USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 16 CYS SG : rot 180:sc= -0.424 USER MOD Single : B 19 TYR OH : rot 180:sc= -0.0311 USER MOD Single : B 22 ASN : amide:sc= -1.86 K(o=-1.9,f=-3.7!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -168:sc= -0.006 (180deg=-0.132) USER MOD Single : B 49 ASN : amide:sc= -0.208 K(o=-0.21,f=-3.4!) USER MOD Single : B 72 SER OG : rot 85:sc= 0.552 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 14.018 -0.836 -0.111 1.00 0.00 N ATOM 139 CA CYS B 16 14.646 -0.100 -1.196 1.00 0.00 C ATOM 140 C CYS B 16 14.320 1.394 -1.098 1.00 0.00 C ATOM 141 O CYS B 16 14.963 2.210 -1.755 1.00 0.00 O ATOM 142 CB CYS B 16 14.155 -0.657 -2.530 1.00 0.00 C ATOM 143 SG CYS B 16 14.571 -2.420 -2.624 1.00 0.00 S ATOM 0 HA CYS B 16 15.727 -0.216 -1.125 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.078 -0.519 -2.622 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.617 -0.117 -3.356 1.00 0.00 H new ATOM 0 HG CYS B 16 14.155 -2.904 -3.756 1.00 0.00 H new ATOM 149 N ARG B 17 13.323 1.753 -0.283 1.00 0.00 N ATOM 150 CA ARG B 17 12.940 3.139 -0.094 1.00 0.00 C ATOM 151 C ARG B 17 13.830 3.786 0.966 1.00 0.00 C ATOM 152 O ARG B 17 14.341 3.104 1.850 1.00 0.00 O ATOM 153 CB ARG B 17 11.476 3.188 0.338 1.00 0.00 C ATOM 154 CG ARG B 17 10.843 4.506 -0.110 1.00 0.00 C ATOM 155 CD ARG B 17 9.511 4.710 0.610 1.00 0.00 C ATOM 156 NE ARG B 17 8.640 3.538 0.480 1.00 0.00 N ATOM 157 CZ ARG B 17 7.889 3.059 1.476 1.00 0.00 C ATOM 158 NH1 ARG B 17 7.854 3.665 2.659 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.167 1.959 1.284 1.00 0.00 N ATOM 0 H ARG B 17 12.768 1.089 0.257 1.00 0.00 H new ATOM 0 HA ARG B 17 13.063 3.690 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.932 2.348 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.404 3.090 1.421 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.516 5.336 0.108 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.686 4.497 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.695 4.912 1.665 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.007 5.586 0.201 1.00 0.00 H new ATOM 0 HE ARG B 17 8.605 3.062 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.406 4.508 2.817 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.275 3.287 3.409 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.189 1.486 0.381 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.592 1.588 2.040 1.00 0.00 H new ATOM 173 N ILE B 18 14.012 5.103 0.873 1.00 0.00 N ATOM 174 CA ILE B 18 14.762 5.867 1.861 1.00 0.00 C ATOM 175 C ILE B 18 14.012 7.152 2.183 1.00 0.00 C ATOM 176 O ILE B 18 12.930 7.404 1.654 1.00 0.00 O ATOM 177 CB ILE B 18 16.177 6.178 1.345 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.162 7.251 0.247 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.863 4.912 0.842 1.00 0.00 C ATOM 180 CD1 ILE B 18 17.567 7.805 0.011 1.00 0.00 C ATOM 0 H ILE B 18 13.642 5.668 0.109 1.00 0.00 H new ATOM 0 HA ILE B 18 14.861 5.275 2.771 1.00 0.00 H new ATOM 0 HB ILE B 18 16.746 6.573 2.186 1.00 0.00 H new ATOM 0 HG12 ILE B 18 15.774 6.826 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE B 18 15.490 8.060 0.532 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.862 5.158 0.482 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.938 4.191 1.656 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.280 4.481 0.028 1.00 0.00 H new ATOM 0 HD11 ILE B 18 17.532 8.564 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE B 18 17.942 8.250 0.932 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.230 6.996 -0.297 1.00 0.00 H new ATOM 192 N TYR B 19 14.607 7.957 3.059 1.00 0.00 N ATOM 193 CA TYR B 19 14.077 9.255 3.450 1.00 0.00 C ATOM 194 C TYR B 19 15.056 10.394 3.191 1.00 0.00 C ATOM 195 O TYR B 19 16.271 10.201 3.260 1.00 0.00 O ATOM 196 CB TYR B 19 13.520 9.210 4.877 1.00 0.00 C ATOM 197 CG TYR B 19 13.562 10.528 5.628 1.00 0.00 C ATOM 198 CD1 TYR B 19 14.719 10.879 6.339 1.00 0.00 C ATOM 199 CD2 TYR B 19 12.451 11.387 5.628 1.00 0.00 C ATOM 200 CE1 TYR B 19 14.764 12.076 7.064 1.00 0.00 C ATOM 201 CE2 TYR B 19 12.491 12.588 6.357 1.00 0.00 C ATOM 202 CZ TYR B 19 13.649 12.938 7.073 1.00 0.00 C ATOM 203 OH TYR B 19 13.694 14.104 7.777 1.00 0.00 O ATOM 0 H TYR B 19 15.484 7.720 3.523 1.00 0.00 H new ATOM 0 HA TYR B 19 13.231 9.484 2.802 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.486 8.866 4.836 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.080 8.468 5.446 1.00 0.00 H new ATOM 0 HD1 TYR B 19 15.578 10.224 6.327 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.566 11.125 5.068 1.00 0.00 H new ATOM 0 HE1 TYR B 19 15.654 12.339 7.617 1.00 0.00 H new ATOM 0 HE2 TYR B 19 11.632 13.242 6.367 1.00 0.00 H new ATOM 0 HH TYR B 19 12.843 14.580 7.676 1.00 0.00 H new ATOM 213 N VAL B 20 14.536 11.584 2.892 1.00 0.00 N ATOM 214 CA VAL B 20 15.372 12.723 2.555 1.00 0.00 C ATOM 215 C VAL B 20 14.855 13.988 3.224 1.00 0.00 C ATOM 216 O VAL B 20 14.028 14.698 2.658 1.00 0.00 O ATOM 217 CB VAL B 20 15.461 12.894 1.031 1.00 0.00 C ATOM 218 CG1 VAL B 20 16.504 13.957 0.694 1.00 0.00 C ATOM 219 CG2 VAL B 20 15.843 11.581 0.352 1.00 0.00 C ATOM 0 H VAL B 20 13.535 11.779 2.878 1.00 0.00 H new ATOM 0 HA VAL B 20 16.378 12.537 2.931 1.00 0.00 H new ATOM 0 HB VAL B 20 14.481 13.202 0.665 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.565 14.077 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.217 14.905 1.148 1.00 0.00 H new ATOM 0 HG13 VAL B 20 17.475 13.649 1.081 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.899 11.732 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL B 20 16.813 11.248 0.722 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.091 10.824 0.574 1.00 0.00 H new ATOM 229 N GLY B 21 15.344 14.271 4.435 1.00 0.00 N ATOM 230 CA GLY B 21 15.021 15.503 5.132 1.00 0.00 C ATOM 231 C GLY B 21 15.894 16.632 4.601 1.00 0.00 C ATOM 232 O GLY B 21 17.046 16.398 4.232 1.00 0.00 O ATOM 0 H GLY B 21 15.970 13.652 4.950 1.00 0.00 H new ATOM 0 HA2 GLY B 21 13.968 15.747 4.992 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.180 15.379 6.203 1.00 0.00 H new ATOM 236 N ASN B 22 15.348 17.852 4.565 1.00 0.00 N ATOM 237 CA ASN B 22 16.027 19.004 3.984 1.00 0.00 C ATOM 238 C ASN B 22 16.371 18.733 2.513 1.00 0.00 C ATOM 239 O ASN B 22 15.933 17.736 1.936 1.00 0.00 O ATOM 240 CB ASN B 22 17.280 19.310 4.815 1.00 0.00 C ATOM 241 CG ASN B 22 17.746 20.750 4.634 1.00 0.00 C ATOM 242 OD1 ASN B 22 16.979 21.615 4.224 1.00 0.00 O ATOM 243 ND2 ASN B 22 19.014 21.009 4.935 1.00 0.00 N ATOM 0 H ASN B 22 14.423 18.064 4.939 1.00 0.00 H new ATOM 0 HA ASN B 22 15.373 19.876 4.005 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.070 19.126 5.869 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.082 18.630 4.526 1.00 0.00 H new ATOM 0 HD21 ASN B 22 19.381 21.955 4.828 1.00 0.00 H new ATOM 0 HD22 ASN B 22 19.621 20.262 5.273 1.00 0.00 H new ATOM 250 N LEU B 23 17.156 19.625 1.901 1.00 0.00 N ATOM 251 CA LEU B 23 17.607 19.456 0.529 1.00 0.00 C ATOM 252 C LEU B 23 19.039 19.984 0.377 1.00 0.00 C ATOM 253 O LEU B 23 19.428 20.916 1.079 1.00 0.00 O ATOM 254 CB LEU B 23 16.626 20.136 -0.438 1.00 0.00 C ATOM 255 CG LEU B 23 16.824 21.655 -0.550 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.922 22.181 -1.662 1.00 0.00 C ATOM 257 CD2 LEU