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 Set 1.1: B 21 ASN : amide:sc= 0.297 K(o=0.7,f=-0.31) USER MOD Set 1.2: B 24 THR OG1 : rot 137:sc= 0.401 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.19) USER MOD Single : B 10 MET CE :methyl -174:sc= 0 (180deg=-0.037) USER MOD Single : B 11 SER OG : rot -20:sc= 0.706 USER MOD Single : B 13 SER OG : rot 9:sc= 0.944 USER MOD Single : B 14 SER OG : rot 32:sc= 0.59 USER MOD Single : B 18 TYR OH : rot -26:sc= 1.2 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 98:sc= 1.28 USER MOD Single : B 28 GLN : amide:sc= -0.508 K(o=-0.51,f=0.071) USER MOD Single : B 33 SER OG : rot -43:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 5 -45.807 -0.728 52.080 1.00 0.00 N ATOM 69 CA VAL A 5 -45.605 -0.033 50.761 1.00 0.00 C ATOM 70 C VAL A 5 -46.895 -0.142 49.848 1.00 0.00 C ATOM 71 O VAL A 5 -47.035 -0.917 48.898 1.00 0.00 O ATOM 72 CB VAL A 5 -44.294 -0.565 50.105 1.00 0.00 C ATOM 73 CG1 VAL A 5 -43.899 0.093 48.762 1.00 0.00 C ATOM 74 CG2 VAL A 5 -43.011 -0.461 50.978 1.00 0.00 C ATOM 0 HA VAL A 5 -45.472 1.039 50.909 1.00 0.00 H new ATOM 0 HB VAL A 5 -44.593 -1.604 49.963 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -42.974 -0.352 48.397 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -44.692 -0.067 48.031 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -43.753 1.163 48.910 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -42.161 -0.859 50.424 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -42.825 0.583 51.228 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -43.147 -1.035 51.895 1.00 0.00 H new ATOM 84 N ARG A 6 -47.829 0.714 50.232 1.00 0.00 N ATOM 85 CA ARG A 6 -49.231 0.798 49.731 1.00 0.00 C ATOM 86 C ARG A 6 -49.389 1.319 48.253 1.00 0.00 C ATOM 87 O ARG A 6 -48.609 2.148 47.774 1.00 0.00 O ATOM 88 CB ARG A 6 -49.902 1.707 50.815 1.00 0.00 C ATOM 89 CG ARG A 6 -51.398 2.104 50.649 1.00 0.00 C ATOM 90 CD ARG A 6 -51.665 3.628 50.558 1.00 0.00 C ATOM 91 NE ARG A 6 -51.410 4.144 49.181 1.00 0.00 N ATOM 92 CZ ARG A 6 -50.298 4.706 48.737 1.00 0.00 C ATOM 93 NH1 ARG A 6 -49.327 5.102 49.501 1.00 0.00 N ATOM 94 NH2 ARG A 6 -50.161 4.848 47.464 1.00 0.00 N ATOM 0 H ARG A 6 -47.638 1.419 50.943 1.00 0.00 H new ATOM 0 HA ARG A 6 -49.701 -0.180 49.628 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -49.801 1.202 51.776 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -49.322 2.628 50.876 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -51.787 1.628 49.749 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -51.961 1.701 51.491 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -52.697 3.836 50.841 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -51.028 4.154 51.269 1.00 0.00 H new ATOM 0 HE ARG A 6 -52.174 4.054 48.511 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -49.394 4.987 50.512 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -48.496 5.528 49.090 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -50.897 4.531 46.833 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -49.316 5.277 47.087 1.00 0.00 H new ATOM 125 N PRO A 8 -51.669 3.194 44.834 1.00 0.00 N ATOM 126 CA PRO