USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 319 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 : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ -108:sc= 0.926 (180deg=-0.00466) USER MOD Single : B 8 LYS NZ :NH3+ -109:sc= 0.0876 (180deg=-0.433) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 11 SER OG : rot -24:sc= 1.27 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot -54:sc= 1.2 USER MOD Single : B 19 TYR OH : rot 180:sc= -0.0189 USER MOD Single : B 21 ASN : amide:sc= 0.00293 X(o=0.0029,f=0) USER MOD Single : B 22 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : B 27 SER OG : rot -74:sc= 1.33 USER MOD Single : B 28 GLN :FLIP amide:sc= -0.0735 F(o=-0.72,f=-0.073) USER MOD Single : B 33 SER OG : rot -179:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 5 -44.944 -0.207 52.057 1.00 0.00 N ATOM 69 CA VAL A 5 -44.918 0.111 50.587 1.00 0.00 C ATOM 70 C VAL A 5 -46.235 -0.443 49.916 1.00 0.00 C ATOM 71 O VAL A 5 -46.617 -1.592 50.174 1.00 0.00 O ATOM 72 CB VAL A 5 -43.578 -0.387 49.921 1.00 0.00 C ATOM 73 CG1 VAL A 5 -43.334 0.180 48.501 1.00 0.00 C ATOM 74 CG2 VAL A 5 -42.274 -0.065 50.701 1.00 0.00 C ATOM 0 HA VAL A 5 -44.916 1.189 50.428 1.00 0.00 H new ATOM 0 HB VAL A 5 -43.756 -1.462 49.912 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -42.393 -0.209 48.111 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -44.151 -0.120 47.844 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -43.286 1.268 48.547 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -41.416 -0.453 50.152 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -42.174 1.015 50.813 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -42.315 -0.530 51.686 1.00 0.00 H new ATOM 84 N ARG A 6 -46.991 0.381 49.148 1.00 0.00 N ATOM 85 CA ARG A 6 -48.435 0.104 48.830 1.00 0.00 C ATOM 86 C ARG A 6 -48.905 0.316 47.345 1.00 0.00 C ATOM 87 O ARG A 6 -48.301 1.060 46.569 1.00 0.00 O ATOM 88 CB ARG A 6 -49.330 0.936 49.812 1.00 0.00 C ATOM 89 CG ARG A 6 -49.310 0.581 51.326 1.00 0.00 C ATOM 90 CD ARG A 6 -50.066 -0.696 51.768 1.00 0.00 C ATOM 91 NE ARG A 6 -49.352 -1.938 51.347 1.00 0.00 N ATOM 92 CZ ARG A 6 -49.807 -2.812 50.427 1.00 0.00 C ATOM 93 NH1 ARG A 6 -51.048 -2.895 50.033 1.00 0.00 N ATOM 94 NH2 ARG A 6 -48.962 -3.609 49.852 1.00 0.00 N ATOM 0 H ARG A 6 -46.636 1.243 48.734 1.00 0.00 H new ATOM 0 HA ARG A 6 -48.549 -0.972 48.965 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -49.042 1.983 49.715 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -50.361 0.856 49.468 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -48.269 0.480 51.635 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -49.725 1.426 51.876 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -50.181 -0.693 52.852 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -51.069 -0.691 51.341 1.00 0.00 H new ATOM 0 HE ARG A 6 -48.455 -2.140 51.788 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -51.751 -2.270 50.427 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -51.315 -3.585 49.331 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -47.973 -3.568 50.098 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -49.286 -4.278 49.153 1.00 0.00 H new ATOM 125 N PRO A 8 -51.745 2.364 45.398 1.00 0.00 N ATOM 126 CA PRO A 8 -52.724 3.469 45.619 1.00 0.00 C ATOM 127 C PRO A 8 -54.171 3.292 45.015 1.00 0.00 C ATOM 128 O PRO A 8 -55.097 3.214 45.833 1.00 0.00 O ATOM 129 CB PRO A 8 -51.943 4.730 45.191 1.00 0.00 C ATOM 130 CG PRO A 8 -50.749 4.276 44.350 1.00 0.00 C ATOM 131 CD PRO A 8 -50.555 2.789 44.634 1.00 0.00 C ATOM 0 HA PRO A 8 -53.040 3.515 46.661 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -52.583 5.399 44.616 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -51.605 5.286 46.066 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -50.935 4.447 43.290 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -49.854 4.840 44.612 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -50.463 2.223 43.707 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -49.642 2.616 45.204 1.00 0.00 H new ATOM 139 N PRO A 9 -54.472 3.194 43.680 1.00 0.00 N ATOM 140 CA PRO A 9 -55.830 2.845 43.177 1.00 0.00 C ATOM 141 C PRO A 9 -56.159 1.332 43.409 1.00 0.00 C ATOM 142 O PRO A 9 -55.809 0.435 42.632 1.00 0.00 O ATOM 143 CB PRO A 9 -55.743 3.272 41.703 1.00 0.00 C ATOM 144 CG PRO A 9 -54.287 3.000 41.342 1.00 0.00 C ATOM 145 CD PRO A 9 -53.503 3.402 42.588 1.00 0.00 C ATOM 0 HA PRO A 9 -56.654 3.339 43.691 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -56.426 2.698 41.077 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -56.000 4.323 41.573 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -54.129 1.950 41.095 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -53.978 3.582 40.474 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -52.612 2.788 42.718 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -53.171 4.439 42.537 1.00 0.00 H new ATOM 153 N LYS A 10 -56.794 1.095 