O ATOM 818 CB PHE B 58 10.697 9.174 -1.332 1.00 0.00 C ATOM 819 CG PHE B 58 10.095 9.575 -0.006 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.715 9.197 1.192 1.00 0.00 C ATOM 821 CD2 PHE B 58 8.910 10.322 0.026 1.00 0.00 C ATOM 822 CE1 PHE B 58 10.155 9.575 2.418 1.00 0.00 C ATOM 823 CE2 PHE B 58 8.365 10.721 1.252 1.00 0.00 C ATOM 824 CZ PHE B 58 8.986 10.344 2.448 1.00 0.00 C ATOM 0 H PHE B 58 11.179 11.594 -2.635 1.00 0.00 H new ATOM 0 HA PHE B 58 12.700 9.758 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.961 9.344 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.904 8.104 -1.315 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.624 8.615 1.170 1.00 0.00 H new ATOM 0 HD2 PHE B 58 8.416 10.590 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.626 9.273 3.342 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.466 11.319 1.275 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.563 10.647 3.395 1.00 0.00 H new ATOM 834 N VAL B 59 13.296 8.257 -2.892 1.00 0.00 N ATOM 835 CA VAL B 59 13.942 7.632 -4.034 1.00 0.00 C ATOM 836 C VAL B 59 13.842 6.123 -3.857 1.00 0.00 C ATOM 837 O VAL B 59 13.970 5.636 -2.736 1.00 0.00 O ATOM 838 CB VAL B 59 15.412 8.065 -4.079 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.190 7.235 -5.102 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.527 9.542 -4.456 1.00 0.00 C ATOM 0 H VAL B 59 13.435 7.754 -2.016 1.00 0.00 H new ATOM 0 HA VAL B 59 13.463 7.930 -4.967 1.00 0.00 H new ATOM 0 HB VAL B 59 15.832 7.907 -3.086 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.231 7.559 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.142 6.181 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.752 7.373 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.578 9.830 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.082 9.703 -5.438 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.003 10.148 -3.717 1.00 0.00 H new ATOM 850 N GLU B 60 13.623 5.383 -4.946 1.00 0.00 N ATOM 851 CA GLU B 60 13.575 3.928 -4.881 1.00 0.00 C ATOM 852 C GLU B 60 14.668 3.330 -5.758 1.00 0.00 C ATOM 853 O GLU B 60 14.748 3.640 -6.945 1.00 0.00 O ATOM 854 CB GLU B 60 12.197 3.425 -5.323 1.00 0.00 C ATOM 855 CG GLU B 60 12.134 1.904 -5.166 1.00 0.00 C ATOM 856 CD GLU B 60 10.791 1.325 -5.616 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.867 2.127 -5.881 1.00 0.00 O ATOM 858 OE2 GLU B 60 10.707 0.076 -5.692 1.00 0.00 O ATOM 0 H GLU B 60 13.477 5.769 -5.879 1.00 0.00 H new ATOM 0 HA GLU B 60 13.744 3.613 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.417 3.896 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU B 60 12.013 3.702 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.936 1.448 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.308 1.642 -4.122 1.00 0.00 H new ATOM 865 N PHE B 61 15.507 2.475 -5.168 1.00 0.00 N ATOM 866 CA PHE B 61 16.527 1.745 -5.910 1.00 0.00 C ATOM 867 C PHE B 61 16.085 0.396 -6.470 1.00 0.00 C ATOM 868 O PHE B 61 15.087 -0.172 -6.026 1.00 0.00 O ATOM 869 CB PHE B 61 17.801 1.625 -5.083 1.00 0.00 C ATOM 870 CG PHE B 61 18.581 2.912 -5.045 1.00 0.00 C ATOM 871 CD1 PHE B 61 18.429 3.784 -3.964 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.447 3.237 -6.099 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.139 4.989 -3.936 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.151 4.446 -6.079 1.00 0.00 C ATOM 875 CZ PHE B 61 20.001 5.322 -4.993 1.00 0.00 C ATOM 0 H PHE B 61 15.496 2.273 -4.168 1.00 0.00 H new ATOM 0 HA PHE B 61 16.726 2.344 -6.799 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.545 