A 8 -52.689 4.258 44.586 1.00 0.00 C ATOM 127 C PRO A 8 -53.957 3.789 43.757 1.00 0.00 C ATOM 128 O PRO A 8 -54.906 3.405 44.452 1.00 0.00 O ATOM 129 CB PRO A 8 -51.791 5.417 44.104 1.00 0.00 C ATOM 130 CG PRO A 8 -50.489 4.799 43.570 1.00 0.00 C ATOM 131 CD PRO A 8 -50.548 3.300 43.882 1.00 0.00 C ATOM 0 HA PRO A 8 -53.282 4.586 45.440 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -52.291 5.991 43.324 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -51.581 6.106 44.922 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -50.393 4.967 42.497 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -49.621 5.258 44.043 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -50.726 2.709 42.984 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -49.615 2.943 44.318 1.00 0.00 H new ATOM 139 N PRO A 9 -54.101 3.732 42.388 1.00 0.00 N ATOM 140 CA PRO A 9 -55.304 3.131 41.721 1.00 0.00 C ATOM 141 C PRO A 9 -55.277 1.561 41.717 1.00 0.00 C ATOM 142 O PRO A 9 -54.854 0.895 40.772 1.00 0.00 O ATOM 143 CB PRO A 9 -55.245 3.786 40.329 1.00 0.00 C ATOM 144 CG PRO A 9 -53.750 3.922 40.055 1.00 0.00 C ATOM 145 CD PRO A 9 -53.148 4.295 41.407 1.00 0.00 C ATOM 0 HA PRO A 9 -56.248 3.323 42.231 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -55.736 3.170 39.576 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -55.743 4.755 40.321 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -53.329 2.991 39.676 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -53.551 4.689 39.307 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -52.151 3.872 41.531 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -53.052 5.375 41.517 1.00 0.00 H new ATOM 153 N LYS A 10 -55.680 1.001 42.854 1.00 0.00 N ATOM 154 CA LYS A 10 -55.083 -0.254 43.380 1.00 0.00 C ATOM 155 C LYS A 10 -55.352 -1.625 42.664 1.00 0.00 C ATOM 156 O LYS A 10 -56.423 -1.907 42.120 1.00 0.00 O ATOM 157 CB LYS A 10 -55.416 -0.309 44.902 1.00 0.00 C ATOM 158 CG LYS A 10 -56.912 -0.396 45.310 1.00 0.00 C ATOM 159 CD LYS A 10 -57.116 -0.503 46.842 1.00 0.00 C ATOM 160 CE LYS A 10 -57.572 -1.882 47.357 1.00 0.00 C ATOM 161 NZ LYS A 10 -56.473 -2.891 47.228 1.00 0.00 N ATOM 0 H LYS A 10 -56.419 1.387 43.441 1.00 0.00 H new ATOM 0 HA LYS A 10 -54.020 -0.168 43.155 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -54.902 -1.171 45.327 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -54.991 0.579 45.371 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -57.436 0.485 44.940 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -57.365 -1.262 44.827 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -56.179 -0.242 47.335 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -57.853 0.240 47.145 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -57.877 -1.802 48.400 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -58.444 -2.215 46.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -56.804 -3.812 47.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -56.200 -2.981 46.