B 23 16.454 22.369 0.750 1.00 0.00 C ATOM 0 H LEU B 23 17.492 20.479 2.346 1.00 0.00 H new ATOM 0 HA LEU B 23 17.625 18.396 0.277 1.00 0.00 H new ATOM 0 HB2 LEU B 23 16.736 19.690 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU B 23 15.607 19.934 -0.109 1.00 0.00 H new ATOM 0 HG LEU B 23 17.875 21.848 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU B 23 16.050 23.259 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU B 23 16.188 21.701 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.882 21.959 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU B 23 16.607 23.442 0.632 1.00 0.00 H new ATOM 0 HD22 LEU B 23 15.408 22.176 0.986 1.00 0.00 H new ATOM 0 HD23 LEU B 23 17.083 21.999 1.560 1.00 0.00 H new ATOM 366 N LYS B 30 16.009 17.444 -11.061 1.00 0.00 N ATOM 367 CA LYS B 30 16.188 16.174 -11.754 1.00 0.00 C ATOM 368 C LYS B 30 17.334 15.386 -11.118 1.00 0.00 C ATOM 369 O LYS B 30 17.549 14.223 -11.444 1.00 0.00 O ATOM 370 CB LYS B 30 16.479 16.466 -13.229 1.00 0.00 C ATOM 371 CG LYS B 30 16.326 15.205 -14.085 1.00 0.00 C ATOM 372 CD LYS B 30 16.959 15.406 -15.463 1.00 0.00 C ATOM 373 CE LYS B 30 18.470 15.543 -15.306 1.00 0.00 C ATOM 374 NZ LYS B 30 19.145 15.518 -16.616 1.00 0.00 N ATOM 0 HA LYS B 30 15.285 15.569 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.800 17.238 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.491 16.858 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS B 30 16.797 14.360 -13.583 1.00 0.00 H new ATOM 0 HG3 LYS B 30 15.269 14.961 -14.197 1.00 0.00 H new ATOM 0 HD2 LYS B 30 16.724 14.562 -16.111 1.00 0.00 H new ATOM 0 HD3 LYS B 30 16.549 16.297 -15.938 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.702 16.476 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS B 30 18.849 14.733 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 20.172 15.613 -16.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 18.941 14.617 -17.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.799 16.306 -17.200 1.00 0.00 H new ATOM 388 N ASP B 31 18.072 16.020 -10.203 1.00 0.00 N ATOM 389 CA ASP B 31 19.200 15.386 -9.544 1.00 0.00 C ATOM 390 C ASP B 31 18.815 14.116 -8.786 1.00 0.00 C ATOM 391 O ASP B 31 19.661 13.253 -8.561 1.00 0.00 O ATOM 392 CB ASP B 31 19.895 16.403 -8.632 1.00 0.00 C ATOM 393 CG ASP B 31 20.692 17.424 -9.439 1.00 0.00 C ATOM 394 OD1 ASP B 31 20.881 17.187 -10.652 1.00 0.00 O ATOM 395 OD2 ASP B 31 21.106 18.437 -8.830 1.00 0.00 O ATOM 0 H ASP B 31 17.900 16.980 -9.905 1.00 0.00 H new ATOM 0 HA ASP B 31 19.897 15.060 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP B 31 19.150 16.918 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP B 31 20.561 15.881 -7.944 1.00 0.00 H new ATOM 400 N ILE B 32 17.543 13.998 -8.398 1.00 0.00 N ATOM 401 CA ILE B 32 17.046 12.834 -7.677 1.00 0.00 C ATOM 402 C ILE B 32 16.895 11.636 -8.623 1.00 0.00 C ATOM 403 O ILE B 32 16.805 10.500 -8.164 1.00 0.00 O ATOM 404 CB ILE B 32 15.712 13.183 -7.000 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.798 14.514 -6.231 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.291 12.059 -6.049 1.00 0.00 C ATOM 407 CD1 ILE B 32 16.896 14.495 -5.162 1.00 0.00 C ATOM 0 H ILE B 32 16.833 14.708 -8.577 1.00 0.00 H new ATOM 0 HA ILE B 32 17.764 12.552 -6.907 1.00 0.00 H new ATOM 0 HB ILE B 32 14.963 13.294 -7.784 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.991 15.325 -6.933 1.00 0.00 H new ATOM 0 HG13 ILE B 32 14.838 14.722 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.344 12.319 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.174 11.132 -6.610 1.00 0.00 H new ATOM 0 HG23 ILE B 32 16.055 11.925 -5.283 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.918 15.455 -4.646 1.00 0.00 H new ATOM 0 HD12 ILE B 32 16.690 13.702 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE B 32 17.861 14.315 -5.635 1.00 0.00 H new ATOM 419 N GLU B 33 16.869 11.880 -9.940 1.00 0.00 N ATOM 420 CA GLU B 33 16.760 10.811 -10.923 1.00 0.00 C ATOM 421 C GLU B 33 17.884 10.898 -11.956 1.00 0.00 C ATOM 422 O GLU B 33 17.825 10.239 -12.994 1.00 0.00 O ATOM 423 CB GLU B 33 15.371 10.825 -11.573 1.00 0.00 C ATOM 424 CG GLU B 33 15.088 12.148 -12.289 1.00 0.00 C ATOM 425 CD GLU B 33 13.692 12.169 -12.912 1.00 0.00 C ATOM 426 OE1 GLU B 33 13.303 13.252 -13.404 1.00 0.00 O ATOM 427 OE2 GLU B 33 13.025 11.111 -12.891 1.00 0.00 O ATOM 0 H GLU B 33 16.923 12.815 -10.344 1.00 0.00 H new ATOM 0 HA GLU B 33 16.875 9.853 -10.415 1.00 0.00 H new ATOM 0 HB2 GLU B 33 15.296 10.004 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU B 33 14.611 10.656 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU B 33 15.183 12.972 -11.581 1.00 0.00 H new ATOM 0 HG3 GLU B 33 15.835 12.308 -13.066 1.00 0.00 H new ATOM 434 N ASP B 34 18.914 11.704 -11.676 1.00 0.00 N ATOM 435 CA ASP B 34 20.111 11.760 -12.505 1.00 0.00 C ATOM 436 C ASP B 34 21.386 11.574 -11.679 1.00 0.00 C ATOM 437 O ASP B 34 22.138 10.626 -11.903 1.00 0.00 O ATOM 438 CB ASP B 34 20.107 13.048 -13.341 1.00 0.00 C ATOM 439 CG ASP B 34 21.427 13.314 -14.072 1.00 0.00 C ATOM 440 OD1 ASP B 34 22.241 12.374 -14.185 1.00 0.00 O ATOM 441 OD2 ASP B 34 21.605 14.471 -14.511 1.00 0.00 O ATOM 0 H ASP B 34 18.936 12.331 -10.872 1.00 0.00 H new ATOM 0 HA ASP B 34 20.100 10.922 -13.202 1.00 0.00 H new ATOM 0 HB2 ASP B 34 19.302 12.992 -14.073 1.00 0.00 H new ATOM 0 HB3 ASP B 34 19.887 13.893 -12.689 1.00 0.00 H new ATOM 446 N VAL B 35 21.639 12.469 -10.719 1.00 0.00 N ATOM 447 CA VAL B 35 22.827 12.358 -9.881 1.00 0.00 C ATOM 448 C VAL B 35 22.673 11.153 -8.962 1.00 0.00 C ATOM 449 O VAL B 35 23.540 10.278 -8.911 1.00 0.00 O ATOM 450 CB VAL B 35 23.022 13.646 -9.075 1.00 0.00 C ATOM 451 CG1 VAL B 35 24.220 13.505 -8.136 1.00 0.00 C ATOM 452 CG2 VAL B 35 23.261 14.823 -10.023 1.00 0.00 C ATOM 0 H VAL B 35 21.042 13.268 -10.508 1.00 0.00 H new ATOM 0 HA VAL B 35 23.711 12.217 -10.503 1.00 0.00 H new ATOM 0 HB VAL B 35 22.122 13.827 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL B 35 24.348 14.427 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL B 35 24.048 12.677 -7.448 1.00 0.00 H new ATOM 0 HG13 VAL B 35 25.119 13.311 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL B 35 23.399 15.735 -9.443 1.00 0.00 H new ATOM 0 HG22 VAL B 35 24.153 14.634 -10.620 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.401 14.939 -10.683 1.00 0.00 H new ATOM 462 N PHE B 36 21.560 11.099 -8.230 1.00 0.00 N ATOM 463 CA PHE B 36 21.272 9.955 -7.390 1.00 0.00 C ATOM 464 C PHE B 36 21.047 8.670 -8.181 1.00 0.00 C ATOM 465 O PHE B 36 21.151 7.571 -7.636 1.00 0.00 O ATOM 466 CB PHE B 36 20.133 10.272 -6.423 1.00 0.00 C ATOM 467 CG PHE B 36 20.561 11.131 -5.254 1.00 0.00 C ATOM 468 CD1 PHE B 36 21.252 10.549 -4.177 1.00 0.00 C ATOM 469 CD2 PHE B 36 20.274 12.503 -5.238 1.00 0.00 C ATOM 470 CE1 PHE B 36 21.655 11.339 -3.094 1.00 0.00 C ATOM 471 CE2 PHE B 36 20.674 13.295 -4.148 1.00 0.00 C ATOM 472 CZ PHE B 36 21.367 12.713 -3.078 1.00 0.00 C ATOM 0 H PHE B 36 20.852 11.833 -8.207 1.00 0.00 H new ATOM 0 HA PHE B 36 22.162 9.756 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.336 10.780 -6.966 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.716 9.338 -6.045 1.00 0.00 H new ATOM 0 HD1 PHE B 36 21.472 9.492 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.744 