1.328 -4.066 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.427 0.835 -5.497 1.00 0.00 H new ATOM 0 HD1 PHE B 61 17.765 3.528 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.571 2.554 -6.926 1.00 0.00 H new ATOM 0 HE1 PHE B 61 19.024 5.664 -3.101 1.00 0.00 H new ATOM 0 HE2 PHE B 61 20.808 4.704 -6.897 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.549 6.253 -4.970 1.00 0.00 H new ATOM 885 N GLU B 62 16.837 -0.118 -7.450 1.00 0.00 N ATOM 886 CA GLU B 62 16.591 -1.438 -8.013 1.00 0.00 C ATOM 887 C GLU B 62 16.994 -2.529 -7.020 1.00 0.00 C ATOM 888 O GLU B 62 16.488 -3.646 -7.090 1.00 0.00 O ATOM 889 CB GLU B 62 17.370 -1.560 -9.329 1.00 0.00 C ATOM 890 CG GLU B 62 17.349 -2.979 -9.913 1.00 0.00 C ATOM 891 CD GLU B 62 15.943 -3.456 -10.284 1.00 0.00 C ATOM 892 OE1 GLU B 62 14.989 -2.660 -10.139 1.00 0.00 O ATOM 893 OE2 GLU B 62 15.837 -4.626 -10.716 1.00 0.00 O ATOM 0 H GLU B 62 17.628 0.371 -7.869 1.00 0.00 H new ATOM 0 HA GLU B 62 15.528 -1.567 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.950 -0.867 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.404 -1.258 -9.161 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.982 -3.010 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.781 -3.670 -9.189 1.00 0.00 H new ATOM 900 N ASP B 63 17.907 -2.196 -6.098 1.00 0.00 N ATOM 901 CA ASP B 63 18.411 -3.106 -5.080 1.00 0.00 C ATOM 902 C ASP B 63 18.689 -2.397 -3.755 1.00 0.00 C ATOM 903 O ASP B 63 18.995 -1.205 -3.749 1.00 0.00 O ATOM 904 CB ASP B 63 19.662 -3.836 -5.587 1.00 0.00 C ATOM 905 CG ASP B 63 19.332 -4.958 -6.568 1.00 0.00 C ATOM 906 OD1 ASP B 63 18.331 -5.669 -6.327 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.093 -5.089 -7.557 1.00 0.00 O ATOM 0 H ASP B 63 18.320 -1.265 -6.044 1.00 0.00 H new ATOM 0 HA ASP B 63 17.631 -3.842 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.325 -3.119 -6.071 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.206 -4.250 -4.738 1.00 0.00 H new ATOM 912 N PRO B 64 18.593 -3.114 -2.628 1.00 0.00 N ATOM 913 CA PRO B 64 18.855 -2.555 -1.313 1.00 0.00 C ATOM 914 C PRO B 64 20.339 -2.229 -1.153 1.00 0.00 C ATOM 915 O PRO B 64 20.716 -1.454 -0.273 1.00 0.00 O ATOM 916 CB PRO B 64 18.414 -3.632 -0.321 1.00 0.00 C ATOM 917 CG PRO B 64 18.515 -4.936 -1.115 1.00 0.00 C ATOM 918 CD PRO B 64 18.223 -4.512 -2.549 1.00 0.00 C ATOM 0 HA PRO B 64 18.318 -1.620 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.057 -3.650 0.559 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.397 -3.457 0.031 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.504 -5.384 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.796 -5.676 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.796 -5.109 -3.258 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.170 -4.652 -2.792 1.00 0.00 H new ATOM 926 N ARG B 65 21.187 -2.818 -2.006 1.00 0.00 N ATOM 927 CA ARG B 65 22.619 -2.555 -1.995 1.00 0.00 C ATOM 928 C ARG B 65 22.891 -1.130 -2.465 1.00 0.00 C ATOM 929 O ARG B 65 23.751 -0.448 -1.913 1.00 0.00 O ATOM 930 CB ARG B 65 23.315 -3.568 -2.909 1.00 0.00 C ATOM 931 CG ARG B 65 24.810 -3.255 -3.033 1.00 0.00 C ATOM 932 CD ARG B 65 25.458 -4.246 -3.992 1.00 0.00 C ATOM 933 NE ARG B 65 26.882 -3.946 -4.181 1.00 0.00 N ATOM 934 CZ ARG B 65 27.340 -2.974 -4.976 1.00 0.00 C ATOM 935 NH1 ARG B 65 26.498 -2.197 -5.654 1.00 0.00 N ATOM 936 NH2 ARG B 65 28.651 -2.775 -5.092 1.00 0.00 N ATOM 0 H ARG B 65 20.894 -3.487 -2.718 1.00 0.00 H new ATOM 0 HA ARG B 65 23.008 -2.658 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.182 -4.574 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG B 65 22.853 -3.551 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG B 65 24.951 -2.237 -3.395 1.00 0.00 H new ATOM 0 HG3 ARG B 65 25.287 -3.314 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG B 65 25.345 -5.258 -3.604 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.946 -4.214 -4.954 1.00 0.00 H new ATOM 0 HE ARG B 65 27.563 -4.513 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG B 65 25.492 -2.340 -5.570 1.00 0.00 H new ATOM 0 HH12 ARG B 65 26.859 -1.458 -6.258 1.00 0.00 H new ATOM 0 HH21 ARG B 65 29.304 -3.364 -4.575 1.00 0.00 H new ATOM 0 HH22 ARG B 65 29.003 -2.034 -5.698 1.00 0.00 H new ATOM 950 N ASP B 66 22.156 -0.676 -3.484 1.00 0.00 N ATOM 951 CA ASP B 66 22.330 0.664 -4.012 1.00 0.00 C ATOM 952 C ASP B 66 21.705 1.713 -3.101 1.00 0.00 C ATOM 953 O ASP B 66 22.129 2.867 -3.088 1.00 0.00 O ATOM 954 CB ASP B 66 21.742 0.746 -5.424 1.00 0.00 C ATOM 955 CG ASP B 66 22.497 -0.118 -6.433 1.00 0.00 C ATOM 956 OD1 ASP B 66 22.081 -0.102 -7.612 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.476 -0.780 -6.023 1.00 0.00 O ATOM 0 H ASP B 66 21.436 -1.224 -3.955 1.00 0.00 H new ATOM 0 HA ASP B 66 23.398 0.876 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP B 66 20.698 0.435 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP B 66 21.756 1.783 -5.759 1.00 0.00 H new ATOM 962 N ALA B 67 20.691 1.308 -2.329 1.00 0.00 N ATOM 963 CA ALA B 67 20.054 2.190 -1.366 1.00 0.00 C ATOM 964 C ALA B 67 20.991 2.433 -0.186 1.00 0.00 C ATOM 965 O ALA B 67 21.026 3.534 0.359 1.00 0.00 O ATOM 966 CB ALA B 67 18.748 1.552 -0.899 1.00 0.00 C ATOM 0 H ALA B 67 20.297 0.368 -2.359 1.00 0.00 H new ATOM 0 HA ALA B 67 19.835 3.152 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA B 67 18.262 2.206 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.089 1.404 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA B 67 18.959 0.590 -0.433 1.00 0.00 H new ATOM 972 N GLU B 68 21.752 1.409 0.207 1.00 0.00 N ATOM 973 CA GLU B 68 22.706 1.527 1.299 1.00 0.00 C ATOM 974 C GLU B 68 23.872 2.425 0.892 1.00 0.00 C ATOM 975 O GLU B 68 24.440 3.123 1.730 1.00 0.00 O ATOM 976 CB GLU B 68 23.188 0.125 1.683 1.00 0.00 C ATOM 977 CG GLU B 68 24.329 0.164 2.710 1.00 0.00 C ATOM 978 CD GLU B 68 23.887 0.719 4.066 1.00 0.00 C ATOM 979 OE1 GLU B 68 24.773 0.864 4.938 1.00 0.00 O ATOM 980 OE2 GLU B 68 22.675 0.992 4.224 1.00 0.00 O ATOM 0 H GLU B 68 21.721 0.484 -0.222 1.00 0.00 H new ATOM 0 HA GLU B 68 22.229 1.988 2.164 1.00 0.00 H new ATOM 0 HB2 GLU B 68 22.353 -0.445 2.091 1.00 0.00 H new ATOM 0 HB3 GLU B 68 23.525 -0.399 0.789 1.00 0.00 H new ATOM 0 HG2 GLU B 68 24.724 -0.843 2.846 1.00 0.00 H new ATOM 0 HG3 GLU B 68 25.142 0.776 2.320 1.00 0.00 H new ATOM 987 N ASP B 69 24.230 2.412 -0.395 1.00 0.00 N ATOM 988 CA ASP B 69 25.328 3.223 -0.901 1.00 0.00 C ATOM 989 C ASP B 69 25.008 4.715 -0.934 1.00 0.00 C ATOM 990 O ASP B 69 25.884 5.542 -0.683 1.00 0.00 O ATOM 991 CB ASP B 69 25.761 2.723 -2.285 1.00 0.00 C ATOM 992 CG ASP B 69 26.520 1.395 -2.220 1.00 0.00 C ATOM 993 OD1 ASP B 69 26.788 0.925 -1.090 1.00 0.00 O ATOM 994 OD2 ASP B 69 26.824 0.861 -3.309 1.00 0.00 O ATOM 0 H ASP B 69 23.769 1.843 -1.105 1.00 0.00 H new ATOM 0 HA ASP B 69 26.156 3.108 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP B 69 24.880 2.603 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP B 69 26.392 3.475 -2.758 1.00 0.00 H new ATOM 999 N ALA B 70 23.754 5.062 -1.240 1.00 0.00 N ATOM 1000 CA ALA B 70 23.326 6.450 -1.266 1.00 0.00 C ATOM 1001 C ALA B 