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -55.651 -2.582 47.785 1.00 0.00 H new ATOM 213 N LYS B 1 -32.432 9.182 33.215 1.00 0.00 N ATOM 214 CA LYS B 1 -32.403 9.739 34.599 1.00 0.00 C ATOM 215 C LYS B 1 -33.784 9.630 35.344 1.00 0.00 C ATOM 216 O LYS B 1 -34.830 9.836 34.724 1.00 0.00 O ATOM 217 CB LYS B 1 -31.863 11.205 34.584 1.00 0.00 C ATOM 218 CG LYS B 1 -32.740 12.325 33.944 1.00 0.00 C ATOM 219 CD LYS B 1 -32.258 13.745 34.322 1.00 0.00 C ATOM 220 CE LYS B 1 -33.178 14.850 33.760 1.00 0.00 C ATOM 221 NZ LYS B 1 -32.766 16.188 34.262 1.00 0.00 N ATOM 0 H1 LYS B 1 -31.493 9.284 32.780 1.00 0.00 H new ATOM 0 H2 LYS B 1 -32.689 8.175 33.251 1.00 0.00 H new ATOM 0 H3 LYS B 1 -33.135 9.698 32.648 1.00 0.00 H new ATOM 0 HA LYS B 1 -31.715 9.121 35.177 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -31.662 11.493 35.616 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -30.906 11.198 34.063 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -32.726 12.217 32.859 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -33.774 12.199 34.264 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -32.211 13.833 35.407 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -31.246 13.894 33.947 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -33.143 14.839 32.671 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -34.210 14.651 34.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -33.398 16.915 33.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -32.822 16.202 35.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -31.788 16.384 33.966 1.00 0.00 H new ATOM 237 N LEU B 2 -33.768 9.384 36.662 1.00 0.00 N ATOM 238 CA LEU B 2 -34.922 9.679 37.569 1.00 0.00 C ATOM 239 C LEU B 2 -34.570 10.794 38.643 1.00 0.00 C ATOM 240 O LEU B 2 -33.411 11.231 38.684 1.00 0.00 O ATOM 241 CB LEU B 2 -35.414 8.328 38.169 1.00 0.00 C ATOM 242 CG LEU B 2 -34.515 7.686 39.263 1.00 0.00 C ATOM 243 CD1 LEU B 2 -35.045 8.035 40.656 1.00 0.00 C ATOM 244 CD2 LEU B 2 -34.443 6.158 39.123 1.00 0.00 C ATOM 0 H LEU B 2 -32.965 8.977 37.142 1.00 0.00 H new ATOM 0 HA LEU B 2 -35.748 10.121 37.012 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -36.407 8.484 38.591 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -35.523 7.612 37.354 1.00 0.00 H new ATOM 0 HG LEU B 2 -33.511 8.091 39.131 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -34.407 7.579 41.413 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -35.045 9.117 40.785 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -36.062 7.657 40.764 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -33.805 5.750 39.907 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -35.444 5.737 39.214 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -34.029 5.901 38.148 1.00 0.00 H new ATOM 256 N PRO B 3 -35.496 11.290 39.521 1.00 0.00 N ATOM 257 CA PRO B 3 -35.174 12.372 40.495 1.00 0.00 C ATOM 258 C PRO B 3 -34.413 12.084 41.861 1.00 0.00 C ATOM 259 O PRO B 3 -34.438 10.960 42.388 1.00 0.00 O ATOM 260 CB PRO B 3 -36.547 13.049 40.673 1.00 0.00 C ATOM 261 CG PRO B 3 -37.470 12.509 39.590 1.00 0.00 C ATOM 262 CD PRO B 3 -36.953 11.095 39.371 1.00 0.00 C ATOM 0 HA PRO B 3 -34.365 12.974 40.081 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -36.953 12.838 41.662 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -36.453 