44.560 1.00 0.00 N ATOM 154 CA LYS A 10 -56.953 -0.255 45.168 1.00 0.00 C ATOM 155 C LYS A 10 -57.608 -1.326 44.224 1.00 0.00 C ATOM 156 O LYS A 10 -58.812 -1.325 43.957 1.00 0.00 O ATOM 157 CB LYS A 10 -57.678 -0.023 46.528 1.00 0.00 C ATOM 158 CG LYS A 10 -57.981 -1.241 47.441 1.00 0.00 C ATOM 159 CD LYS A 10 -56.779 -2.167 47.765 1.00 0.00 C ATOM 160 CE LYS A 10 -56.902 -3.533 47.065 1.00 0.00 C ATOM 161 NZ LYS A 10 -55.565 -4.253 47.023 1.00 0.00 N ATOM 0 H LYS A 10 -57.223 1.837 45.113 1.00 0.00 H new ATOM 0 HA LYS A 10 -55.983 -0.722 45.339 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -57.076 0.678 47.106 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -58.626 0.471 46.315 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -58.392 -0.872 48.380 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -58.758 -1.841 46.967 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -55.853 -1.682 47.455 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -56.715 -2.316 48.843 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -57.633 -4.149 47.590 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -57.274 -3.392 46.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -55.679 -5.170 46.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -54.876 -3.675 46.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -55.223 -4.408 47.993 1.00 0.00 H new ATOM 213 N LYS B 1 -35.622 12.915 33.003 1.00 0.00 N ATOM 214 CA LYS B 1 -34.912 12.383 34.202 1.00 0.00 C ATOM 215 C LYS B 1 -35.812 12.566 35.478 1.00 0.00 C ATOM 216 O LYS B 1 -36.177 13.698 35.800 1.00 0.00 O ATOM 217 CB LYS B 1 -33.528 13.113 34.276 1.00 0.00 C ATOM 218 CG LYS B 1 -32.415 12.557 35.216 1.00 0.00 C ATOM 219 CD LYS B 1 -32.760 12.620 36.718 1.00 0.00 C ATOM 220 CE LYS B 1 -31.606 12.352 37.702 1.00 0.00 C ATOM 221 NZ LYS B 1 -32.159 12.440 39.091 1.00 0.00 N ATOM 0 H1 LYS B 1 -35.023 12.792 32.162 1.00 0.00 H new ATOM 0 H2 LYS B 1 -36.515 12.399 32.871 1.00 0.00 H new ATOM 0 H3 LYS B 1 -35.824 13.926 33.139 1.00 0.00 H new ATOM 0 HA LYS B 1 -34.724 11.311 34.139 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -33.119 13.140 33.266 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -33.719 14.145 34.571 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -32.212 11.521 34.945 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -31.496 13.118 35.043 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -33.168 13.608 36.933 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -33.552 11.898 36.916 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -31.174 11.367 37.525 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -30.807 13.081 37.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -31.818 13.311 39.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -33.198 12.454 39.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -31.845 11.616 39.642 1.00 0.00 H new ATOM 237 N LEU B 2 -36.156 11.487 36.212 1.00 0.00 N ATOM 238 CA LEU B 2 -36.962 11.583 37.476 1.00 0.00 C ATOM 239 C LEU B 2 -36.253 12.282 38.713 1.00 0.00 C ATOM 240 O LEU B 2 -35.031 12.476 38.673 1.00 0.00 O ATOM 241 CB LEU B 2 -37.460 10.142 37.804 1.00 0.00 C ATOM 242 CG LEU B 2 -36.404 9.195 38.442 1.00 0.00 C ATOM 243 CD1 LEU B 2 -36.568 9.163 39.965 1.00 0.00 C ATOM 244 CD2 LEU B 2 -36.503 7.767 37.888 1.00 0.00 C ATOM 0 H LEU B 2 -35.894 10.533 35.962 1.00 0.00 H new ATOM 0 HA LEU B 2 -37.791 12.267 37.291 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -38.311 10.216 38.481 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -37.823 9.684 36.884 1.00 0.00 H new ATOM 0 HG LEU B 2 -35.421 9.591 38.185 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -35.822 8.496 40.397 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -36.433 10.167 40.367 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -37.566 8.803 40.216 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -35.747 7.140 38.361 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -37.493 7.363 38.098 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -36.339 7.783 36.811 1.00 0.00 H new ATOM 256 N PRO B 3 -36.920 12.635 39.851 1.00 0.00 N ATOM 257 CA PRO B 3 -36.277 13.431 40.925 1.00 0.00 C ATOM 258 C PRO B 3 -35.148 12.827 41.864 1.00 0.00 C ATOM 259 O PRO B 3 -35.079 11.607 42.085 1.00 0.00 O ATOM 260 CB PRO B 3 -37.484 14.023 41.673 1.00 0.00 C ATOM 261 CG PRO B 3 -38.742 13.720 40.867 1.00 0.00 C ATOM 262 CD PRO B 3 -38.378 12.507 40.026 1.00 0.00 C ATOM 0 HA PRO B 3 -35.599 14.142 40.452 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -37.560 13.593 42.672 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -37.363 15.099 41.798 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -39.589 13.510 41.520 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -39.024 14.566 40.240 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -38.642 11.576 40.528 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -38.899 12.511 39.069 1.00 0.00 H new ATOM 270 N