12.952 -6.065 1.00 0.00 H new ATOM 0 HE1 PHE B 36 22.189 10.891 -2.269 1.00 0.00 H new ATOM 0 HE2 PHE B 36 20.448 14.351 -4.135 1.00 0.00 H new ATOM 0 HZ PHE B 36 21.679 13.321 -2.242 1.00 0.00 H new ATOM 482 N SER B 37 20.744 8.801 -9.481 1.00 0.00 N ATOM 483 CA SER B 37 20.598 7.648 -10.355 1.00 0.00 C ATOM 484 C SER B 37 21.964 7.019 -10.624 1.00 0.00 C ATOM 485 O SER B 37 22.056 5.813 -10.851 1.00 0.00 O ATOM 486 CB SER B 37 19.927 8.069 -11.660 1.00 0.00 C ATOM 487 OG SER B 37 19.786 6.947 -12.507 1.00 0.00 O ATOM 0 H SER B 37 20.597 9.699 -9.942 1.00 0.00 H new ATOM 0 HA SER B 37 19.969 6.903 -9.868 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.950 8.506 -11.453 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.521 8.837 -12.154 1.00 0.00 H new ATOM 0 HG SER B 37 19.354 7.220 -13.343 1.00 0.00 H new ATOM 493 N LYS B 38 23.031 7.822 -10.594 1.00 0.00 N ATOM 494 CA LYS B 38 24.384 7.279 -10.649 1.00 0.00 C ATOM 495 C LYS B 38 24.753 6.653 -9.304 1.00 0.00 C ATOM 496 O LYS B 38 25.580 5.743 -9.260 1.00 0.00 O ATOM 497 CB LYS B 38 25.372 8.384 -11.034 1.00 0.00 C ATOM 498 CG LYS B 38 25.114 8.832 -12.475 1.00 0.00 C ATOM 499 CD LYS B 38 26.126 9.897 -12.900 1.00 0.00 C ATOM 500 CE LYS B 38 25.952 11.166 -12.065 1.00 0.00 C ATOM 501 NZ LYS B 38 26.897 12.215 -12.490 1.00 0.00 N ATOM 0 H LYS B 38 22.982 8.839 -10.533 1.00 0.00 H new ATOM 0 HA LYS B 38 24.431 6.499 -11.409 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.267 9.231 -10.356 1.00 0.00 H new ATOM 0 HB3 LYS B 38 26.395 8.021 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS B 38 25.178 7.974 -13.145 1.00 0.00 H new ATOM 0 HG3 LYS B 38 24.103 9.229 -12.562 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.139 9.512 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS B 38 25.996 10.130 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS B 38 24.930 11.532 -12.163 1.00 0.00 H new ATOM 0 HE3 LYS B 38 26.109 10.936 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 26.757 13.065 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 27.872 11.872 -12.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 26.729 12.449 -13.489 1.00 0.00 H new ATOM 515 N TYR B 39 24.147 7.133 -8.212 1.00 0.00 N ATOM 516 CA TYR B 39 24.340 6.533 -6.896 1.00 0.00 C ATOM 517 C TYR B 39 23.643 5.189 -6.664 1.00 0.00 C ATOM 518 O TYR B 39 24.082 4.427 -5.803 1.00 0.00 O ATOM 519 CB TYR B 39 24.005 7.524 -5.781 1.00 0.00 C ATOM 520 CG TYR B 39 25.148 8.443 -5.405 1.00 0.00 C ATOM 521 CD1 TYR B 39 25.352 9.647 -6.086 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.001 8.077 -4.354 1.00 0.00 C ATOM 523 CE1 TYR B 39 26.408 10.494 -5.720 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.059 8.915 -3.979 1.00 0.00 C ATOM 525 CZ TYR B 39 27.268 10.131 -4.662 1.00 0.00 C ATOM 526 OH TYR B 39 28.294 10.952 -4.304 1.00 0.00 O ATOM 0 H TYR B 39 23.519 7.937 -8.219 1.00 0.00 H new ATOM 0 HA TYR B 39 25.403 6.293 -6.868 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.154 8.130 -6.092 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.695 6.968 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR B 39 24.694 9.925 -6.896 1.00 0.00 H new ATOM 0 HD2 TYR B 39 25.842 7.145 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR B 39 26.563 11.424 -6.248 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.713 8.630 -3.168 1.00 0.00 H new ATOM 0 HH TYR B 39 28.787 10.553 -3.557 1.00 0.00 H new ATOM 536 N GLY B 40 22.570 4.881 -7.404 1.00 0.00 N ATOM 537 CA GLY B 40 21.849 3.634 -7.169 1.00 0.00 C ATOM 538 C GLY B 40 20.641 3.429 -8.086 1.00 0.00 C ATOM 539 O GLY B 40 19.796 2.588 -7.789 1.00 0.00 O ATOM 0 H GLY B 40 22.193 5.464 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY B 40 22.537 2.799 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY B 40 21.513 3.611 -6.132 1.00 0.00 H new ATOM 543 N ALA B 41 20.557 4.181 -9.185 1.00 0.00 N ATOM 544 CA ALA B 41 19.491 4.036 -10.177 1.00 0.00 C ATOM 545 C ALA B 41 18.099 4.059 -9.538 1.00 0.00 C ATOM 546 O ALA B 41 17.462 3.019 -9.372 1.00 0.00 O ATOM 547 CB ALA B 41 19.727 2.757 -10.983 1.00 0.00 C ATOM 0 H ALA B 41 21.231 4.912 -9.413 1.00 0.00 H new ATOM 0 HA ALA B 41 19.522 4.892 -10.851 1.00 0.00 H new ATOM 0 HB1 ALA B 41 18.936 2.643 -11.724 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.691 2.818 -11.488 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.722 1.898 -10.312 1.00 0.00 H new ATOM 553 N ILE B 42 17.632 5.257 -9.181 1.00 0.00 N ATOM 554 CA ILE B 42 16.304 5.447 -8.601 1.00 0.00 C ATOM 555 C ILE B 42 15.229 4.966 -9.574 1.00 0.00 C ATOM 556 O ILE B 42 15.356 5.151 -10.785 1.00 0.00 O ATOM 557 CB ILE B 42 16.104 6.928 -8.244 1.00 0.00 C ATOM 558 CG1 ILE B 42 16.740 7.253 -6.887 1.00 0.00 C ATOM 559 CG2 ILE B 42 14.618 7.291 -8.160 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.256 7.092 -6.925 1.00 0.00 C ATOM 0 H ILE B 42 18.164 6.121 -9.286 1.00 0.00 H new ATOM 0 HA ILE B 42 16.219 4.856 -7.689 1.00 0.00 H new ATOM 0 HB ILE B 42 16.580 7.505 -9.037 1.00 0.00 H new ATOM 0 HG12 ILE B 42 16.489 8.275 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE B 42 16.323 6.597 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE B 42 14.515 8.346 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.142 7.102 -9.122 1.00 0.00 H new ATOM 0 HG23 ILE B 42 14.138 6.684 -7.392 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.672 7.331 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.506 6.063 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE B 42 18.675 7.767 -7.672 1.00 0.00 H new ATOM 572 N ARG B 43 14.169 4.350 -9.041 1.00 0.00 N ATOM 573 CA ARG B 43 13.034 3.912 -9.845 1.00 0.00 C ATOM 574 C ARG B 43 11.851 4.859 -9.689 1.00 0.00 C ATOM 575 O ARG B 43 11.072 5.022 -10.627 1.00 0.00 O ATOM 576 CB ARG B 43 12.620 2.504 -9.424 1.00 0.00 C ATOM 577 CG ARG B 43 13.703 1.485 -9.785 1.00 0.00 C ATOM 578 CD ARG B 43 13.226 0.077 -9.424 1.00 0.00 C ATOM 579 NE ARG B 43 13.052 -0.069 -7.976 1.00 0.00 N ATOM 580 CZ ARG B 43 11.875 -0.097 -7.348 1.00 0.00 C ATOM 581 NH1 ARG B 43 10.735 0.024 -8.026 1.00 0.00 N ATOM 582 NH2 ARG B 43 11.840 -0.247 -6.030 1.00 0.00 N ATOM 0 H ARG B 43 14.078 4.144 -8.046 1.00 0.00 H new ATOM 0 HA ARG B 43 13.337 3.912 -10.892 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.437 2.481 -8.350 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.684 2.234 -9.913 1.00 0.00 H new ATOM 0 HG2 ARG B 43 13.929 1.541 -10.850 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.625 1.715 -9.251 1.00 0.00 H new ATOM 0 HD2 ARG B 43 12.283 -0.131 -9.929 1.00 0.00 H new ATOM 0 HD3 ARG B 43 13.948 -0.657 -9.782 1.00 0.00 H new ATOM 0 HE ARG B 43 13.893 -0.156 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG B 43 10.754 0.140 -9.039 1.00 0.00 H new ATOM 0 HH12 ARG B 43 9.843 0.001 -7.532 1.00 0.00 H new ATOM 0 HH21 ARG B 43 12.709 -0.340 -5.504 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.944 -0.269 -5.543 1.00 0.00 H new ATOM 596 N ASP B 44 11.715 5.480 -8.512 1.00 0.00 N ATOM 597 CA ASP B 44 10.595 6.363 -8.207 1.00 0.00 C ATOM 598 C ASP B 44 10.936 7.483 -7.225 1.00 0.00 C ATOM 599 O ASP B 44 11.899 7.382 -6.464 1.00 0.00 O ATOM 600 CB ASP B 44 9.383 5.556 -7.722 1.00 0.00 C ATOM 601 CG ASP B 44 8.591 4.932 -8.871 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.216 