14.132 40.591 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -38.512 12.512 39.910 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -37.414 13.104 38.679 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -37.351 10.394 40.105 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -37.216 10.709 38.386 1.00 0.00 H new ATOM 270 N PRO B 4 -33.756 13.100 42.506 1.00 0.00 N ATOM 271 CA PRO B 4 -33.015 12.911 43.779 1.00 0.00 C ATOM 272 C PRO B 4 -33.959 12.852 45.025 1.00 0.00 C ATOM 273 O PRO B 4 -34.855 13.682 45.203 1.00 0.00 O ATOM 274 CB PRO B 4 -32.066 14.125 43.755 1.00 0.00 C ATOM 275 CG PRO B 4 -32.845 15.232 43.040 1.00 0.00 C ATOM 276 CD PRO B 4 -33.724 14.496 42.028 1.00 0.00 C ATOM 0 HA PRO B 4 -32.488 11.961 43.862 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -31.789 14.428 44.765 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -31.141 13.891 43.228 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -33.447 15.809 43.742 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -32.173 15.933 42.545 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -34.726 14.924 41.988 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -33.309 14.561 41.022 1.00 0.00 H new ATOM 284 N GLY B 5 -33.774 11.824 45.857 1.00 0.00 N ATOM 285 CA GLY B 5 -34.809 11.418 46.851 1.00 0.00 C ATOM 286 C GLY B 5 -35.835 10.336 46.431 1.00 0.00 C ATOM 287 O GLY B 5 -36.910 10.287 47.033 1.00 0.00 O ATOM 0 H GLY B 5 -32.929 11.253 45.874 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -34.294 11.061 47.743 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -35.364 12.311 47.139 1.00 0.00 H new ATOM 291 N TRP B 6 -35.511 9.441 45.485 1.00 0.00 N ATOM 292 CA TRP B 6 -36.351 8.280 45.138 1.00 0.00 C ATOM 293 C TRP B 6 -35.722 6.901 45.476 1.00 0.00 C ATOM 294 O TRP B 6 -34.501 6.759 45.591 1.00 0.00 O ATOM 295 CB TRP B 6 -36.454 8.444 43.601 1.00 0.00 C ATOM 296 CG TRP B 6 -37.652 9.257 43.167 1.00 0.00 C ATOM 297 CD1 TRP B 6 -37.654 10.641 42.948 1.00 0.00 C ATOM 298 CD2 TRP B 6 -38.951 8.842 43.043 1.00 0.00 C ATOM 299 NE1 TRP B 6 -38.947 11.128 42.711 1.00 0.00 N ATOM 300 CE2 TRP B 6 -39.732 9.997 42.787 1.00 0.00 C ATOM 301 CE3 TRP B 6 -39.549 7.549 43.090 1.00 0.00 C ATOM 302 CZ2 TRP B 6 -41.106 9.876 42.536 1.00 0.00 C ATOM 303 CZ3 TRP B 6 -40.932 7.490 42.934 1.00 0.00 C ATOM 304 CH2 TRP B 6 -41.699 8.621 42.643 1.00 0.00 C ATOM 0 H TRP B 6 -34.654 9.501 44.935 1.00 0.00 H new ATOM 0 HA TRP B 6 -37.288 8.275 45.694 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -35.546 8.921 43.232 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -36.506 7.458 43.140 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -36.767 11.257 42.960 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -39.237 12.088 42.527 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -38.958 6.657 43.239 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -41.694 10.741 42.265 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -41.429 6.537 43.042 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -42.765 8.520 42.499 1.00 0.00 H new ATOM 315 N GLU B 7 -36.563 5.848 45.483 1.00 0.00 N ATOM 