70 23.250 7.000 0.153 1.00 0.00 C ATOM 1002 O ALA B 70 23.509 8.183 0.372 1.00 0.00 O ATOM 1003 CB ALA B 70 21.965 6.536 -1.951 1.00 0.00 C ATOM 0 H ALA B 70 23.021 4.392 -1.473 1.00 0.00 H new ATOM 0 HA ALA B 70 24.046 7.049 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.635 7.575 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.046 6.157 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.241 5.938 -1.398 1.00 0.00 H new ATOM 1009 N VAL B 71 22.902 6.147 1.119 1.00 0.00 N ATOM 1010 CA VAL B 71 22.813 6.551 2.516 1.00 0.00 C ATOM 1011 C VAL B 71 24.212 6.578 3.134 1.00 0.00 C ATOM 1012 O VAL B 71 24.472 7.369 4.038 1.00 0.00 O ATOM 1013 CB VAL B 71 21.890 5.578 3.260 1.00 0.00 C ATOM 1014 CG1 VAL B 71 21.936 5.820 4.770 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.455 5.764 2.766 1.00 0.00 C ATOM 0 H VAL B 71 22.677 5.166 0.953 1.00 0.00 H new ATOM 0 HA VAL B 71 22.394 7.554 2.594 1.00 0.00 H new ATOM 0 HB VAL B 71 22.231 4.562 3.061 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.272 5.116 5.272 1.00 0.00 H new ATOM 0 HG12 VAL B 71 22.955 5.678 5.130 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.614 6.839 4.985 1.00 0.00 H new ATOM 0 HG21 VAL B 71 19.796 5.074 3.293 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.134 6.788 2.957 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.410 5.563 1.696 1.00 0.00 H new ATOM 1025 N SER B 72 25.110 5.717 2.649 1.00 0.00 N ATOM 1026 CA SER B 72 26.480 5.656 3.131 1.00 0.00 C ATOM 1027 C SER B 72 27.325 6.766 2.499 1.00 0.00 C ATOM 1028 O SER B 72 28.466 6.989 2.904 1.00 0.00 O ATOM 1029 CB SER B 72 27.061 4.277 2.811 1.00 0.00 C ATOM 1030 OG SER B 72 28.387 4.177 3.278 1.00 0.00 O ATOM 0 H SER B 72 24.901 5.045 1.911 1.00 0.00 H new ATOM 0 HA SER B 72 26.493 5.808 4.210 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.448 3.502 3.272 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.035 4.106 1.735 1.00 0.00 H new ATOM 0 HG SER B 72 28.792 5.069 3.305 1.00 0.00 H new ATOM 1036 N GLY B 73 26.770 7.465 1.502 1.00 0.00 N ATOM 1037 CA GLY B 73 27.469 8.530 0.798 1.00 0.00 C ATOM 1038 C GLY B 73 27.735 9.720 1.719 1.00 0.00 C ATOM 1039 O GLY B 73 28.856 9.906 2.190 1.00 0.00 O ATOM 0 H GLY B 73 25.821 7.303 1.165 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.413 8.152 0.406 1.00 0.00 H new ATOM 0 HA3 GLY B 73 26.876 8.854 -0.057 1.00 0.00 H new ATOM 1043 N ARG B 74 26.700 10.524 1.974 1.00 0.00 N ATOM 1044 CA ARG B 74 26.805 11.677 2.856 1.00 0.00 C ATOM 1045 C ARG B 74 25.428 12.035 3.400 1.00 0.00 C ATOM 1046 O ARG B 74 24.461 12.125 2.645 1.00 0.00 O ATOM 1047 CB ARG B 74 27.418 12.851 2.081 1.00 0.00 C ATOM 1048 CG ARG B 74 27.509 14.142 2.903 1.00 0.00 C ATOM 1049 CD ARG B 74 28.563 14.051 4.011 1.00 0.00 C ATOM 1050 NE ARG B 74 28.042 13.374 5.208 1.00 0.00 N ATOM 1051 CZ ARG B 74 28.652 12.363 5.836 1.00 0.00 C ATOM 1052 NH1 ARG B 74 29.824 11.899 5.407 1.00 0.00 N ATOM 1053 NH2 ARG B 74 28.081 11.811 6.902 1.00 0.00 N ATOM 0 H ARG B 74 25.771 10.391 1.574 1.00 0.00 H new ATOM 0 HA ARG B 74 27.452 11.444 3.702 1.00 0.00 H new ATOM 0 HB2 ARG B 74 28.416 12.572 1.744 1.00 0.00 H new ATOM 0 HB3 ARG B 74 26.821 13.039 1.188 1.00 0.00 H new ATOM 0 HG2 ARG B 74 27.750 14.975 2.242 1.00 0.00 H new ATOM 0 HG3 ARG B 74 26.537 14.358 3.346 1.00 0.00 H new ATOM 0 HD2 ARG B 74 29.435 13.512 3.640 1.00 0.00 H new ATOM 0 HD3 ARG B 74 28.897 15.054 4.277 1.00 0.00 H new ATOM 0 HE ARG B 74 27.152 13.699 5.586 1.00 0.00 H new ATOM 0 HH11 ARG B 74 30.269 12.315 4.589 1.00 0.00 H new ATOM 0 HH12 ARG B 74 30.277 