3.743 -8.731 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.366 5.646 -9.874 1.00 0.00 O ATOM 0 H ASP B 44 12.382 5.381 -7.746 1.00 0.00 H new ATOM 0 HA ASP B 44 10.343 6.861 -9.144 1.00 0.00 H new ATOM 0 HB2 ASP B 44 9.722 4.768 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP B 44 8.726 6.207 -7.145 1.00 0.00 H new ATOM 608 N ILE B 45 10.134 8.548 -7.253 1.00 0.00 N ATOM 609 CA ILE B 45 10.301 9.708 -6.389 1.00 0.00 C ATOM 610 C ILE B 45 8.995 9.966 -5.641 1.00 0.00 C ATOM 611 O ILE B 45 7.918 9.656 -6.146 1.00 0.00 O ATOM 612 CB ILE B 45 10.727 10.919 -7.231 1.00 0.00 C ATOM 613 CG1 ILE B 45 12.202 10.769 -7.629 1.00 0.00 C ATOM 614 CG2 ILE B 45 10.535 12.232 -6.465 1.00 0.00 C ATOM 615 CD1 ILE B 45 12.604 11.804 -8.679 1.00 0.00 C ATOM 0 H ILE B 45 9.339 8.626 -7.888 1.00 0.00 H new ATOM 0 HA ILE B 45 11.083 9.526 -5.652 1.00 0.00 H new ATOM 0 HB ILE B 45 10.098 10.952 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE B 45 12.832 10.880 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE B 45 12.375 9.766 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE B 45 10.847 13.068 -7.092 1.00 0.00 H new ATOM 0 HG22 ILE B 45 9.484 12.349 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE B 45 11.138 12.215 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE B 45 13.654 11.670 -8.939 1.00 0.00 H new ATOM 0 HD12 ILE B 45 11.991 11.675 -9.571 1.00 0.00 H new ATOM 0 HD13 ILE B 45 12.454 12.806 -8.278 1.00 0.00 H new ATOM 627 N ASP B 46 9.092 10.537 -4.438 1.00 0.00 N ATOM 628 CA ASP B 46 7.931 10.853 -3.621 1.00 0.00 C ATOM 629 C ASP B 46 8.161 12.197 -2.931 1.00 0.00 C ATOM 630 O ASP B 46 8.003 12.321 -1.717 1.00 0.00 O ATOM 631 CB ASP B 46 7.690 9.723 -2.618 1.00 0.00 C ATOM 632 CG ASP B 46 6.401 9.929 -1.823 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.236 9.204 -0.817 1.00 0.00 O ATOM 634 OD2 ASP B 46 5.599 10.799 -2.228 1.00 0.00 O ATOM 0 H ASP B 46 9.981 10.791 -4.008 1.00 0.00 H new ATOM 0 HA ASP B 46 7.036 10.939 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.641 8.772 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.534 9.662 -1.931 1.00 0.00 H new ATOM 639 N LEU B 47 8.541 13.207 -3.717 1.00 0.00 N ATOM 640 CA LEU B 47 8.737 14.557 -3.219 1.00 0.00 C ATOM 641 C LEU B 47 7.434 15.094 -2.632 1.00 0.00 C ATOM 642 O LEU B 47 6.371 14.932 -3.229 1.00 0.00 O ATOM 643 CB LEU B 47 9.242 15.439 -4.365 1.00 0.00 C ATOM 644 CG LEU B 47 9.356 16.912 -3.960 1.00 0.00 C ATOM 645 CD1 LEU B 47 10.438 17.093 -2.898 1.00 0.00 C ATOM 646 CD2 LEU B 47 9.722 17.748 -5.183 1.00 0.00 C ATOM 0 H LEU B 47 8.720 13.105 -4.716 1.00 0.00 H new ATOM 0 HA LEU B 47 9.480 14.559 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU B 47 10.217 15.079 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU B 47 8.565 15.350 -5.214 1.00 0.00 H new ATOM 0 HG LEU B 47 8.398 17.236 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU B 47 10.505 18.145 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU B 47 10.186 16.503 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU B 47 11.397 16.760 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU B 47 9.803 18.796 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU B 47 10.676 17.407 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU B 47 8.948 17.639 -5.943 1.00 0.00 H new ATOM 658 N LYS B 48 7.519 15.734 -1.460 1.00 0.00 N ATOM 659 CA LYS B 48 6.356 16.283 -0.771 1.00 0.00 C ATOM 660 C LYS B 48 6.726 17.594 -0.078 1.00 0.00 C ATOM 661 O LYS B 48 7.877 17.801 0.293 1.00 0.00 O ATOM 662 CB LYS B 48 5.839 15.227 0.220 1.00 0.00 C ATOM 663 CG LYS B 48 4.605 15.719 0.984 1.00 0.00 C ATOM 664 CD LYS B 48 4.115 14.640 1.958 1.00 0.00 C ATOM 665 CE LYS B 48 3.599 13.402 1.222 1.00 0.00 C ATOM 666 NZ LYS B 48 2.368 13.698 0.465 1.00 0.00 N ATOM 0 H LYS B 48 8.399 15.884 -0.966 1.00 0.00 H new ATOM 0 HA LYS B 48 5.560 16.515 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.592 14.313 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.629 14.976 0.928 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.848 16.630 1.532 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.811 15.972 0.281 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.930 14.354 2.623 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.321 15.048 2.583 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.367 13.036 0.541 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.403 12.606 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 1.933 12.808 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 1.700 14.211 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 2.601 14.284 -0.362 1.00 0.00 H new ATOM 680 N ASN B 49 5.743 18.486 0.096 1.00 0.00 N ATOM 681 CA ASN B 49 5.965 19.792 0.711 1.00 0.00 C ATOM 682 C ASN B 49 4.880 20.133 1.740 1.00 0.00 C ATOM 683 O ASN B 49 4.877 21.233 2.292 1.00 0.00 O ATOM 684 CB ASN B 49 6.063 20.867 -0.380 1.00 0.00 C ATOM 685 CG ASN B 49 4.837 20.897 -1.282 1.00 0.00 C ATOM 686 OD1 ASN B 49 3.819 20.276 -0.992 1.00 0.00 O ATOM 687 ND2 ASN B 49 4.930 21.629 -2.385 1.00 0.00 N ATOM 0 H ASN B 49 4.777 18.320 -0.186 1.00 0.00 H new ATOM 0 HA ASN B 49 6.908 19.758 1.257 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.190 21.844 0.087 1.00 0.00 H new ATOM 0 HB3 ASN B 49 6.951 20.685 -0.985 1.00 0.00 H new ATOM 0 HD21 ASN B 49 4.138 21.689 -3.025 1.00 0.00 H new ATOM 0 HD22 ASN B 49 5.793 22.131 -2.592 1.00 0.00 H new ATOM 770 N PRO B 55 11.515 21.230 1.659 1.00 0.00 N ATOM 771 CA PRO B 55 10.884 20.024 1.161 1.00 0.00 C ATOM 772 C PRO B 55 11.574 18.777 1.717 1.00 0.00 C ATOM 773 O PRO B 55 12.657 18.864 2.294 1.00 0.00 O ATOM 774 CB PRO B 55 11.022 20.095 -0.362 1.00 0.00 C ATOM 775 CG PRO B 55 12.265 20.964 -0.577 1.00 0.00 C ATOM 776 CD PRO B 55 12.252 21.915 0.618 1.00 0.00 C ATOM 0 HA PRO B 55 9.840 19.956 1.469 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.146 19.104 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.139 20.538 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.174 20.363 -0.601 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.216 21.506 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.266 22.147 0.944 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.776 22.861 0.360 1.00 0.00 H new ATOM 784 N PHE B 56 10.940 17.613 1.540 1.00 0.00 N ATOM 785 CA PHE B 56 11.517 16.338 1.929 1.00 0.00 C ATOM 786 C PHE B 56 10.859 15.300 1.017 1.00 0.00 C ATOM 787 O PHE B 56 9.843 15.581 0.379 1.00 0.00 O ATOM 788 CB PHE B 56 11.197 16.070 3.406 1.00 0.00 C ATOM 789 CG PHE B 56 9.824 15.506 3.689 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.671 16.205 3.304 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.704 14.276 4.359 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.402 15.682 3.597 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.437 13.762 4.666 1.00 0.00 C ATOM 794 CZ PHE B 56 7.288 14.467 4.285 1.00 0.00 C ATOM 0 H PHE B 56 10.013 17.537 1.122 1.00 0.00 H new ATOM 0 HA PHE B 56 12.602 16.312 1.826 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.942 15.378 3.800 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.306 17.004 3.957 1.00 0.00 H new ATOM 0 HD1 PHE B 56 8.760 17.146 2.782 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.591 13.726 4.638 