316 CA GLU B 7 -36.123 4.505 45.085 1.00 0.00 C ATOM 317 C GLU B 7 -37.253 3.705 44.346 1.00 0.00 C ATOM 318 O GLU B 7 -38.111 4.260 43.651 1.00 0.00 O ATOM 319 CB GLU B 7 -35.451 3.850 46.348 1.00 0.00 C ATOM 320 CG GLU B 7 -34.364 2.769 46.097 1.00 0.00 C ATOM 321 CD GLU B 7 -34.704 1.374 46.566 1.00 0.00 C ATOM 322 OE1 GLU B 7 -34.801 1.143 47.787 1.00 0.00 O ATOM 323 OE2 GLU B 7 -34.894 0.494 45.708 1.00 0.00 O ATOM 0 H GLU B 7 -37.543 5.905 45.759 1.00 0.00 H new ATOM 0 HA GLU B 7 -35.359 4.520 44.308 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.004 4.646 46.943 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -36.238 3.402 46.955 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -34.155 2.732 45.028 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.444 3.084 46.590 1.00 0.00 H new ATOM 330 N LYS B 8 -37.178 2.375 44.406 1.00 0.00 N ATOM 331 CA LYS B 8 -37.876 1.452 43.467 1.00 0.00 C ATOM 332 C LYS B 8 -38.337 0.147 44.192 1.00 0.00 C ATOM 333 O LYS B 8 -37.521 -0.564 44.789 1.00 0.00 O ATOM 334 CB LYS B 8 -37.033 1.262 42.165 1.00 0.00 C ATOM 335 CG LYS B 8 -35.624 0.631 42.267 1.00 0.00 C ATOM 336 CD LYS B 8 -35.633 -0.913 42.160 1.00 0.00 C ATOM 337 CE LYS B 8 -34.307 -1.567 42.611 1.00 0.00 C ATOM 338 NZ LYS B 8 -34.302 -1.559 44.114 1.00 0.00 N ATOM 0 H LYS B 8 -36.627 1.887 45.112 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.811 1.895 43.125 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -37.619 0.649 41.481 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -36.922 2.241 41.700 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -34.993 1.039 41.477 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.173 0.919 43.216 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.449 -1.307 42.766 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -35.837 -1.197 41.128 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.230 -2.586 42.231 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.452 -1.015 42.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.388 -1.914 44.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -34.448 -0.588 44.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -35.067 -2.169 44.467 1.00 0.00 H new ATOM 352 N ARG B 9 -39.654 -0.153 44.225 1.00 0.00 N ATOM 353 CA ARG B 9 -40.213 -1.129 45.221 1.00 0.00 C ATOM 354 C ARG B 9 -41.280 -2.035 44.584 1.00 0.00 C ATOM 355 O ARG B 9 -42.299 -1.552 44.101 1.00 0.00 O ATOM 356 CB ARG B 9 -40.781 -0.449 46.490 1.00 0.00 C ATOM 357 CG ARG B 9 -39.713 0.337 47.263 1.00 0.00 C ATOM 358 CD ARG B 9 -39.947 0.453 48.786 1.00 0.00 C ATOM 359 NE ARG B 9 -38.982 1.387 49.450 1.00 0.00 N ATOM 360 CZ ARG B 9 -37.648 1.291 49.343 1.00 0.00 C ATOM 361 NH1 ARG B 9 -37.023 0.194 49.028 1.00 0.00 N ATOM 362 NH2 ARG B 9 -36.912 2.334 49.510 1.00 0.00 N ATOM 0 H ARG B 9 -40.347 0.250 43.594 1.00 0.00 H new ATOM 0 HA ARG B 9 -39.369 -1.742 45.536 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -41.589 0.225 46.206 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -41.213 -1.208 47.143 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -38.746 -0.137 47.096 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -39.652 