PRO B 4 -34.225 13.661 42.440 1.00 0.00 N ATOM 271 CA PRO B 4 -33.197 13.193 43.408 1.00 0.00 C ATOM 272 C PRO B 4 -33.796 12.882 44.821 1.00 0.00 C ATOM 273 O PRO B 4 -34.522 13.692 45.404 1.00 0.00 O ATOM 274 CB PRO B 4 -32.216 14.381 43.382 1.00 0.00 C ATOM 275 CG PRO B 4 -33.083 15.627 43.167 1.00 0.00 C ATOM 276 CD PRO B 4 -34.327 15.137 42.422 1.00 0.00 C ATOM 0 HA PRO B 4 -32.728 12.242 43.156 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -31.657 14.449 44.316 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -31.486 14.269 42.581 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -33.351 16.087 44.118 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -32.550 16.381 42.587 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -35.240 15.476 42.912 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -34.352 15.519 41.401 1.00 0.00 H new ATOM 284 N GLY B 5 -33.535 11.674 45.326 1.00 0.00 N ATOM 285 CA GLY B 5 -34.341 11.100 46.441 1.00 0.00 C ATOM 286 C GLY B 5 -35.516 10.164 46.071 1.00 0.00 C ATOM 287 O GLY B 5 -36.442 10.055 46.876 1.00 0.00 O ATOM 0 H GLY B 5 -32.784 11.069 44.995 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -33.665 10.548 47.094 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -34.743 11.928 47.025 1.00 0.00 H new ATOM 291 N TRP B 6 -35.475 9.440 44.940 1.00 0.00 N ATOM 292 CA TRP B 6 -36.463 8.397 44.599 1.00 0.00 C ATOM 293 C TRP B 6 -35.874 6.962 44.540 1.00 0.00 C ATOM 294 O TRP B 6 -34.673 6.772 44.322 1.00 0.00 O ATOM 295 CB TRP B 6 -36.914 8.854 43.185 1.00 0.00 C ATOM 296 CG TRP B 6 -38.154 9.726 43.225 1.00 0.00 C ATOM 297 CD1 TRP B 6 -38.138 11.114 43.409 1.00 0.00 C ATOM 298 CD2 TRP B 6 -39.452 9.329 43.405 1.00 0.00 C ATOM 299 NE1 TRP B 6 -39.396 11.610 43.779 1.00 0.00 N ATOM 300 CE2 TRP B 6 -40.186 10.480 43.803 1.00 0.00 C ATOM 301 CE3 TRP B 6 -40.078 8.051 43.317 1.00 0.00 C ATOM 302 CZ2 TRP B 6 -41.534 10.362 44.178 1.00 0.00 C ATOM 303 CZ3 TRP B 6 -41.432 7.991 43.654 1.00 0.00 C ATOM 304 CH2 TRP B 6 -42.140 9.114 44.096 1.00 0.00 C ATOM 0 H TRP B 6 -34.752 9.561 44.231 1.00 0.00 H new ATOM 0 HA TRP B 6 -37.253 8.318 45.346 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -36.102 9.404 42.708 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -37.110 7.977 42.568 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -37.260 11.730 43.281 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -39.662 12.574 43.981 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -39.532 7.173 43.005 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -42.088 11.223 44.523 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -41.950 7.047 43.571 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -43.177 9.009 44.379 1.00 0.00 H new ATOM 315 N GLU B 7 -36.757 5.943 44.588 1.00 0.00 N ATOM 316 CA GLU B 7 -36.455 4.639 43.972 1.00 0.00 C ATOM 317 C GLU B 7 -37.704 3.812 43.539 1.00 0.00 C ATOM 318 O GLU B 7 -38.713 3.700 44.233 1.00 0.00 O ATOM 319 CB GLU B 7 -35.553 3.791 44.930 1.00 0.00 C ATOM 320 CG GLU B 7 -34.763 2.597 44.315 1.00 0.00 C ATOM 321 CD GLU B 7 -34.709 1.332 45.156 1.00 0.00 C ATOM 322 OE1 GLU B 7 -34.395 1.399 46.362 1.00 0.00 O ATOM 323 OE2 GLU B 7 -35.002 0.247 44.618 1.00 0.00 O ATOM 0 H GLU B 7 -37.670 5.998 45.040 1.00 0.00 H new ATOM 0 HA GLU B 7 -35.927 4.869 43.047 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -34.834 4.464 45.396 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -36.186 3.399 45.727 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -35.208 2.350 43.351 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.742 2.924 44.120 1.00 0.00 H new ATOM 330 N LYS B 8 -37.573 3.148 42.387 1.00 0.00 N ATOM 331 CA LYS B 8 -38.507 2.081 41.933 1.00 0.00 C ATOM 332 C LYS B 8 -38.663 0.844 42.894 1.00 0.00 C ATOM 333 O LYS B 8 -37.649 0.254 43.281 1.00 0.00 O ATOM 334 CB LYS B 8 -38.161 1.724 40.453 1.00 0.00 C ATOM 335 CG LYS B 8 -36.783 1.073 40.153 1.00 0.00 C ATOM 336 CD LYS B 8 -36.766 -0.468 40.312 1.00 0.00 C ATOM 337 CE LYS B 8 -35.375 -1.067 40.621 1.00 0.00 C ATOM 338 NZ LYS B 8 -35.052 -0.776 42.063 1.00 0.00 N ATOM 0 H LYS B 8 -36.814 3.328 41.729 1.00 0.00 H new ATOM 0 HA LYS B 8 -39.519 2.483 41.977 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -38.934 1.050 40.085 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -38.231 2.640 39.866 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -36.487 1.326 39.135 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -36.036 1.505 40.819 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -37.452 -0.745 41.112 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -37.146 -0.919 39.395 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -35.374 -2.142 40.440 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -34.619 -0.633 39.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -34.298 -0.061 42.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -35.902 -0.417 42.