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.514 16.216 3.292 1.00 0.00 H new ATOM 0 HE2 PHE B 56 8.347 12.825 5.195 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.311 14.073 4.522 1.00 0.00 H new ATOM 804 N ALA B 57 11.432 14.097 0.943 1.00 0.00 N ATOM 805 CA ALA B 57 10.965 13.099 -0.009 1.00 0.00 C ATOM 806 C ALA B 57 11.248 11.677 0.472 1.00 0.00 C ATOM 807 O ALA B 57 12.034 11.466 1.396 1.00 0.00 O ATOM 808 CB ALA B 57 11.655 13.346 -1.351 1.00 0.00 C ATOM 0 H ALA B 57 12.212 13.796 1.527 1.00 0.00 H new ATOM 0 HA ALA B 57 9.884 13.194 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA B 57 11.316 12.606 -2.076 1.00 0.00 H new ATOM 0 HB2 ALA B 57 11.407 14.345 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA B 57 12.735 13.263 -1.226 1.00 0.00 H new ATOM 814 N PHE B 58 10.597 10.706 -0.177 1.00 0.00 N ATOM 815 CA PHE B 58 10.818 9.288 0.070 1.00 0.00 C ATOM 816 C PHE B 58 11.263 8.563 -1.197 1.00 0.00 C ATOM 817 O PHE B 58 10.461 7.907 -1.863 1.00 0.00 O ATOM 818 CB PHE B 58 9.582 8.654 0.695 1.00 0.00 C ATOM 819 CG PHE B 58 9.282 9.155 2.085 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.034 8.701 3.177 1.00 0.00 C ATOM 821 CD2 PHE B 58 8.246 10.079 2.285 1.00 0.00 C ATOM 822 CE1 PHE B 58 9.749 9.173 4.466 1.00 0.00 C ATOM 823 CE2 PHE B 58 7.974 10.564 3.569 1.00 0.00 C ATOM 824 CZ PHE B 58 8.724 10.110 4.661 1.00 0.00 C ATOM 0 H PHE B 58 9.896 10.890 -0.895 1.00 0.00 H new ATOM 0 HA PHE B 58 11.634 9.188 0.786 1.00 0.00 H new ATOM 0 HB2 PHE B 58 8.722 8.848 0.055 1.00 0.00 H new ATOM 0 HB3 PHE B 58 9.717 7.573 0.729 1.00 0.00 H new ATOM 0 HD1 PHE B 58 10.832 7.989 3.026 1.00 0.00 H new ATOM 0 HD2 PHE B 58 7.657 10.417 1.446 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.320 8.814 5.310 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.186 11.288 3.718 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.513 10.481 5.653 1.00 0.00 H new ATOM 834 N VAL B 59 12.547 8.693 -1.527 1.00 0.00 N ATOM 835 CA VAL B 59 13.111 8.168 -2.765 1.00 0.00 C ATOM 836 C VAL B 59 13.094 6.639 -2.746 1.00 0.00 C ATOM 837 O VAL B 59 13.233 6.032 -1.684 1.00 0.00 O ATOM 838 CB VAL B 59 14.541 8.703 -2.916 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.202 8.160 -4.180 1.00 0.00 C ATOM 840 CG2 VAL B 59 14.518 10.227 -2.994 1.00 0.00 C ATOM 0 H VAL B 59 13.229 9.170 -0.937 1.00 0.00 H new ATOM 0 HA VAL B 59 12.514 8.493 -3.617 1.00 0.00 H new ATOM 0 HB VAL B 59 15.113 8.376 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.214 8.556 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.241 7.072 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL B 59 14.623 8.464 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL B 59 15.536 10.601 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL B 59 13.925 10.538 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.077 10.631 -2.083 1.00 0.00 H new ATOM 850 N GLU B 60 12.923 6.017 -3.919 1.00 0.00 N ATOM 851 CA GLU B 60 12.849 4.566 -4.028 1.00 0.00 C ATOM 852 C GLU B 60 13.904 4.040 -5.002 1.00 0.00 C ATOM 853 O GLU B 60 13.935 4.430 -6.170 1.00 0.00 O ATOM 854 CB GLU B 60 11.434 4.168 -4.444 1.00 0.00 C ATOM 855 CG GLU B 60 11.312 2.644 -4.543 1.00 0.00 C ATOM 856 CD GLU B 60 9.884 2.225 -4.895 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.028 3.122 -5.042 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.666 0.995 -5.012 1.00 0.00 O ATOM 0 H GLU B 60 12.833 6.506 -4.809 1.00 0.00 H new ATOM 0 HA GLU B 60 13.064 4.112 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU B 60 10.715 4.550 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.190 4.621 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.001 2.270 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.604 2.191 -3.595 1.00 0.00 H new ATOM 865 N PHE B 61 14.765 3.147 -4.504 1.00 0.00 N ATOM 866 CA PHE B 61 15.897 2.610 -5.253 1.00 0.00 C ATOM 867 C PHE B 61 15.642 1.283 -5.968 1.00 0.00 C ATOM 868 O PHE B 61 14.664 0.591 -5.683 1.00 0.00 O ATOM 869 CB PHE B 61 17.134 2.527 -4.357 1.00 0.00 C ATOM 870 CG PHE B 61 17.785 3.864 -4.105 1.00 0.00 C ATOM 871 CD1 PHE B 61 19.023 4.164 -4.691 1.00 0.00 C ATOM 872 CD2 PHE B 61 17.153 4.812 -3.288 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.626 5.409 -4.466 1.00 0.00 C ATOM 874 CE2 PHE B 61 17.755 6.058 -3.064 1.00 0.00 C ATOM 875 CZ PHE B 61 18.991 6.357 -3.652 1.00 0.00 C ATOM 0 H PHE B 61 14.691 2.774 -3.557 1.00 0.00 H new ATOM 0 HA PHE B 61 16.068 3.320 -6.062 1.00 0.00 H new ATOM 0 HB2 PHE B 61 16.852 2.083 -3.402 1.00 0.00 H new ATOM 0 HB3 PHE B 61 17.862 1.858 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE B 61 19.513 3.434 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE B 61 16.202 4.582 -2.831 1.00 0.00 H new ATOM 0 HE1 PHE B 61 20.579 5.638 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE B 61 17.265 6.789 -2.437 1.00 0.00 H new ATOM 0 HZ PHE B 61 19.454 7.317 -3.478 1.00 0.00 H new ATOM 885 N GLU B 62 16.534 0.925 -6.902 1.00 0.00 N ATOM 886 CA GLU B 62 16.480 -0.367 -7.573 1.00 0.00 C ATOM 887 C GLU B 62 16.935 -1.482 -6.633 1.00 0.00 C ATOM 888 O GLU B 62 16.447 -2.606 -6.726 1.00 0.00 O ATOM 889 CB GLU B 62 17.353 -0.320 -8.827 1.00 0.00 C ATOM 890 CG GLU B 62 17.372 -1.686 -9.517 1.00 0.00 C ATOM 891 CD GLU B 62 18.106 -1.647 -10.859 1.00 0.00 C ATOM 892 OE1 GLU B 62 18.528 -0.540 -11.266 1.00 0.00 O ATOM 893 OE2 GLU B 62 18.240 -2.734 -11.467 1.00 0.00 O ATOM 0 H GLU B 62 17.304 1.521 -7.207 1.00 0.00 H new ATOM 0 HA GLU B 62 15.451 -0.580 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.973 0.436 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.368 -0.026 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.852 -2.414 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU B 62 16.348 -2.025 -9.675 1.00 0.00 H new ATOM 900 N ASP B 63 17.868 -1.163 -5.728 1.00 0.00 N ATOM 901 CA ASP B 63 18.408 -2.104 -4.755 1.00 0.00 C ATOM 902 C ASP B 63 18.645 -1.447 -3.395 1.00 0.00 C ATOM 903 O ASP B 63 19.002 -0.270 -3.333 1.00 0.00 O ATOM 904 CB ASP B 63 19.694 -2.752 -5.283 1.00 0.00 C ATOM 905 CG ASP B 63 19.431 -3.819 -6.342 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.248 -3.895 -7.287 1.00 0.00 O ATOM 907 OD2 ASP B 63 18.428 -4.553 -6.198 1.00 0.00 O ATOM 0 H ASP B 63 18.271 -0.229 -5.655 1.00 0.00 H new ATOM 0 HA ASP B 63 17.662 -2.886 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.337 -1.980 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.237 -3.200 -4.451 1.00 0.00 H new ATOM 912 N PRO B 64 18.454 -2.193 -2.298 1.00 0.00 N ATOM 913 CA PRO B 64 18.636 -1.685 -0.950 1.00 0.00 C ATOM 914 C PRO B 64 20.120 -1.523 -0.626 1.00 0.00 C ATOM 915 O PRO B 64 20.472 -0.791 0.298 1.00 0.00 O ATOM 916 CB PRO B 64 17.986 -2.731 -0.044 1.00 0.00 C ATOM 917 CG PRO B 64 18.112 -4.033 -0.837 1.00 0.00 C ATOM 918 CD PRO B 64 18.038 -3.583 -2.295 1.00 0.00 C ATOM 0 HA PRO B 64 18.189 -0.700 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.495 -2.798 0.918 1.00 0.00 H new ATOM 0 HB3 PRO B 64 16.944 -2.488 0.163 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.052 -4.542 -0.623 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.310 -4.729 -0.592 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.690 -4.188 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.027 -3.690 -2.687 1.00 0.00 H new ATOM 926 N ARG B 65 20.996 -2.204 -1.377 1.00 0.00 N ATOM 927 CA ARG B 65 22.432 -2.147 -1.136 1.00 0.00 C ATOM 928 C ARG B 65 23.019 -0.838 -1.659 1.00 0.00 C ATOM 929 O ARG B 65 23.941 -0.294 -1.055 1.00 0.00 O ATOM 930 CB ARG B 65 23.091 -3.370 -1.785 1.00 0.00 C ATOM 931 CG ARG B 65 24.611 -3.357 -1.576 1.00 0.00 C ATOM 932 CD ARG B 65 25.316 -2.661 -2.739 1.00 0.00 C ATOM 933 NE ARG B 65 26.705 -2.333 -2.396 1.00 0.00 N ATOM 934 CZ ARG B 65 27.286 -1.163 -2.690 1.00 0.00 C ATOM 935 NH1 ARG B 65 26.645 -0.243 -3.411 1.00 0.00 N ATOM 936 NH2 ARG B 65 28.518 -0.909 -2.258 1.00 0.00 N ATOM 0 H ARG B 65 20.727 -2.802 -2.159 1.00 0.00 H new ATOM 0 HA ARG B 65 22.629 -2.171 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG B 65 22.671 -4.281 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG B 65 22.868 -3.383 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG B 65 24.849 -2.846 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG B 65 24.978 -4.379 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG B 65 25.298 -3.306 -3.618 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.778 -1.750 -3.001 1.00 0.00 H new ATOM 0 HE ARG B 65 27.259 -3.036 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG B 65 25.699 -0.426 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG B 65 27.100 0.644 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG B 65 29.018 -1.605 -1.704 1.00 0.00 H new ATOM 0 HH22 ARG B 65 28.963 -0.019 -2.481 1.00 0.00 H new ATOM 950 N ASP B 66 22.492 -0.331 -2.777 1.00 0.00 N ATOM 951 CA ASP B 66 22.962 0.926 -3.352 1.00 0.00 C ATOM 952 C ASP B 66 22.426 2.146 -2.606 1.00 0.00 C ATOM 953 O ASP B 66 22.959 3.245 -2.742 1.00 0.00 O ATOM 954 CB ASP B 66 22.621 0.989 -4.843 1.00 0.00 C ATOM 955 CG ASP B 66 23.454 0.008 -5.669 1.00 0.00 C ATOM 956 OD1 ASP B 66 23.168 -0.099 -6.883 1.00 0.00 O ATOM 957 OD2 ASP B 66 24.366 -0.620 -5.085 1.00 0.00 O ATOM 0 H ASP B 66 21.738 -0.775 -3.301 1.00 0.00 H new ATOM 0 HA ASP B 66 24.046 0.951 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.562 0.770 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.787 2.002 -5.209 1.00 0.00 H new ATOM 962 N ALA B 67 21.366 1.950 -1.819 1.00 0.00 N ATOM 963 CA ALA B 67 20.796 3.025 -1.025 1.00 0.00 C ATOM 964 C ALA B 67 21.767 3.426 0.090 1.00 0.00 C ATOM 965 O ALA B 67 21.671 4.530 0.622 1.00 0.00 O ATOM 966 CB ALA B 67 19.463 2.555 -0.449 1.00 0.00 C ATOM 0 H ALA B 67 20.889 1.054 -1.719 1.00 0.00 H new ATOM 0 HA ALA B 67 20.625 3.902 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.024 3.353 0.150 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.786 2.297 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.626 1.679 0.178 1.00 0.00 H new ATOM 972 N GLU B 68 22.696 2.534 0.444 1.00 0.00 N ATOM 973 CA GLU B 68 23.703 2.824 1.455 1.00 0.00 C ATOM 974 C GLU B 68 24.703 3.847 0.924 1.00 0.00 C ATOM 975 O GLU B 68 25.204 4.679 1.679 1.00 0.00 O ATOM 976 CB GLU B 68 24.434 1.532 1.832 1.00 0.00 C ATOM 977 CG GLU B 68 23.481 0.488 2.430 1.00 0.00 C ATOM 978 CD GLU B 68 22.983 0.874 3.824 1.00 0.00 C ATOM 979 OE1 GLU B 68 23.463 1.898 4.353 1.00 0.00 O ATOM 980 OE2 GLU B 68 22.118 0.129 4.341 1.00 0.00 O ATOM 0 H GLU B 68 22.767 1.600 0.039 1.00 0.00 H new ATOM 0 HA GLU B 68 23.214 3.237 2.337 1.00 0.00 H new ATOM 0 HB2 GLU B 68 24.918 1.117 0.948 1.00 0.00 H new ATOM 0 HB3 GLU B 68 25.222 1.757 2.550 1.00 0.00 H new ATOM 0 HG2 GLU B 68 22.626 0.360 1.766 1.00 0.00 H new ATOM 0 HG3 GLU B 68 23.990 -0.474 2.484 1.00 0.00 H new ATOM 987 N ASP B 69 24.995 3.792 -0.378 1.00 0.00 N ATOM 988 CA ASP B 69 25.931 4.716 -1.001 1.00 0.00 C ATOM 989 C ASP B 69 25.323 6.096 -1.209 1.00 0.00 C ATOM 990 O ASP B 69 26.021 7.105 -1.115 1.00 0.00 O ATOM 991 CB ASP B 69 26.419 4.142 -2.334 1.00 0.00 C ATOM 992 CG ASP B 69 27.331 2.928 -2.158 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.678 2.324 -3.197 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.675 2.609 -0.998 1.00 0.00 O ATOM 0 H ASP B 69 24.591 3.110 -1.020 1.00 0.00 H new ATOM 0 HA ASP B 69 26.777 4.837 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.558 3.859 -2.939 1.00 0.00 H new ATOM 0 HB3 ASP B 69 26.954 4.916 -2.883 1.00 0.00 H new ATOM 999 N ALA B 70 24.018 6.138 -1.494 1.00 0.00 N ATOM 1000 CA ALA B 70 23.304 7.386 -1.688 1.00 0.00 C ATOM 1001 C ALA B 70 23.107 8.093 -0.350 1.00 0.00 C ATOM 1002 O ALA B 70 23.083 9.322 -0.292 1.00 0.00 O ATOM 1003 CB ALA B 70 21.953 7.088 -2.335 1.00 0.00 C ATOM 0 H ALA B 70 23.436 5.306 -1.595 1.00 0.00 H new ATOM 0 HA ALA B 70 23.882 8.042 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.408 8.020 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.110 6.600 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.375 6.431 -1.685 1.00 0.00 H new ATOM 1009 N VAL B 71 22.968 7.319 0.730 1.00 0.00 N ATOM 1010 CA VAL B 71 22.820 7.877 2.064 1.00 0.00 C ATOM 1011 C VAL B 71 24.179 8.412 2.503 1.00 0.00 C ATOM 1012 O VAL B 71 24.262 9.493 3.078 1.00 0.00 O ATOM 1013 CB VAL B 71 22.324 6.777 3.015 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.617 7.123 4.475 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.811 6.617 2.842 1.00 0.00 C ATOM 0 H VAL B 71 22.956 6.300 0.699 1.00 0.00 H new ATOM 0 HA VAL B 71 22.093 8.689 2.076 1.00 0.00 H new ATOM 0 HB VAL B 71 22.847 5.853 2.769 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.252 6.323 5.119 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.692 7.238 4.613 1.00 0.00 H new ATOM 0 HG13 VAL B 71 22.116 8.055 4.736 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.448 5.838 3.513 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.316 7.559 3.079 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.590 6.340 1.811 1.00 0.00 H new ATOM 1025 N SER B 72 25.250 7.659 2.232 1.00 0.00 N ATOM 1026 CA SER B 72 26.602 8.075 2.590 1.00 0.00 C ATOM 1027 C SER B 72 27.105 9.172 1.653 1.00 0.00 C ATOM 1028 O SER B 72 28.231 9.645 1.814 1.00 0.00 O ATOM 1029 CB SER B 72 27.546 6.875 2.548 1.00 0.00 C ATOM 1030 OG SER B 72 27.138 5.903 3.487 1.00 0.00 O ATOM 0 H SER B 72 25.202 6.754 1.763 1.00 0.00 H new ATOM 0 HA SER B 72 26.578 8.478 3.602 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.554 6.444 1.547 1.00 0.00 H new ATOM 0 HB3 SER B 72 28.565 7.196 2.765 1.00 0.00 H new ATOM 0 HG SER B 72 26.447 5.334 3.089 1.00 0.00 H new ATOM 1036 N GLY B 73 26.287 9.577 0.674 1.00 0.00 N ATOM 1037 CA GLY B 73 26.699 10.547 -0.324 1.00 0.00 C ATOM 1038 C GLY B 73 26.787 11.967 0.233 1.00 0.00 C ATOM 1039 O GLY B 73 27.668 12.723 -0.173 1.00 0.00 O ATOM 0 H GLY B 73 25.331 9.240 0.559 1.00 0.00 H new ATOM 0 HA2 GLY B 73 27.670 10.258 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY B 73 25.993 10.530 -1.154 1.00 0.00 H new ATOM 1043 N ARG B 74 25.892 12.341 1.158 1.00 0.00 N ATOM 1044 CA ARG B 74 25.866 13.708 1.680 1.00 0.00 C ATOM 1045 C ARG B 74 25.069 13.799 2.986 1.00 0.00 C ATOM 1046 O ARG B 74 24.468 14.834 3.271 1.00 0.00 O ATOM 1047 CB ARG B 74 25.282 14.642 0.611 1.00 0.00 C ATOM 1048 CG ARG B 74 25.759 16.081 0.838 1.00 0.00 C ATOM 1049 CD ARG B 74 25.282 16.961 -0.315 1.00 0.00 C ATOM 1050 NE ARG B 74 25.896 18.293 -0.253 1.00 0.00 N ATOM 1051 CZ ARG B 74 26.223 19.013 -1.333 1.00 0.00 C ATOM 1052 NH1 ARG B 74 25.971 18.556 -2.558 