1.342 46.845 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -40.965 0.799 48.968 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -39.860 -0.535 49.239 1.00 0.00 H new ATOM 0 HE ARG B 9 -39.363 2.143 50.019 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -37.551 -0.659 48.846 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -36.005 0.188 48.963 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -37.343 3.233 49.724 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -35.898 2.261 49.429 1.00 0.00 H new ATOM 376 N MET B 10 -40.986 -3.332 44.521 1.00 0.00 N ATOM 377 CA MET B 10 -41.336 -4.131 43.311 1.00 0.00 C ATOM 378 C MET B 10 -42.396 -5.260 43.463 1.00 0.00 C ATOM 379 O MET B 10 -42.362 -6.064 44.398 1.00 0.00 O ATOM 380 CB MET B 10 -40.043 -4.683 42.652 1.00 0.00 C ATOM 381 CG MET B 10 -39.138 -3.592 42.051 1.00 0.00 C ATOM 382 SD MET B 10 -38.041 -4.292 40.807 1.00 0.00 S ATOM 383 CE MET B 10 -39.026 -3.883 39.355 1.00 0.00 C ATOM 0 H MET B 10 -40.520 -3.856 45.262 1.00 0.00 H new ATOM 0 HA MET B 10 -41.846 -3.411 42.671 1.00 0.00 H new ATOM 0 HB2 MET B 10 -39.477 -5.242 43.397 1.00 0.00 H new ATOM 0 HB3 MET B 10 -40.318 -5.387 41.867 1.00 0.00 H new ATOM 0 HG2 MET B 10 -39.751 -2.809 41.604 1.00 0.00 H new ATOM 0 HG3 MET B 10 -38.550 -3.124 42.841 1.00 0.00 H new ATOM 0 HE1 MET B 10 -38.571 -4.327 38.470 1.00 0.00 H new ATOM 0 HE2 MET B 10 -40.036 -4.273 39.479 1.00 0.00 H new ATOM 0 HE3 MET B 10 -39.068 -2.800 39.237 1.00 0.00 H new ATOM 393 N SER B 11 -43.247 -5.412 42.425 1.00 0.00 N ATOM 394 CA SER B 11 -43.880 -6.725 42.080 1.00 0.00 C ATOM 395 C SER B 11 -44.997 -7.270 43.044 1.00 0.00 C ATOM 396 O SER B 11 -44.813 -8.219 43.807 1.00 0.00 O ATOM 397 CB SER B 11 -42.815 -7.764 41.646 1.00 0.00 C ATOM 398 OG SER B 11 -42.043 -8.248 42.746 1.00 0.00 O ATOM 0 H SER B 11 -43.518 -4.648 41.806 1.00 0.00 H new ATOM 0 HA SER B 11 -44.498 -6.508 41.209 1.00 0.00 H new ATOM 0 HB2 SER B 11 -43.309 -8.603 41.156 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.150 -7.312 40.910 1.00 0.00 H new ATOM 0 HG SER B 11 -42.104 -7.615 43.492 1.00 0.00 H new ATOM 404 N ARG B 12 -46.195 -6.678 42.947 1.00 0.00 N ATOM 405 CA ARG B 12 -47.463 -7.240 43.517 1.00 0.00 C ATOM 406 C ARG B 12 -48.423 -7.924 42.468 1.00 0.00 C ATOM 407 O ARG B 12 -49.367 -8.617 42.853 1.00 0.00 O ATOM 408 CB ARG B 12 -48.175 -6.095 44.298 1.00 0.00 C ATOM 409 CG ARG B 12 -47.450 -5.638 45.595 1.00 0.00 C ATOM 410 CD ARG B 12 -48.022 -4.365 46.247 1.00 0.00 C ATOM 411 NE ARG B 12 -49.271 -4.676 46.987 1.00 0.00 N ATOM 412 CZ ARG B 12 -49.705 -4.068 48.080 1.00 0.00 C ATOM 413 NH1 ARG B 12 -49.113 -3.082 48.671 1.00 0.00 N ATOM 414 NH2 ARG B 12 -50.853 -4.399 48.544 1.00 0.00 N ATOM 0 H ARG B 12 -46.330 -5.787 42.470 1.00 0.00 H new ATOM 0 HA ARG B 12 -47.195 -8.063 44.179 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -48.281 -5.235 43.636 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -49.181 -6.423 44.558 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -47.491 -6.450 46.321 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -46.398 -5.469 45.365 