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.732 -1.649 42.530 1.00 0.00 H new ATOM 352 N ARG B 9 -39.893 0.427 43.285 1.00 0.00 N ATOM 353 CA ARG B 9 -40.068 -0.673 44.292 1.00 0.00 C ATOM 354 C ARG B 9 -41.044 -1.745 43.788 1.00 0.00 C ATOM 355 O ARG B 9 -42.232 -1.489 43.669 1.00 0.00 O ATOM 356 CB ARG B 9 -40.459 -0.164 45.700 1.00 0.00 C ATOM 357 CG ARG B 9 -39.265 0.496 46.408 1.00 0.00 C ATOM 358 CD ARG B 9 -39.300 0.393 47.951 1.00 0.00 C ATOM 359 NE ARG B 9 -38.262 1.250 48.605 1.00 0.00 N ATOM 360 CZ ARG B 9 -36.960 1.200 48.299 1.00 0.00 C ATOM 361 NH1 ARG B 9 -36.367 0.147 47.818 1.00 0.00 N ATOM 362 NH2 ARG B 9 -36.239 2.255 48.422 1.00 0.00 N ATOM 0 H ARG B 9 -40.766 0.819 42.933 1.00 0.00 H new ATOM 0 HA ARG B 9 -39.087 -1.134 44.405 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -41.276 0.553 45.616 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -40.826 -0.996 46.301 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -38.345 0.037 46.046 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -39.228 1.549 46.127 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -40.287 0.686 48.309 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -39.149 -0.645 48.246 1.00 0.00 H new ATOM 0 HE ARG B 9 -38.563 1.908 49.323 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -36.899 -0.707 47.653 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -35.370 0.176 47.606 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -36.659 3.124 48.751 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -35.246 2.224 48.191 1.00 0.00 H new ATOM 376 N MET B 10 -40.518 -2.907 43.415 1.00 0.00 N ATOM 377 CA MET B 10 -40.897 -3.545 42.138 1.00 0.00 C ATOM 378 C MET B 10 -41.654 -4.907 42.275 1.00 0.00 C ATOM 379 O MET B 10 -41.104 -5.851 42.850 1.00 0.00 O ATOM 380 CB MET B 10 -39.526 -3.600 41.400 1.00 0.00 C ATOM 381 CG MET B 10 -39.511 -4.412 40.100 1.00 0.00 C ATOM 382 SD MET B 10 -38.517 -3.630 38.818 1.00 0.00 S ATOM 383 CE MET B 10 -39.731 -2.424 38.252 1.00 0.00 C ATOM 0 H MET B 10 -39.835 -3.429 43.964 1.00 0.00 H new ATOM 0 HA MET B 10 -41.656 -2.994 41.582 1.00 0.00 H new ATOM 0 HB2 MET B 10 -39.212 -2.581 41.175 1.00 0.00 H new ATOM 0 HB3 MET B 10 -38.784 -4.019 42.079 1.00 0.00 H new ATOM 0 HG2 MET B 10 -39.121 -5.410 40.302 1.00 0.00 H new ATOM 0 HG3 MET B 10 -40.532 -4.536 39.740 1.00 0.00 H new ATOM 0 HE1 MET B 10 -39.304 -1.829 37.445 1.00 0.00 H new ATOM 0 HE2 MET B 10 -40.618 -2.943 37.889 1.00 0.00 H new ATOM 0 HE3 MET B 10 -40.007 -1.770 39.079 1.00 0.00 H new ATOM 393 N SER B 11 -42.815 -5.070 41.593 1.00 0.00 N ATOM 394 CA SER B 11 -43.334 -6.409 41.187 1.00 0.00 C ATOM 395 C SER B 11 -44.045 -7.283 42.280 1.00 0.00 C ATOM 396 O SER B 11 -43.896 -7.104 43.491 1.00 0.00 O ATOM 397 CB SER B 11 -42.329 -7.180 40.292 1.00 0.00 C ATOM 398 OG SER B 11 -41.286 -7.781 41.060 1.00 0.00 O ATOM 0 H SER B 11 -43.413 -4.293 41.311 1.00 0.00 H new ATOM 0 HA SER B 11 -44.195 -6.161 40.566 1.00 0.00 H new ATOM 0 HB2 SER B 11 -42.858 -7.951 39.732 1.00 0.00 H new ATOM 0 HB3 SER B 11 -41.895 -6.497 39.562 1.00 0.00 H new ATOM 0 HG SER B 11 -41.186 -7.301 41.908 1.00 0.00 H new ATOM 404 N ARG B 12 -44.881 -8.225 41.812 1.00 0.00 N ATOM 405 CA ARG B 12 -45.597 -9.213 42.661 1.00 0.00 C ATOM 406 C ARG B 12 -45.892 -10.553 41.897 1.00 0.00 C ATOM 407 O ARG B 12 -45.558 -11.626 42.398 1.00 0.00 O ATOM 408 CB ARG B 12 -46.825 -8.534 43.323 1.00 0.00 C ATOM 409 CG ARG B 12 -47.977 -7.995 42.427 1.00 0.00 C ATOM 410 CD ARG B 12 -48.758 -6.816 43.040 1.00 0.00 C ATOM 411 NE ARG B 12 -49.485 -7.173 44.293 1.00 0.00 N ATOM 412 CZ ARG B 12 -50.815 -7.289 44.414 1.00 0.00 C ATOM 413 NH1 ARG B 12 -51.631 -7.440 43.422 1.00 0.00 N ATOM 414 NH2 ARG B 12 -51.352 -7.173 45.587 1.00 0.00 N ATOM 0 H ARG B 12 -45.087 -8.329 40.818 1.00 0.00 H new ATOM 0 HA ARG B 12 -44.952 -9.536 43.478 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -47.260 -9.252 44.018 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -46.455 -7.699 43.918 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -47.561 -7.681 41.470 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -48.673 -8.809 42.221 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -48.065 -6.001 43.251 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -49.474 -6.444 42.307 1.00 0.00 H new ATOM 0 HE ARG B 12 -48.923 -7.343 45.127 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -51.272 -7.478 42.468 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -52.633 -7.521 43.594 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -50.764 -6.996 46.402 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -52.363 -7.259 45.696 1.00 0.00 H new ATOM 428 N SER B 13 -46.480 -10.499 40.686 1.00 0.00 N ATOM 429 CA SER B 13 -46.373 -11.595 39.675 1.00 0.00 C ATOM 430 C SER B 13 -45.306 -11.294 38.562 1.00 0.00 C ATOM 431 O SER B 13 -44.326 -12.030 38.444 1.00 0.00 O ATOM 432 CB SER B 13 -47.790 -11.917 39.134 1.00 0.00 C ATOM 433 OG SER B 13 -48.388 -10.813 38.441 1.00 0.00 O ATOM 0 H SER B 13 -47.040 -9.706 40.373 1.00 0.00 H new ATOM 0 HA SER B 13 -45.988 -12.496 40.154 1.00 0.00 H new ATOM 0 HB2 SER B 13 -47.731 -12.772 38.461 1.00 0.00 H new ATOM 0 HB3 SER B 13 -48.433 -12.209 39.965 1.00 0.00 H new ATOM 0 HG SER B 13 -49.277 -11.071 38.120 1.00 0.00 H new ATOM 439 N SER B 14 -45.483 -10.220 37.766 1.00 0.00 N ATOM 440 CA SER B 14 -44.534 -9.830 36.676 1.00 0.00 C ATOM 441 C SER B 14 -43.883 -8.413 36.848 1.00 0.00 C ATOM 442 O SER B 14 -42.658 -8.304 36.912 1.00 0.00 O ATOM 443 CB SER B 14 -45.250 -10.029 35.314 1.00 0.00 C ATOM 444 OG SER B 14 -46.385 -9.168 35.150 1.00 0.00 O ATOM 0 H SER B 14 -46.283 -9.593 37.852 1.00 0.00 H new ATOM 0 HA SER B 14 -43.665 -10.487 36.727 1.00 0.00 H new ATOM 0 HB2 SER B 14 -44.541 -9.846 34.506 1.00 0.00 H new ATOM 0 HB3 SER B 14 -45.572 -11.067 35.226 1.00 0.00 H new ATOM 0 HG SER B 14 -46.797 -9.333 34.276 1.00 0.00 H new ATOM 450 N GLY B 15 -44.676 -7.327 36.911 1.00 0.00 N ATOM 451 CA GLY B 15 -44.139 -5.937 37.020 1.00 0.00 C ATOM 452 C GLY B 15 -45.130 -4.838 37.473 1.00 0.00 C ATOM 453 O GLY B 15 -45.153 -3.747 36.902 1.00 0.00 O ATOM 0 H GLY B 15 -45.695 -7.375 36.889 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -43.303 -5.950 37.720 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -43.737 -5.651 36.048 1.00 0.00 H new ATOM 457 N ARG B 16 -45.926 -5.118 38.518 1.00 0.00 N ATOM 458 CA ARG B 16 -46.765 -4.118 39.231 1.00 0.00 C ATOM 459 C ARG B 16 -46.349 -3.913 40.720 1.00 0.00 C ATOM 460 O ARG B 16 -45.922 -4.829 41.413 1.00 0.00 O ATOM 461 CB ARG B 16 -48.275 -4.468 39.038 1.00 0.00 C ATOM 462 CG ARG B 16 -49.077 -3.405 38.251 1.00 0.00 C ATOM 463 CD ARG B 16 -48.543 -3.205 36.820 1.00 0.00 C ATOM 464 NE ARG B 16 -49.302 -2.092 36.178 1.00 0.00 N ATOM 465 CZ ARG B 16 -48.767 -1.099 35.472 1.00 0.00 C ATOM 466 NH1 ARG B 16 -47.528 -1.080 35.065 1.00 0.00 N ATOM 467 NH2 ARG B 16 -49.520 -0.091 35.170 1.00 0.00 N ATOM 0 H ARG B 16 -46.012 -6.058 38.904 1.00 0.00 H new ATOM 0 HA ARG B 16 -46.591 -3.140 38.781 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -48.351 -5.423 38.518 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -48.734 -4.601 40.018 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -50.124 -3.704 38.206 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -49.039 -2.456 38.786 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -47.478 -2.973 36.843 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -48.657 -4.122 36.242 1.00 0.00 H new ATOM 0 HE ARG B 16 -50.316 -2.092 36.290 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -46.907 -1.859 35.285 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -47.180 -0.287 34.526 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -50.494 -0.073 35.472 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -49.140 0.686 34.630 1.00 0.00 H new ATOM 481 N VAL B 17 -46.468 -2.666 41.178 1.00 0.00 N ATOM 482 CA VAL B 17 -45.506 -2.034 42.127 1.00 0.00 C ATOM 483 C VAL B 17 -44.154 -1.665 41.445 1.00 0.00 C ATOM 484 O VAL B 17 -43.601 -2.482 40.709 1.00 0.00 O ATOM 485 CB VAL B 17 -45.596 -2.415 43.643 1.00 0.00 C ATOM 486 CG1 VAL B 17 -44.746 -3.608 44.124 1.00 0.00 C ATOM 487 CG2 VAL B 17 -45.383 -1.226 44.612 1.00 0.00 C ATOM 0 H VAL B 17 -47.234 -2.049 40.908 1.00 0.00 H new ATOM 0 HA VAL B 17 -45.887 -1.042 42.370 1.00 0.00 H new ATOM 0 HB VAL B 17 -46.634 -2.745 43.685 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -44.904 -3.761 45.192 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -45.040 -4.507 43.582 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -43.692 -3.402 43.939 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -45.462 -1.577 45.641 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -44.394 -0.797 44.449 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -46.143 -0.466 44.429 1.00 0.00 H new ATOM 497 N TYR B 18 -43.730 -0.386 41.533 1.00 0.00 N ATOM 498 CA TYR B 18 -42.536 0.160 40.860 1.00 0.00 C ATOM 499 C TYR B 18 -42.154 1.636 41.279 1.00 0.00 C ATOM 500 O TYR B 18 -41.289 2.182 40.602 1.00 0.00 O ATOM 501 CB TYR B 18 -42.514 -0.108 39.320 1.00 0.00 C ATOM 502 CG TYR B 18 -43.776 0.284 38.542 1.00 0.00 C ATOM 503 CD1 TYR B 18 -44.049 1.633 38.351 1.00 0.00 C ATOM 504 CD2 TYR B 18 -44.787 -0.660 38.348 1.00 0.00 C ATOM 505 CE1 TYR B 18 -45.344 2.049 38.079 1.00 0.00 C ATOM 506 CE2 TYR B 18 -46.089 -0.243 38.106 1.00 0.00 C ATOM 507 CZ TYR B 18 -46.370 1.111 37.954 1.00 0.00 C ATOM 508 OH TYR B 18 -47.670 1.520 37.828 1.00 0.00 O ATOM 0 H TYR B 18 -44.223 0.312 42.089 1.00 0.00 H new ATOM 0 HA TYR B 18 -41.707 -0.427 41.255 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -41.668 0.429 38.892 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -42.331 -1.171 39.161 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -43.252 2.359 38.414 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -44.556 -1.714 38.386 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -45.559 3.101 37.964 