11.127 5.896 1.00 0.00 H new ATOM 0 HH21 ARG B 74 27.182 12.159 7.237 1.00 0.00 H new ATOM 0 HH22 ARG B 74 28.541 11.040 7.385 1.00 0.00 H new ATOM 1067 N ASP B 75 25.345 12.240 4.716 1.00 0.00 N ATOM 1068 CA ASP B 75 24.123 12.651 5.389 1.00 0.00 C ATOM 1069 C ASP B 75 24.486 13.414 6.662 1.00 0.00 C ATOM 1070 O ASP B 75 25.645 13.421 7.082 1.00 0.00 O ATOM 1071 CB ASP B 75 23.271 11.420 5.727 1.00 0.00 C ATOM 1072 CG ASP B 75 23.960 10.432 6.675 1.00 0.00 C ATOM 1073 OD1 ASP B 75 25.163 10.620 6.961 1.00 0.00 O ATOM 1074 OD2 ASP B 75 23.263 9.488 7.111 1.00 0.00 O ATOM 0 H ASP B 75 26.137 12.122 5.347 1.00 0.00 H new ATOM 0 HA ASP B 75 23.543 13.301 4.733 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.335 11.750 6.179 1.00 0.00 H new ATOM 0 HB3 ASP B 75 23.014 10.903 4.803 1.00 0.00 H new ATOM 1079 N GLY B 76 23.491 14.060 7.277 1.00 0.00 N ATOM 1080 CA GLY B 76 23.666 14.720 8.563 1.00 0.00 C ATOM 1081 C GLY B 76 24.755 15.789 8.503 1.00 0.00 C ATOM 1082 O GLY B 76 25.549 15.915 9.433 1.00 0.00 O ATOM 0 H GLY B 76 22.548 14.137 6.895 1.00 0.00 H new ATOM 0 HA2 GLY B 76 22.725 15.176 8.870 1.00 0.00 H new ATOM 0 HA3 GLY B 76 23.923 13.980 9.320 1.00 0.00 H new ATOM 1086 N TYR B 77 24.800 16.560 7.411 1.00 0.00 N ATOM 1087 CA TYR B 77 25.885 17.494 7.175 1.00 0.00 C ATOM 1088 C TYR B 77 25.557 18.929 7.564 1.00 0.00 C ATOM 1089 O TYR B 77 24.495 19.440 7.220 1.00 0.00 O ATOM 1090 CB TYR B 77 26.428 17.358 5.752 1.00 0.00 C ATOM 1091 CG TYR B 77 27.315 18.506 5.323 1.00 0.00 C ATOM 1092 CD1 TYR B 77 28.583 18.661 5.907 1.00 0.00 C ATOM 1093 CD2 TYR B 77 26.877 19.405 4.337 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.413 19.719 5.512 1.00 0.00 C ATOM 1095 CE2 TYR B 77 27.704 20.467 3.938 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.975 20.626 4.525 1.00 0.00 C ATOM 1097 OH TYR B 77 29.786 21.653 4.139 1.00 0.00 O ATOM 0 H TYR B 77 24.090 16.549 6.679 1.00 0.00 H new ATOM 0 HA TYR B 77 26.691 17.216 7.854 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.991 16.428 5.676 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.590 17.281 5.059 1.00 0.00 H new ATOM 0 HD1 TYR B 77 28.919 17.964 6.661 1.00 0.00 H new ATOM 0 HD2 TYR B 77 25.904 19.279 3.886 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.387 19.840 5.963 1.00 0.00 H new ATOM 0 HE2 TYR B 77 27.367 21.161 3.182 1.00 0.00 H new ATOM 0 HH TYR B 77 29.335 22.185 3.450 1.00 0.00 H new ATOM 1107 N ASP B 78 26.477 19.567 8.284 1.00 0.00 N ATOM 1108 CA ASP B 78 26.313 20.920 8.780 1.00 0.00 C ATOM 1109 C ASP B 78 26.168 21.940 7.650 1.00 0.00 C ATOM 1110 O ASP B 78 27.138 22.265 6.965 1.00 0.00 O ATOM 1111 CB ASP B 78 27.479 21.264 9.716 1.00 0.00 C ATOM 1112 CG ASP B 78 27.531 22.746 10.090 1.00 0.00 C ATOM 1113 OD1 ASP B 78 28.633 23.200 10.467 1.00 0.00 O ATOM 1114 OD2 ASP B 78 26.476 23.410 10.003 1.00 0.00 O ATOM 0 H ASP B 78 27.370 19.146 8.540 1.00 0.00 H new ATOM 0 HA ASP B 78 25.381 20.970 9.344 1.00 0.00 H new ATOM 0 HB2 ASP B 78 27.395 20.669 10.625 1.00 0.00 H new ATOM 0 HB3 ASP B 78 28.417 20.983 9.237 1.00 0.00 H new ATOM 1119 N TYR B 79 24.944 22.439 7.466 1.00 0.00 N ATOM 1120 CA TYR B 79 24.628 23.441 6.466 1.00 0.00 C ATOM 1121 C TYR B 79 24.199 24.759 7.113 1.00 0.00 C ATOM 1122 O TYR B 79 23.983 24.818 8.322 1.00 0.00 O ATOM 1123 CB TYR B 79 23.582 22.875 5.505 1.00 0.00 C ATOM 1124 CG TYR B 79 23.025 23.865 4.510 1.00 0.00 C ATOM 1125 CD1 TYR B 79 21.899 24.631 4.840 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.637 24.016 3.257 1.00 0.00 C ATOM 1127 CE1 TYR B 79 21.372 25.544 3.918 