1.00 0.00 N ATOM 1053 NH2 ARG B 74 26.804 20.199 -1.189 1.00 0.00 N ATOM 0 H ARG B 74 25.185 11.722 1.554 1.00 0.00 H new ATOM 0 HA ARG B 74 26.886 14.016 1.912 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.585 14.304 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG B 74 24.193 14.604 0.642 1.00 0.00 H new ATOM 0 HG2 ARG B 74 25.371 16.460 1.784 1.00 0.00 H new ATOM 0 HG3 ARG B 74 26.847 16.109 0.906 1.00 0.00 H new ATOM 0 HD2 ARG B 74 25.530 16.487 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG B 74 24.197 17.056 -0.279 1.00 0.00 H new ATOM 0 HE ARG B 74 26.084 18.693 0.666 1.00 0.00 H new ATOM 0 HH11 ARG B 74 25.524 17.648 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG B 74 26.225 19.114 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG B 74 27.001 20.561 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG B 74 27.053 20.748 -2.012 1.00 0.00 H new ATOM 1067 N ASP B 75 25.053 12.728 3.780 1.00 0.00 N ATOM 1068 CA ASP B 75 24.313 12.728 5.035 1.00 0.00 C ATOM 1069 C ASP B 75 24.858 13.719 6.063 1.00 0.00 C ATOM 1070 O ASP B 75 26.068 13.931 6.152 1.00 0.00 O ATOM 1071 CB ASP B 75 24.189 11.320 5.630 1.00 0.00 C ATOM 1072 CG ASP B 75 25.501 10.530 5.662 1.00 0.00 C ATOM 1073 OD1 ASP B 75 26.534 11.065 5.200 1.00 0.00 O ATOM 1074 OD2 ASP B 75 25.456 9.380 6.158 1.00 0.00 O ATOM 0 H ASP B 75 25.542 11.856 3.575 1.00 0.00 H new ATOM 0 HA ASP B 75 23.311 13.073 4.780 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.802 11.401 6.646 1.00 0.00 H new ATOM 0 HB3 ASP B 75 23.454 10.758 5.053 1.00 0.00 H new ATOM 1079 N GLY B 76 23.954 14.325 6.841 1.00 0.00 N ATOM 1080 CA GLY B 76 24.327 15.205 7.942 1.00 0.00 C ATOM 1081 C GLY B 76 25.188 16.368 7.464 1.00 0.00 C ATOM 1082 O GLY B 76 26.211 16.665 8.082 1.00 0.00 O ATOM 0 H GLY B 76 22.947 14.216 6.721 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.427 15.591 8.421 1.00 0.00 H new ATOM 0 HA3 GLY B 76 24.870 14.635 8.696 1.00 0.00 H new ATOM 1086 N TYR B 77 24.790 17.027 6.371 1.00 0.00 N ATOM 1087 CA TYR B 77 25.596 18.064 5.753 1.00 0.00 C ATOM 1088 C TYR B 77 25.160 19.471 6.153 1.00 0.00 C ATOM 1089 O TYR B 77 23.967 19.762 6.211 1.00 0.00 O ATOM 1090 CB TYR B 77 25.662 17.867 4.237 1.00 0.00 C ATOM 1091 CG TYR B 77 26.266 19.032 3.484 1.00 0.00 C ATOM 1092 CD1 TYR B 77 27.617 18.990 3.109 1.00 0.00 C ATOM 1093 CD2 TYR B 77 25.481 20.148 3.163 1.00 0.00 C ATOM 1094 CE1 TYR B 77 28.187 20.064 2.409 1.00 0.00 C ATOM 1095 CE2 TYR B 77 26.044 21.226 2.463 1.00 0.00 C ATOM 1096 CZ TYR B 77 27.397 21.187 2.084 1.00 0.00 C ATOM 1097 OH TYR B 77 27.945 22.233 1.404 1.00 0.00 O ATOM 0 H TYR B 77 23.903 16.852 5.898 1.00 0.00 H new ATOM 0 HA TYR B 77 26.611 17.964 6.138 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.244 16.971 4.024 1.00 0.00 H new ATOM 0 HB3 TYR B 77 24.654 17.690 3.861 1.00 0.00 H new ATOM 0 HD1 TYR B 77 28.219 18.129 3.360 1.00 0.00 H new ATOM 0 HD2 TYR B 77 24.442 20.178 3.455 1.00 0.00 H new ATOM 0 HE1 TYR B 77 29.227 20.031 2.120 1.00 0.00 H new ATOM 0 HE2 TYR B 77 25.438 22.085 2.216 1.00 0.00 H new ATOM 0 HH TYR B 77 27.264 22.923 1.261 1.00 0.00 H new ATOM 1107 N ASP B 78 26.141 20.330 6.431 1.00 0.00 N ATOM 1108 CA ASP B 78 25.930 21.700 6.875 1.00 0.00 C ATOM 1109 C ASP B 78 25.320 22.572 5.777 1.00 0.00 C ATOM 1110 O ASP B 78 26.033 23.281 5.066 1.00 0.00 O ATOM 1111 CB ASP B 78 27.255 22.270 7.392 1.00 0.00 C ATOM 1112 CG ASP B 78 27.160 23.757 7.742 1.00 0.00 C ATOM 1113 OD1 ASP B 78 28.227 24.411 7.741 1.00 0.00 O ATOM 1114 OD2 ASP B 78 26.031 24.224 8.004 1.00 0.00 O ATOM 0 H ASP B 78 27.127 20.082 6.350 1.00 0.00 H new ATOM 0 HA ASP B 78 25.205 21.699 7.689 1.00 0.00 H new ATOM 0 HB2 ASP B 78 27.566 21.712 8.275 1.00 0.00 H new ATOM 0 HB3 ASP B 78 28.027 22.127 6.636 1.00 0.00 H new ATOM 1119 N TYR B 79 23.994 22.512 5.641 1.00 0.00 N ATOM 1120 CA TYR B 79 23.257 23.314 4.684 1.00 0.00 C ATOM 1121 C TYR B 79 22.981 24.715 5.232 1.00 0.00 C ATOM 1122 O TYR B 79 23.229 24.988 6.404 1.00 0.00 O ATOM 1123 CB TYR B 79 21.973 22.573 4.296 1.00 0.00 C ATOM 1124 CG TYR B 79 21.028 23.347 3.404 1.00 0.00 C ATOM 1125 CD1 TYR B 79 21.138 23.239 2.013 1.00 0.00 C ATOM 1126 CD2 TYR B 79 20.047 24.169 3.971 1.00 0.00 C ATOM 1127 CE1 TYR B 79 20.263 23.951 1.180 1.00 0.00 C ATOM 1128 CE2 TYR B 79 19.166 24.883 3.146 1.00 0.00 C ATOM 1129 CZ TYR B 79 19.272 24.778 1.747 1.00 0.00 C ATOM 1130 OH TYR B 79 18.419 25.479 0.946 1.00 0.00 O ATOM 0 H TYR B 79 23.403 21.897 6.201 1.00 0.00 H new ATOM 0 HA TYR B 79 23.856 23.456 3.785 1.00 0.00 H new ATOM 0 HB2 TYR B 79 22.246 21.646 3.792 1.00 0.00 H new ATOM 0 HB3 TYR B 79 21.443 22.296 5.207 1.00 0.00 H new ATOM 0 HD1 TYR B 79 21.898 22.606 1.580 1.00 0.00 H new ATOM 0 HD2 TYR B 79 19.969 24.253 5.045 1.00 0.00 H new ATOM 0 HE1 TYR B 79 20.348 23.866 0.107 1.00 0.00 H new ATOM 0 HE2 TYR B 79 18.406 25.513 3.584 1.00 0.00 H new ATOM 0 HH TYR B 79 17.799 25.996 1.502 1.00 0.00 H new ATOM 1140 N ASP B 80 22.469 25.600 4.379 1.00 0.00 N ATOM 1141 CA ASP B 80 22.159 26.966 4.763 1.00 0.00 C ATOM 1142 C ASP B 80 21.050 27.037 5.816 1.00 0.00 C ATOM 1143 O ASP B 80 19.864 27.046 5.482 1.00 0.00 O ATOM 1144 CB ASP B 80 21.821 27.786 3.512 1.00 0.00 C ATOM 1145 CG ASP B 80 21.308 29.188 3.851 1.00 0.00 C ATOM 1146 OD1 ASP B 80 21.552 29.641 4.992 1.00 0.00 O ATOM 1147 OD2 ASP B 80 20.673 29.792 2.956 1.00 0.00 O ATOM 0 H ASP B 80 22.259 25.386 3.404 1.00 0.00 H new ATOM 0 HA ASP B 80 23.040 27.399 5.236 1.00 0.00 H new ATOM 0 HB2 ASP B 80 22.709 27.869 2.885 1.00 0.00 H new ATOM 0 HB3 ASP B 80 21.067 27.258 2.928 1.00 0.00 H new ATOM 1152 N GLY B 81 21.437 27.087 7.094 1.00 0.00 N ATOM 1153 CA GLY B 81 20.497 27.216 8.203 1.00 0.00 C ATOM 1154 C GLY B 81 19.911 25.871 8.637 1.00 0.00 C ATOM 1155 O GLY B 81 19.128 25.823 9.587 1.00 0.00 O ATOM 0 H GLY B 81 22.413 27.039 7.386 1.00 0.00 H new ATOM 0 HA2 GLY B 81 21.002 27.678 9.051 1.00 0.00 H new ATOM 0 HA3 GLY B 81 19.687 27.884 7.912 1.00 0.00 H new ATOM 1159 N TYR B 82 20.280 24.778 7.956 1.00 0.00 N ATOM 1160 CA TYR B 82 19.771 23.444 8.269 1.00 0.00 C ATOM 1161 C TYR B 82 20.839 22.356 8.125 1.00 0.00 C ATOM 1162 O TYR B 82 22.015 22.655 7.912 1.00 0.00 O ATOM 1163 CB TYR B 82 18.550 23.134 7.398 1.00 0.00 C ATOM 1164 CG TYR B 82 17.347 24.007 7.669 1.00 0.00 C ATOM 1165 CD1 TYR B 82 16.336 23.570 8.539 1.00 0.00 C ATOM 1166 CD2 TYR B 82 17.241 25.256 7.035 1.00 0.00 C ATOM 1167 CE1 TYR B 82 15.216 24.379 8.773 1.00 0.00 C ATOM 1168 CE2 TYR B 82 16.122 26.070 7.263 1.00 0.00 C ATOM 1169 CZ TYR B 82 15.103 25.632 8.133 1.00 0.00 C ATOM 1170 OH TYR B 82 14.012 26.419 8.357 1.00 0.00 O ATOM 0 H TYR B 82 20.937 24.797 7.176 1.00 0.00 H new ATOM 0 HA TYR B 82 19.474 23.444 9.318 1.00 0.00 H new ATOM 0 HB2 TYR B 82 18.831 23.240 6.350 1.00 0.00 H new ATOM 0 HB3 TYR B 82 18.268 22.092 7.548 1.00 0.00 H new ATOM 0 HD1 TYR B 82 16.421 22.611 9.028 1.00 0.00 H new ATOM 0 HD2 TYR B 82 18.024 25.590 6.370 1.00 0.00 H new ATOM 0 HE1 TYR B 82 14.439 24.044 9.444 1.00 0.00 H new ATOM 0 HE2 TYR B 82 16.041 27.029 6.774 1.00 0.00 H new ATOM 0 HH TYR B 82 14.094 27.247 7.839 1.00 0.00 H new ATOM 1180 N ARG B 83 20.429 21.090 8.244 1.00 0.00 N ATOM 1181 CA ARG B 83 21.320 19.940 8.131 1.00 0.00 C ATOM 1182 C ARG B 83 20.621 18.869 7.303 1.00 0.00 C ATOM 1183 O ARG B 