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -46.884 -0.970 38.036 1.00 0.00 H new ATOM 0 HH TYR B 18 -47.898 2.119 38.569 1.00 0.00 H new ATOM 518 N TYR B 19 -42.597 2.253 42.409 1.00 0.00 N ATOM 519 CA TYR B 19 -42.124 3.620 42.857 1.00 0.00 C ATOM 520 C TYR B 19 -42.212 3.898 44.413 1.00 0.00 C ATOM 521 O TYR B 19 -43.084 3.418 45.140 1.00 0.00 O ATOM 522 CB TYR B 19 -42.785 4.760 42.014 1.00 0.00 C ATOM 523 CG TYR B 19 -42.172 5.084 40.642 1.00 0.00 C ATOM 524 CD1 TYR B 19 -40.860 5.560 40.525 1.00 0.00 C ATOM 525 CD2 TYR B 19 -42.914 4.848 39.484 1.00 0.00 C ATOM 526 CE1 TYR B 19 -40.282 5.736 39.271 1.00 0.00 C ATOM 527 CE2 TYR B 19 -42.337 5.023 38.228 1.00 0.00 C ATOM 528 CZ TYR B 19 -41.018 5.456 38.124 1.00 0.00 C ATOM 529 OH TYR B 19 -40.434 5.585 36.893 1.00 0.00 O ATOM 0 H TYR B 19 -43.283 1.834 43.037 1.00 0.00 H new ATOM 0 HA TYR B 19 -41.053 3.618 42.656 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -43.832 4.499 41.860 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.769 5.671 42.612 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -40.293 5.792 41.414 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -43.942 4.528 39.562 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -39.265 6.089 39.189 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -42.912 4.823 37.336 1.00 0.00 H new ATOM 0 HH TYR B 19 -41.083 5.351 36.197 1.00 0.00 H new ATOM 539 N PHE B 20 -41.280 4.724 44.918 1.00 0.00 N ATOM 540 CA PHE B 20 -41.133 5.106 46.358 1.00 0.00 C ATOM 541 C PHE B 20 -40.266 6.412 46.458 1.00 0.00 C ATOM 542 O PHE B 20 -39.213 6.520 45.827 1.00 0.00 O ATOM 543 CB PHE B 20 -40.479 3.919 47.132 1.00 0.00 C ATOM 544 CG PHE B 20 -40.090 4.130 48.609 1.00 0.00 C ATOM 545 CD1 PHE B 20 -38.869 4.709 48.929 1.00 0.00 C ATOM 546 CD2 PHE B 20 -40.925 3.707 49.628 1.00 0.00 C ATOM 547 CE1 PHE B 20 -38.494 4.885 50.255 1.00 0.00 C ATOM 548 CE2 PHE B 20 -40.560 3.879 50.960 1.00 0.00 C ATOM 549 CZ PHE B 20 -39.320 4.462 51.327 1.00 0.00 C ATOM 0 H PHE B 20 -40.578 5.166 44.325 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.105 5.311 46.806 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.167 3.075 47.088 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -39.579 3.626 46.591 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -38.204 5.026 48.139 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -41.868 3.239 49.388 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -37.548 5.357 50.475 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -41.240 3.560 51.736 1.00 0.00 H new ATOM 0 HZ PHE B 20 -39.023 4.577 52.359 1.00 0.00 H new ATOM 559 N ASN B 21 -40.653 7.382 47.297 1.00 0.00 N ATOM 560 CA ASN B 21 -39.817 8.583 47.589 1.00 0.00 C ATOM 561 C ASN B 21 -39.006 8.383 48.919 1.00 0.00 C ATOM 562 O ASN B 21 -39.586 8.077 49.959 1.00 0.00 O ATOM 563 CB ASN B 21 -40.790 9.794 47.672 1.00 0.00 C ATOM 564 CG ASN B 21 -40.295 11.218 47.415 1.00 0.00 C ATOM 565 OD1 ASN B 21 -41.052 12.095 47.023 1.00 0.00 O ATOM 566 ND2 ASN B 21 -39.055 11.538 47.635 1.00 0.00 N ATOM 0 H ASN B 21 -41.543 7.369 47.795 1.00 0.00 H new ATOM 0 HA ASN B 21 -39.075 8.753 46.808 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -41.598 9.604 46.966 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -41.229 9.783 48.669 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -38.740 12.496 47.480 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -38.396 10.831 47.963 1.00 0.00 H new ATOM 573 N HIS B 22 -37.679 8.594 48.923 1.00 0.00 N ATOM 574 CA HIS B 22 -36.858 8.546 50.180 1.00 0.00 C ATOM 575 C HIS B 22 -37.024 9.800 51.102 1.00 0.00 C ATOM 576 O HIS B 22 -37.363 9.671 52.278 1.00 0.00 O ATOM 577 CB HIS B 22 -35.365 8.312 49.810 1.00 0.00 C ATOM 578 CG HIS B 22 -34.998 6.872 49.494 1.00 0.00 C ATOM 579 ND1 HIS B 22 -34.420 6.024 50.414 1.00 0.00 N ATOM 580 CD2 HIS B 22 -35.107 6.234 48.252 1.00 0.00 C ATOM 581 CE1 HIS B 22 -34.191 4.935 49.622 1.00 0.00 C ATOM 582 NE2 HIS B 22 -34.590 4.951 48.314 1.00 0.00 N ATOM 0 H HIS B 22 -37.139 8.800 48.082 1.00 0.00 H new ATOM 0 HA HIS B 22 -37.233 7.712 50.773 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -35.119 8.931 48.947 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -34.744 8.656 50.637 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -35.535 6.681 47.367 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -33.697 4.064 50.027 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -34.526 4.230 47.595 1.00 0.00 H new ATOM 590 N ILE B 23 -36.778 11.001 50.561 1.00 0.00 N ATOM 591 CA ILE B 23 -36.850 12.300 51.306 1.00 0.00 C ATOM 592 C ILE B 23 -38.237 12.696 51.937 1.00 0.00 C ATOM 593 O ILE B 23 -38.242 13.262 53.031 1.00 0.00 O ATOM 594 CB ILE B 23 -36.191 13.444 50.443 1.00 0.00 C ATOM 595 CG1 ILE B 23 -36.788 13.584 49.009 1.00 0.00 C ATOM 596 CG2 ILE B 23 -34.645 13.305 50.402 1.00 0.00 C ATOM 597 CD1 ILE B 23 -36.305 14.758 48.151 1.00 0.00 C ATOM 0 H ILE B 23 -36.519 11.117 49.581 1.00 0.00 H new ATOM 0 HA ILE B 