1.00 0.00 C ATOM 1128 CE2 TYR B 79 23.117 24.929 2.327 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.979 25.696 2.654 1.00 0.00 C ATOM 1130 OH TYR B 79 21.471 26.585 1.753 1.00 0.00 O ATOM 0 H TYR B 79 24.138 22.149 8.020 1.00 0.00 H new ATOM 0 HA TYR B 79 25.521 23.679 5.888 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.026 22.044 4.957 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.757 22.467 6.089 1.00 0.00 H new ATOM 0 HD1 TYR B 79 21.436 24.517 5.809 1.00 0.00 H new ATOM 0 HD2 TYR B 79 24.509 23.429 3.008 1.00 0.00 H new ATOM 0 HE1 TYR B 79 20.502 26.131 4.174 1.00 0.00 H new ATOM 0 HE2 TYR B 79 23.588 25.044 1.362 1.00 0.00 H new ATOM 0 HH TYR B 79 22.009 26.565 0.934 1.00 0.00 H new ATOM 1140 N ASP B 80 24.073 25.818 6.313 1.00 0.00 N ATOM 1141 CA ASP B 80 23.696 27.130 6.815 1.00 0.00 C ATOM 1142 C ASP B 80 22.322 27.122 7.500 1.00 0.00 C ATOM 1143 O ASP B 80 21.288 27.148 6.831 1.00 0.00 O ATOM 1144 CB ASP B 80 23.761 28.155 5.677 1.00 0.00 C ATOM 1145 CG ASP B 80 23.185 29.511 6.083 1.00 0.00 C ATOM 1146 OD1 ASP B 80 22.827 30.278 5.164 1.00 0.00 O ATOM 1147 OD2 ASP B 80 23.109 29.769 7.304 1.00 0.00 O ATOM 0 H ASP B 80 24.229 25.787 5.306 1.00 0.00 H new ATOM 0 HA ASP B 80 24.410 27.417 7.587 1.00 0.00 H new ATOM 0 HB2 ASP B 80 24.797 28.282 5.364 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.213 27.773 4.816 1.00 0.00 H new ATOM 1152 N GLY B 81 22.320 27.087 8.839 1.00 0.00 N ATOM 1153 CA GLY B 81 21.101 27.113 9.635 1.00 0.00 C ATOM 1154 C GLY B 81 20.368 25.770 9.646 1.00 0.00 C ATOM 1155 O GLY B 81 19.379 25.621 10.360 1.00 0.00 O ATOM 0 H GLY B 81 23.173 27.040 9.397 1.00 0.00 H new ATOM 0 HA2 GLY B 81 21.348 27.395 10.659 1.00 0.00 H new ATOM 0 HA3 GLY B 81 20.434 27.882 9.244 1.00 0.00 H new ATOM 1159 N TYR B 82 20.840 24.793 8.862 1.00 0.00 N ATOM 1160 CA TYR B 82 20.200 23.484 8.759 1.00 0.00 C ATOM 1161 C TYR B 82 21.201 22.325 8.690 1.00 0.00 C ATOM 1162 O TYR B 82 22.395 22.516 8.902 1.00 0.00 O ATOM 1163 CB TYR B 82 19.221 23.476 7.581 1.00 0.00 C ATOM 1164 CG TYR B 82 18.010 24.362 7.769 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.098 25.726 7.459 1.00 0.00 C ATOM 1166 CD2 TYR B 82 16.806 23.823 8.243 1.00 0.00 C ATOM 1167 CE1 TYR B 82 16.979 26.558 7.618 1.00 0.00 C ATOM 1168 CE2 TYR B 82 15.682 24.647 8.405 1.00 0.00 C ATOM 1169 CZ TYR B 82 15.764 26.019 8.091 1.00 0.00 C ATOM 1170 OH TYR B 82 14.673 26.821 8.250 1.00 0.00 O ATOM 0 H TYR B 82 21.675 24.891 8.284 1.00 0.00 H new ATOM 0 HA TYR B 82 19.641 23.317 9.679 1.00 0.00 H new ATOM 0 HB2 TYR B 82 19.751 23.791 6.682 1.00 0.00 H new ATOM 0 HB3 TYR B 82 18.885 22.453 7.411 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.029 26.138 7.097 1.00 0.00 H new ATOM 0 HD2 TYR B 82 16.743 22.772 8.484 1.00 0.00 H new ATOM 0 HE1 TYR B 82 17.048 27.609 7.379 1.00 0.00 H new ATOM 0 HE2 TYR B 82 14.755 24.231 8.770 1.00 0.00 H new ATOM 0 HH TYR B 82 13.921 26.288 8.583 1.00 0.00 H new ATOM 1180 N ARG B 83 20.702 21.121 8.399 1.00 0.00 N ATOM 1181 CA ARG B 83 21.505 19.908 8.336 1.00 0.00 C ATOM 1182 C ARG B 83 20.903 18.970 7.300 1.00 0.00 C ATOM 1183 O ARG B 83 19.703 18.710 7.328 1.00 0.00 O ATOM 1184 CB ARG B 83 21.545 19.279 9.734 1.00 0.00 C ATOM 1185 CG ARG B 83 22.466 18.063 9.775 1.00 0.00 C ATOM 1186 CD ARG B 83 22.580 17.583 11.224 1.00 0.00 C ATOM 1187 NE ARG B 83 23.544 16.482 11.347 1.00 0.00 N ATOM 1188 CZ ARG B 83 23.344 15.379 12.076 1.00 0.00 C ATOM 1189 NH1 ARG B 83 22.214 15.208 12.754 1.00 0.00 N ATOM 1190 NH2 ARG B 83 24.285 14.443 12.120 1.00 0.00 N ATOM 0 H ARG B 