83 19.447 18.579 7.537 1.00 0.00 O ATOM 1184 CB ARG B 83 21.638 19.426 9.536 1.00 0.00 C ATOM 1185 CG ARG B 83 22.960 18.660 9.567 1.00 0.00 C ATOM 1186 CD ARG B 83 24.122 19.658 9.511 1.00 0.00 C ATOM 1187 NE ARG B 83 25.416 18.970 9.549 1.00 0.00 N ATOM 1188 CZ ARG B 83 26.477 19.401 10.237 1.00 0.00 C ATOM 1189 NH1 ARG B 83 27.606 18.701 10.211 1.00 0.00 N ATOM 1190 NH2 ARG B 83 26.418 20.524 10.949 1.00 0.00 N ATOM 0 H ARG B 83 19.458 20.836 8.423 1.00 0.00 H new ATOM 0 HA ARG B 83 22.254 20.212 7.640 1.00 0.00 H new ATOM 0 HB2 ARG B 83 21.687 20.266 10.229 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.832 18.777 9.878 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.025 18.059 10.474 1.00 0.00 H new ATOM 0 HG3 ARG B 83 23.015 17.972 8.724 1.00 0.00 H new ATOM 0 HD2 ARG B 83 24.050 20.253 8.600 1.00 0.00 H new ATOM 0 HD3 ARG B 83 24.051 20.350 10.350 1.00 0.00 H new ATOM 0 HE ARG B 83 25.513 18.106 9.015 1.00 0.00 H new ATOM 0 HH11 ARG B 83 27.659 17.839 9.668 1.00 0.00 H new ATOM 0 HH12 ARG B 83 28.419 19.025 10.734 1.00 0.00 H new ATOM 0 HH21 ARG B 83 25.555 21.067 10.974 1.00 0.00 H new ATOM 0 HH22 ARG B 83 27.236 20.841 11.470 1.00 0.00 H new ATOM 1204 N LEU B 84 21.330 18.281 6.339 1.00 0.00 N ATOM 1205 CA LEU B 84 20.762 17.231 5.501 1.00 0.00 C ATOM 1206 C LEU B 84 20.438 16.011 6.359 1.00 0.00 C ATOM 1207 O LEU B 84 21.212 15.643 7.239 1.00 0.00 O ATOM 1208 CB LEU B 84 21.758 16.841 4.398 1.00 0.00 C ATOM 1209 CG LEU B 84 21.612 17.675 3.121 1.00 0.00 C ATOM 1210 CD1 LEU B 84 20.305 17.333 2.411 1.00 0.00 C ATOM 1211 CD2 LEU B 84 21.651 19.172 3.424 1.00 0.00 C ATOM 0 H LEU B 84 22.298 18.516 6.121 1.00 0.00 H new ATOM 0 HA LEU B 84 19.847 17.600 5.037 1.00 0.00 H new ATOM 0 HB2 LEU B 84 22.773 16.951 4.780 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.622 15.788 4.152 1.00 0.00 H new ATOM 0 HG LEU B 84 22.454 17.433 2.472 1.00 0.00 H new ATOM 0 HD11 LEU B 84 20.215 17.933 1.506 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.300 16.275 2.147 1.00 0.00 H new ATOM 0 HD13 LEU B 84 19.465 17.546 3.072 1.00 0.00 H new ATOM 0 HD21 LEU B 84 21.545 19.734 2.496 1.00 0.00 H new ATOM 0 HD22 LEU B 84 20.834 19.428 4.099 1.00 0.00 H new ATOM 0 HD23 LEU B 84 22.602 19.424 3.894 1.00 0.00 H new ATOM 1223 N ARG B 85 19.290 15.381 6.094 1.00 0.00 N ATOM 1224 CA ARG B 85 18.896 14.153 6.763 1.00 0.00 C ATOM 1225 C ARG B 85 18.498 13.098 5.739 1.00 0.00 C ATOM 1226 O ARG B 85 17.400 12.553 5.791 1.00 0.00 O ATOM 1227 CB ARG B 85 17.780 14.415 7.778 1.00 0.00 C ATOM 1228 CG ARG B 85 18.278 15.331 8.889 1.00 0.00 C ATOM 1229 CD ARG B 85 17.245 15.404 10.016 1.00 0.00 C ATOM 1230 NE ARG B 85 16.003 16.046 9.568 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.796 17.364 9.621 1.00 0.00 C ATOM 1232 NH1 ARG B 85 16.745 18.189 10.064 1.00 0.00 N ATOM 1233 NH2 ARG B 85 14.630 17.866 9.230 1.00 0.00 N ATOM 0 H ARG B 85 18.612 15.714 5.408 1.00 0.00 H new ATOM 0 HA ARG B 85 19.750 13.769 7.321 1.00 0.00 H new ATOM 0 HB2 ARG B 85 16.925 14.870 7.279 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.436 13.472 8.202 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.226 14.960 9.278 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.465 16.329 8.492 1.00 0.00 H new ATOM 0 HD2 ARG B 85 17.027 14.399 10.376 1.00 0.00 H new ATOM 0 HD3 ARG B 85 17.661 15.960 10.856 1.00 0.00 H new ATOM 0 HE ARG B 85 15.260 15.454 9.197 1.00 0.00 H new ATOM 0 HH11 ARG B 85 17.644 17.816 10.368 1.00 0.00 H new ATOM 0 HH12 ARG B 85 16.572 19.194 10.099 1.00 0.00 H new ATOM 0 HH21 ARG B 85 13.896 17.245 8.890 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.469 18.872 9.269 1.00 0.00 H new ATOM 1247 N VAL B 86 19.402 12.814 4.798 1.00 0.00 N ATOM 1248 CA VAL B 86 19.188 11.753 3.829 1.00 0.00 C ATOM 1249 C VAL B 86 19.555 10.430 4.502 1.00 0.00 C ATOM 1250 O VAL B 86 20.725 10.054 4.568 1.00 0.00 O ATOM 1251 CB VAL B 86 20.000 12.030 2.550 1.00 0.00 C ATOM 1252 CG1 VAL B 86 21.472 12.352 2.824 1.00 0.00 C ATOM 1253 CG2 VAL B 86 19.918 10.832 1.601 1.00 0.00 C ATOM 0 H VAL B 86 20.288 13.308 4.692 1.00 0.00 H new ATOM 0 HA VAL B 86 18.146 11.702 3.514 1.00 0.00 H new ATOM 0 HB VAL B 86 19.554 12.913 2.093 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.986 12.537 1.881 1.00 0.00 H new ATOM 0 HG12 VAL B 86 21.539 13.239 3.453 1.00 0.00 H new ATOM 0 HG13 VAL B 86 21.940 11.510 3.333 1.00 0.00 H new ATOM 0 HG21 VAL B 86 20.496 11.041 0.701 1.00 0.00 H new ATOM 0 HG22 VAL B 86 20.322 9.948 2.095 1.00 0.00 H new ATOM 0 HG23 VAL B 86 18.877 10.653 1.330 1.00 0.00 H new ATOM 1263 N GLU B 87 18.543 9.722 5.005 1.00 0.00 N ATOM 1264 CA GLU B 87 18.731 8.449 5.688 1.00 0.00 C ATOM 1265 C GLU B 87 17.474 7.585 5.576 1.00 0.00 C ATOM 1266 O GLU B 87 16.430 8.057 5.140 1.00 0.00 O ATOM 1267 CB GLU B 87 19.088 8.703 7.158 1.00 0.00 C ATOM 1268 CG GLU B 87 17.957 9.449 7.882 1.00 0.00 C ATOM 1269 CD GLU B 87 18.288 9.692 9.351 1.00 0.00 C ATOM 1270 OE1 GLU B 87 19.357 9.214 9.800 1.00 0.00 O ATOM 1271 OE2 GLU B 87 17.464 10.353 10.020 1.00 0.00 O ATOM 0 H GLU B 87 17.569 10.019 4.948 1.00 0.00 H new ATOM 0 HA GLU B 87 19.550 7.908 5.213 1.00 0.00 H new ATOM 0 HB2 GLU B 87 19.280 7.754 7.658 1.00 0.00 H new ATOM 0 HB3 GLU B 87 20.007 9.285 7.217 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.776 10.403 7.387 1.00 0.00 H new ATOM 0 HG3 GLU B 87 17.035 8.872 7.808 1.00 0.00 H new ATOM 1278 N PHE B 88 17.576 6.314 5.966 1.00 0.00 N ATOM 1279 CA PHE B 88 16.459 5.382 5.902 1.00 0.00 C ATOM 1280 C PHE B 88 15.305 5.753 6.836 1.00 0.00 C ATOM 1281 O PHE B 88 15.535 6.378 7.872 1.00 0.00 O ATOM 1282 CB PHE B 88 16.952 3.962 6.186 1.00 0.00 C ATOM 1283 CG PHE B 88 17.814 3.379 5.088 1.00 0.00 C ATOM 1284 CD1 PHE B 88 19.202 3.545 5.133 1.00 0.00 C ATOM 1285 CD2 PHE B 88 17.225 2.671 4.030 1.00 0.00 C ATOM 1286 CE1 PHE B 88 20.008 3.002 4.123 1.00 0.00 C ATOM 1287 CE2 PHE B 88 18.033 2.122 3.021 1.00 0.00 C ATOM 1288 CZ PHE B 88 19.425 2.287 3.069 1.00 0.00 C ATOM 0 H PHE B 88 18.435 5.906 6.334 1.00 0.00 H new ATOM 0 HA PHE B 88 16.055 5.437 4.891 1.00 0.00 H new ATOM 0 HB2 PHE B 88 17.520 3.965 7.117 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.090 3.313 6.340 1.00 0.00 H new ATOM 0 HD1 PHE B 88 19.653 4.092 5.947 1.00 0.00 H new ATOM 0 HD2 PHE B 88 16.153 2.548 3.991 1.00 0.00 H new ATOM 0 HE1 PHE B 88 21.079 3.135 4.157 1.00 0.00 H new ATOM 0 HE2 PHE B 88 17.582 1.573 2.208 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.047 1.863 2.294 1.00 0.00 H new ATOM 1298 N PRO B 89 14.067 5.373 6.482 1.00 0.00 N ATOM 1299 CA PRO B 89 12.890 5.605 7.298 1.00 0.00 C ATOM 1300 C PRO B 89 12.977 4.823 8.610 1.00 0.00 C ATOM 1301 O PRO B 89 12.669 5.431 9.658 1.00 0.00 O ATOM 1302 CB PRO B 89 11.704 5.148 6.454 1.00 0.00 C ATOM 1303 CG PRO B 89 12.311 4.164 5.448 1.00 0.00 C ATOM 1304 CD PRO B 89 13.731 4.679 5.256 1.00 0.00 C ATOM 0 HA PRO B 89 12.792 6.654 7.577 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.940 4.669 7.067 1.00 0.00 H new ATOM 0 HB3 PRO B 89 11.227 5.989 5.950 1.00 0.00 H new ATOM 0 HG2 PRO B 89 12.303 3.143 5.831 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.757 4.157 4.510 1.00 0.00 H new ATOM 0 HD2 PRO B 89 14.423 3.858 5.069 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.792 5.349 4.398 1.00 0.00 H new