23 -36.265 12.144 52.212 1.00 0.00 H new ATOM 0 HB ILE B 23 -36.441 14.374 50.954 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -36.578 12.662 48.466 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -37.871 13.659 49.102 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -34.223 14.109 49.799 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -34.247 13.364 51.415 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -34.378 12.344 49.963 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -36.803 14.730 47.182 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -36.541 15.697 48.653 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -35.227 14.684 48.007 1.00 0.00 H new ATOM 609 N THR B 24 -39.389 12.380 51.310 1.00 0.00 N ATOM 610 CA THR B 24 -40.729 12.429 51.999 1.00 0.00 C ATOM 611 C THR B 24 -41.248 11.094 52.648 1.00 0.00 C ATOM 612 O THR B 24 -42.218 11.128 53.414 1.00 0.00 O ATOM 613 CB THR B 24 -41.786 13.105 51.057 1.00 0.00 C ATOM 614 OG1 THR B 24 -42.594 13.994 51.816 1.00 0.00 O ATOM 615 CG2 THR B 24 -42.774 12.248 50.263 1.00 0.00 C ATOM 0 H THR B 24 -39.436 12.088 50.334 1.00 0.00 H new ATOM 0 HA THR B 24 -40.571 13.047 52.883 1.00 0.00 H new ATOM 0 HB THR B 24 -41.129 13.549 50.309 1.00 0.00 H new ATOM 0 HG1 THR B 24 -43.254 14.418 51.229 1.00 0.00 H new ATOM 0 HG21 THR B 24 -43.423 12.894 49.672 1.00 0.00 H new ATOM 0 HG22 THR B 24 -42.225 11.580 49.600 1.00 0.00 H new ATOM 0 HG23 THR B 24 -43.379 11.659 50.952 1.00 0.00 H new ATOM 623 N ASN B 25 -40.699 9.917 52.284 1.00 0.00 N ATOM 624 CA ASN B 25 -41.298 8.580 52.570 1.00 0.00 C ATOM 625 C ASN B 25 -42.681 8.261 51.878 1.00 0.00 C ATOM 626 O ASN B 25 -43.398 7.368 52.337 1.00 0.00 O ATOM 627 CB ASN B 25 -41.178 8.259 54.091 1.00 0.00 C ATOM 628 CG ASN B 25 -41.114 6.772 54.450 1.00 0.00 C ATOM 629 OD1 ASN B 25 -42.114 6.087 54.655 1.00 0.00 O ATOM 630 ND2 ASN B 25 -39.934 6.221 54.568 1.00 0.00 N ATOM 0 H ASN B 25 -39.816 9.858 51.776 1.00 0.00 H new ATOM 0 HA ASN B 25 -40.694 7.840 52.045 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -40.283 8.747 54.477 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -42.030 8.702 54.606 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -39.854 5.238 54.826 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -39.094 6.775 54.402 1.00 0.00 H new ATOM 637 N ALA B 26 -43.045 8.890 50.736 1.00 0.00 N ATOM 638 CA ALA B 26 -44.158 8.393 49.870 1.00 0.00 C ATOM 639 C ALA B 26 -43.902 6.975 49.238 1.00 0.00 C ATOM 640 O ALA B 26 -42.761 6.526 49.090 1.00 0.00 O ATOM 641 CB ALA B 26 -44.461 9.470 48.813 1.00 0.00 C ATOM 0 H ALA B 26 -42.593 9.736 50.389 1.00 0.00 H new ATOM 0 HA ALA B 26 -45.034 8.232 50.498 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -45.271 9.129 48.168 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -44.757 10.394 49.310 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -43.570 9.650 48.211 1.00 0.00 H new ATOM 647 N SER B 27 -44.967 6.200 48.976 1.00 0.00 N ATOM 648 CA SER B 27 -44.839 4.766 48.582 1.00 0.00 C ATOM 649 C SER B 27 -46.046 4.312 47.708 1.00 0.00 C ATOM 650 O SER B 27 -47.206 4.469 48.103 1.00 0.00 O ATOM 651 CB SER B 27 -44.690 3.871 49.831 1.00 0.00 C ATOM 652 OG SER B 27 -43.774 4.387 50.803 1.00 0.00 O ATOM 0 H SER B 27 -45.930 6.532 49.027 1.00 0.00 H new ATOM 0 HA SER B 27 -43.938 4.660 47.978 1.00 0.00 H new ATOM 0 HB2 SER B 27 -45.668 3.746 50.296 1.00 0.00 H new ATOM 0 HB3 SER B 27 -44.356 2.881 49.520 1.00 0.00 H new ATOM 0 HG SER B 27 -42.856 4.271 50.481 1.00 0.00 H new ATOM 658 N GLN B 28 -45.778 3.825 46.488 1.00 0.00 N ATOM 659 CA GLN B 28 -46.739 3.947 45.353 1.00 0.00 C ATOM 660 C GLN B 28 -46.427 2.957 44.179 1.00 0.00 C ATOM 661 O GLN B 28 -45.419 2.245 44.124 1.00 0.00 O ATOM 662 CB GLN B 28 -46.811 5.454 44.911 1.00 0.00 C ATOM 663 CG GLN B 28 -45.495 6.095 44.402 1.00 0.00 C ATOM 664 CD GLN B 28 -45.449 7.592 44.666 1.00 0.00 C ATOM 665 OE1 GLN B 28 -45.753 8.387 43.682 1.00 0.00 O flip ATOM 666 NE2 GLN B 28 -45.187 8.058 45.768 1.00 0.00 N flip ATOM 0 H GLN B 28 -44.911 3.343 46.250 1.00 0.00 H new ATOM 0 HA GLN B 28 -47.730 3.642 45.688 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -47.559 5.542 44.123 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -47.169 6.040 45.757 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -44.646 5.615 44.889 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -45.393 5.913 43.332 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -44.948 7.437 46.541 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -45.207 9.067 45.913 1.00 0.00 H new ATOM 675 N TRP B 29 -47.302 2.996 43.174 1.00 0.00 N ATOM 676 CA TRP B 29 -46.952 2.568 41.787 1.00 0.00 C ATOM 677 C TRP B 29 -47.096 3.732 40.733 1.00 0.00 C ATOM 678 O TRP B 29 -47.528 3.508 39.600 1.00 0.00 O ATOM 679 CB TRP B 29 -47.676 1.212 41.520 1.00 0.00 C ATOM 680 CG TRP B 29 -49.161 1.101 41.164 1.00 0.00 C ATOM 681 CD1 TRP B 29 -50.038 2.118 40.758 1.00 0.00 C ATOM 682 CD2 TRP B 29 -49.924 -0.061 41.160 1.00 0.00 C ATOM 683 NE1 TRP B 29 -51.316 1.627 40.484 1.00 0.00 N ATOM 684 CE2 TRP B 29 -51.222 0.271 40.717 1.00 0.00 C ATOM 685 CE3 TRP B 29 -49.629 -1.389 41.567 1.00 0.00 C ATOM 686 CZ2 TRP B 29 -52.222 -0.724 40.623 1.00 0.00 C ATOM 687 CZ3 TRP B 29 -50.623 -2.362 41.454 1.00 0.00 C ATOM 688 CH2 TRP B 29 -51.898 -2.037 40.975 1.00 0.00 C ATOM 0 H TRP B 29 -48.264 3.318 43.278 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.889 2.358 41.667 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.130 0.727 40.711 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -47.529 0.605 42.413 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -49.758 3.157 40.668 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -52.135 2.153 40.180 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -48.654 -1.641 41.957 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -53.217 -0.474 40.286 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -50.406 -3.380 41.740 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -52.643 -2.813 40.876 1.00 0.00 H new ATOM 699 N GLU B 30 -46.703 4.970 41.098 1.00 0.00 N ATOM 700 CA GLU B 30 -47.024 6.199 40.320 1.00 0.00 C ATOM 701 C GLU B 30 -45.725 7.004 40.016 1.00 0.00 C ATOM 702 O GLU B 30 -44.867 7.230 40.880 1.00 0.00 O ATOM 703 CB GLU B 30 -48.056 7.110 41.053 1.00 0.00 C ATOM 704 CG GLU B 30 -49.394 6.489 41.527 1.00 0.00 C ATOM 705 CD GLU B 30 -50.381 5.978 40.495 1.00 0.00 C ATOM 706 OE1 GLU B 30 -50.263 6.297 39.297 1.00 0.00 O ATOM 707 OE2 GLU B 30 -51.306 5.252 40.914 1.00 0.00 O ATOM 0 H GLU B 30 -46.155 5.153 41.938 1.00 0.00 H new ATOM 0 HA GLU B 30 -47.479 5.875 39.384 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -47.561 7.533 41.927 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -48.294 7.940 40.388 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -49.153 5.658 42.190 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -49.908 7.238 42.129 1.00 0.00 H new ATOM 714 N ARG B 31 -45.590 7.442 38.762 1.00 0.00 N ATOM 715 CA ARG B 31 -44.348 8.075 38.253 1.00 0.00 C ATOM 716 C ARG B 31 -44.325 9.640 38.424 1.00 0.00 C ATOM 717 O ARG B 31 -45.177 10.301 37.818 1.00 0.00 O ATOM 718 CB ARG B 31 -44.261 7.680 36.750 1.00 0.00 C ATOM 719 CG ARG B 31 -42.931 8.054 36.044 1.00 0.00 C ATOM 720 CD ARG B 31 -43.031 8.063 34.508 1.00 0.00 C ATOM 721 NE ARG B 31 -43.705 9.314 34.056 1.00 0.00 N ATOM 722 CZ ARG B 31 -43.997 9.622 32.799 1.00 0.00 C ATOM 723 NH1 ARG B 31 -43.824 8.826 31.790 1.00 0.00 N ATOM 724 NH2 ARG B 31 -44.479 10.788 32.543 1.00 0.00 N ATOM 0 H ARG B 31 -46.331 7.373 38.064 1.00 0.00 H new ATOM 0 HA ARG B 31 -43.491 7.724 38.828 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -44.409 6.603 36.665 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -45.083 8.158 36.217 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -42.613 9.039 36.385 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -42.158 7.347 36.345 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -42.036 7.995 34.069 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -43.591 7.193 34.165 1.00 0.00 H new ATOM 0 HE ARG B 31 -43.964 9.990 34.774 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -43.440 7.893 31.937 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -44.072 9.133 30.850 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -44.630 11.455 33.300 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -44.710 11.045 31.583 1.00 0.00 H new ATOM 738 N PRO B 32 -43.326 10.295 39.094 1.00 0.00 N ATOM 739 CA PRO B 32 -43.220 11.787 39.098 1.00 0.00 C ATOM 740 C PRO B 32 -43.044 12.513 37.718 1.00 0.00 C ATOM 741 O PRO B 32 -43.578 13.601 37.510 1.00 0.00 O ATOM 742 CB PRO B 32 -41.989 12.046 39.988 1.00 0.00 C ATOM 743 CG PRO B 32 -41.767 10.769 40.771 1.00 0.00 C ATOM 744 CD PRO B 32 -42.318 9.620 39.935 1.00 0.00 C ATOM 0 HA PRO B 32 -44.168 12.201 39.442 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -41.115 12.291 39.384 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -42.161 12.889 40.657 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -40.706 10.622 40.973 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -42.271 10.818 41.736 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -41.541 9.145 39.336 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -42.762 8.842 40.556 1.00 0.00 H new ATOM 752 N SER B 33 -42.230 11.930 36.812 1.00 0.00 N ATOM 753 CA SER B 33 -41.686 12.598 35.585 1.00 0.00 C ATOM 754 C SER B 33 -40.358 13.405 35.814 1.00 0.00 C ATOM 755 O SER B 33 -39.398 13.226 35.057 1.00 0.00 O ATOM 756 CB SER B 33 -42.719 13.360 34.705 1.00 0.00 C ATOM 757 OG SER B 33 -43.992 12.708 34.688 1.00 0.00 O ATOM 0 H SER B 33 -41.920 10.963 36.905 1.00 0.00 H new ATOM 0 HA SER B 33 -41.408 11.741 34.972 1.00 0.00 H new ATOM 0 HB2 SER B 33 -42.837 14.376 35.082 1.00 0.00 H new ATOM 0 HB3 SER B 33 -42.339 13.440 33.687 1.00 0.00 H new ATOM 0 HG SER B 33 -44.608 13.209 34.114 1.00 0.00 H new