83 19.714 20.964 8.198 1.00 0.00 H new ATOM 0 HA ARG B 83 22.529 20.123 8.031 1.00 0.00 H new ATOM 0 HB2 ARG B 83 21.886 20.019 10.457 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.538 18.984 10.030 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.070 17.268 9.143 1.00 0.00 H new ATOM 0 HG3 ARG B 83 23.450 18.321 9.384 1.00 0.00 H new ATOM 0 HD2 ARG B 83 22.888 18.412 11.861 1.00 0.00 H new ATOM 0 HD3 ARG B 83 21.603 17.255 11.579 1.00 0.00 H new ATOM 0 HE ARG B 83 24.426 16.564 10.842 1.00 0.00 H new ATOM 0 HH11 ARG B 83 21.487 15.923 12.722 1.00 0.00 H new ATOM 0 HH12 ARG B 83 22.074 14.362 13.306 1.00 0.00 H new ATOM 0 HH21 ARG B 83 25.153 14.568 11.600 1.00 0.00 H new ATOM 0 HH22 ARG B 83 24.139 13.599 12.674 1.00 0.00 H new ATOM 1204 N LEU B 84 21.734 18.465 6.385 1.00 0.00 N ATOM 1205 CA LEU B 84 21.274 17.616 5.289 1.00 0.00 C ATOM 1206 C LEU B 84 20.774 16.280 5.840 1.00 0.00 C ATOM 1207 O LEU B 84 21.269 15.809 6.863 1.00 0.00 O ATOM 1208 CB LEU B 84 22.425 17.366 4.297 1.00 0.00 C ATOM 1209 CG LEU B 84 22.696 18.533 3.336 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.479 18.813 2.453 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.082 19.810 4.081 1.00 0.00 C ATOM 0 H LEU B 84 22.740 18.633 6.385 1.00 0.00 H new ATOM 0 HA LEU B 84 20.458 18.121 4.771 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.335 17.155 4.860 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.198 16.474 3.712 1.00 0.00 H new ATOM 0 HG LEU B 84 23.536 18.231 2.710 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.699 19.644 1.783 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.244 17.925 1.866 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.625 19.070 3.081 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.265 20.609 3.363 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.271 20.101 4.749 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.986 19.632 4.664 1.00 0.00 H new ATOM 1223 N ARG B 85 19.796 15.667 5.159 1.00 0.00 N ATOM 1224 CA ARG B 85 19.366 14.317 5.501 1.00 0.00 C ATOM 1225 C ARG B 85 19.337 13.435 4.259 1.00 0.00 C ATOM 1226 O ARG B 85 18.768 13.811 3.238 1.00 0.00 O ATOM 1227 CB ARG B 85 17.983 14.320 6.158 1.00 0.00 C ATOM 1228 CG ARG B 85 17.877 15.282 7.344 1.00 0.00 C ATOM 1229 CD ARG B 85 17.415 16.659 6.873 1.00 0.00 C ATOM 1230 NE ARG B 85 17.123 17.533 8.015 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.975 17.496 8.698 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.021 16.635 8.362 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.784 18.325 9.720 1.00 0.00 N ATOM 0 H ARG B 85 19.295 16.086 4.375 1.00 0.00 H new ATOM 0 HA ARG B 85 20.086 13.916 6.214 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.235 14.590 5.412 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.747 13.311 6.496 1.00 0.00 H new ATOM 0 HG2 ARG B 85 17.175 14.888 8.079 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.844 15.366 7.840 1.00 0.00 H new ATOM 0 HD2 ARG B 85 18.187 17.113 6.251 1.00 0.00 H new ATOM 0 HD3 ARG B 85 16.525 16.556 6.252 1.00 0.00 H new ATOM 0 HE ARG B 85 17.834 18.205 8.303 1.00 0.00 H new ATOM 0 HH11 ARG B 85 15.162 15.997 7.579 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.147 16.612 8.887 1.00 0.00 H new ATOM 0 HH21 ARG B 85 16.513 18.988 9.982 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.908 18.298 10.242 1.00 0.00 H new ATOM 1247 N VAL B 86 19.958 12.257 4.367 1.00 0.00 N ATOM 1248 CA VAL B 86 19.927 11.222 3.339 1.00 0.00 C ATOM 1249 C VAL B 86 19.926 9.850 4.005 1.00 0.00 C ATOM 1250 O VAL B 86 20.967 9.201 4.106 1.00 0.00 O ATOM 1251 CB VAL B 86 21.105 11.367 2.361 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.925 10.395 1.193 1.00 0.00 C ATOM 1253 CG2 VAL B 86 21.211 12.786 1.804 1.00 0.00 C ATOM 0 H VAL B 86 20.505 11.995 5.187 1.00 0.00 H new ATOM 0 HA VAL B 86 19.015 11.333 2.753 1.00 0.00 H new ATOM 0 HB VAL B 86 22.018 11.144 2.913 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.761 10.499 0.501 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.892 9.373 1.572 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.993 10.619 0.673 1.00 0.00 H new ATOM 0 HG21 VAL B 86 22.056 12.845 1.118 1.00 0.00 H new ATOM 0 HG22 VAL B 86 20.293 13.038 1.273 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.360 13.489 2.624 1.00 0.00 H new ATOM 1263 N GLU B 87 18.755 9.409 4.470 1.00 0.00 N ATOM 1264 CA GLU B 87 18.626 8.166 5.221 1.00 0.00 C ATOM 1265 C GLU B 87 17.311 7.465 4.898 1.00 0.00 C ATOM 1266 O GLU B 87 16.435 8.047 4.267 1.00 0.00 O ATOM 1267 CB GLU B 87 18.725 8.466 6.724 1.00 0.00 C ATOM 1268 CG GLU B 87 17.579 9.375 7.178 1.00 0.00 C ATOM 1269 CD GLU B 87 17.628 9.646 8.683 1.00 0.00 C ATOM 1270 OE1 GLU B 87 16.757 10.413 9.151 1.00 0.00 O ATOM 1271 OE2 GLU B 87 18.527 9.086 9.347 1.00 0.00 O ATOM 0 H GLU B 87 17.874 9.905 4.335 1.00 0.00 H new ATOM 0 HA GLU B 87 19.436 7.495 4.934 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.699 7.533 7.287 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.681 8.943 6.941 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.629 10.320 6.637 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.626 8.912 6.923 1.00 0.00 H new ATOM 1278 N PHE B 88 17.176 6.209 5.331 1.00 0.00 N ATOM 1279 CA PHE B 88 15.967 5.428 5.112 1.00 0.00 C ATOM 1280 C PHE B 88 14.726 5.998 5.802 1.00 0.00 C ATOM 1281 O PHE B 88 14.852 6.684 6.821 1.00 0.00 O ATOM 1282 CB PHE B 88 16.203 3.974 5.525 1.00 0.00 C ATOM 1283 CG PHE B 88 17.054 3.180 4.558 1.00 0.00 C ATOM 1284 CD1 PHE B 88 16.445 2.459 3.518 1.00 0.00 C ATOM 1285 CD2 PHE B 88 18.447 3.161 4.701 1.00 0.00 C ATOM 1286 CE1 PHE B 88 17.233 1.717 2.625 1.00 0.00 C ATOM 1287 CE2 PHE B 88 19.234 2.422 3.807 1.00 0.00 C ATOM 1288 CZ PHE B 88 18.629 1.700 2.772 1.00 0.00 C ATOM 0 H PHE B 88 17.904 5.710 5.842 1.00 0.00 H new ATOM 0 HA PHE B 88 15.754 5.479 4.044 1.00 0.00 H new ATOM 0 HB2 PHE B 88 16.679 3.960 6.505 1.00 0.00 H new ATOM 0 HB3 PHE B 88 15.238 3.478 5.633 1.00 0.00 H new ATOM 0 HD1 PHE B 88 15.371 2.476 3.406 1.00 0.00 H new ATOM 0 HD2 PHE B 88 18.915 3.716 5.501 1.00 0.00 H new ATOM 0 HE1 PHE B 88 16.766 1.160 1.826 1.00 0.00 H new ATOM 0 HE2 PHE B 88 20.308 2.410 3.917 1.00 0.00 H new ATOM 0 HZ PHE B 88 19.237 1.129 2.086 1.00 0.00 H new ATOM 1298 N PRO B 89 13.529 5.726 5.265 1.00 0.00 N ATOM 1299 CA PRO B 89 12.266 6.116 5.870 1.00 0.00 C ATOM 1300 C PRO B 89 12.035 5.368 7.180 1.00 0.00 C ATOM 1301 O PRO B 89 11.483 5.999 8.109 1.00 0.00 O ATOM 1302 CB PRO B 89 11.192 5.777 4.834 1.00 0.00 C ATOM 1303 CG PRO B 89 11.830 4.673 3.988 1.00 0.00 C ATOM 1304 CD PRO B 89 13.315 5.004 4.028 1.00 0.00 C ATOM 0 HA PRO B 89 12.249 7.176 6.124 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.273 5.435 5.309 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.934 6.645 4.228 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.628 3.685 4.401 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.446 4.677 2.968 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.918 4.097 3.996 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.603 5.609 3.168 1.00 0.00 H new