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -47.286 -3.936 46.927 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -48.223 -3.616 45.481 1.00 0.00 H new ATOM 0 HE ARG B 12 -49.850 -5.430 46.618 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -48.239 -2.714 48.296 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -49.520 -2.673 49.512 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -51.407 -5.114 48.073 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -51.213 -3.947 49.385 1.00 0.00 H new ATOM 428 N SER B 13 -48.219 -7.738 41.150 1.00 0.00 N ATOM 429 CA SER B 13 -48.822 -8.592 40.080 1.00 0.00 C ATOM 430 C SER B 13 -47.795 -8.756 38.889 1.00 0.00 C ATOM 431 O SER B 13 -46.582 -8.603 39.079 1.00 0.00 O ATOM 432 CB SER B 13 -50.218 -8.003 39.722 1.00 0.00 C ATOM 433 OG SER B 13 -51.131 -8.126 40.815 1.00 0.00 O ATOM 0 H SER B 13 -47.630 -6.990 40.784 1.00 0.00 H new ATOM 0 HA SER B 13 -49.011 -9.615 40.404 1.00 0.00 H new ATOM 0 HB2 SER B 13 -50.113 -6.953 39.450 1.00 0.00 H new ATOM 0 HB3 SER B 13 -50.620 -8.519 38.850 1.00 0.00 H new ATOM 0 HG SER B 13 -50.649 -8.435 41.611 1.00 0.00 H new ATOM 439 N SER B 14 -48.236 -9.066 37.653 1.00 0.00 N ATOM 440 CA SER B 14 -47.321 -9.359 36.504 1.00 0.00 C ATOM 441 C SER B 14 -46.547 -8.112 35.931 1.00 0.00 C ATOM 442 O SER B 14 -47.027 -7.405 35.033 1.00 0.00 O ATOM 443 CB SER B 14 -48.159 -10.098 35.431 1.00 0.00 C ATOM 444 OG SER B 14 -49.104 -9.228 34.801 1.00 0.00 O ATOM 0 H SER B 14 -49.226 -9.123 37.413 1.00 0.00 H new ATOM 0 HA SER B 14 -46.506 -9.988 36.861 1.00 0.00 H new ATOM 0 HB2 SER B 14 -47.494 -10.519 34.677 1.00 0.00 H new ATOM 0 HB3 SER B 14 -48.686 -10.933 35.893 1.00 0.00 H new ATOM 0 HG SER B 14 -48.740 -8.318 34.769 1.00 0.00 H new ATOM 450 N GLY B 15 -45.366 -7.828 36.506 1.00 0.00 N ATOM 451 CA GLY B 15 -44.612 -6.564 36.245 1.00 0.00 C ATOM 452 C GLY B 15 -45.217 -5.273 36.847 1.00 0.00 C ATOM 453 O GLY B 15 -45.356 -4.278 36.136 1.00 0.00 O ATOM 0 H GLY B 15 -44.900 -8.455 37.162 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -43.600 -6.682 36.633 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -44.526 -6.432 35.166 1.00 0.00 H new ATOM 457 N ARG B 16 -45.633 -5.308 38.123 1.00 0.00 N ATOM 458 CA ARG B 16 -46.541 -4.287 38.715 1.00 0.00 C ATOM 459 C ARG B 16 -46.013 -3.833 40.109 1.00 0.00 C ATOM 460 O ARG B 16 -45.866 -4.635 41.025 1.00 0.00 O ATOM 461 CB ARG B 16 -47.995 -4.854 38.797 1.00 0.00 C ATOM 462 CG ARG B 16 -49.019 -4.307 37.769 1.00 0.00 C ATOM 463 CD ARG B 16 -48.724 -4.780 36.339 1.00 0.00 C ATOM 464 NE ARG B 16 -49.806 -4.395 35.394 1.00 0.00 N ATOM 465 CZ ARG B 16 -49.814 -4.689 34.097 1.00 0.00 C ATOM 466 NH1 ARG B 16 -48.881 -5.389 33.508 1.00 0.00 N ATOM 467 NH2 ARG B 16 -50.801 -4.260 33.378 1.00 0.00 N ATOM 0 H ARG B 16 -45.356 -6.038 38.779 1.00 0.00 H new ATOM 0 HA ARG B 16 -46.562 -3.405 38.075 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -47.944 -5.937 38.682 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -48.380 -4.657 39.798 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -50.022 -4.626 38.054 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -49.011 -3.217 37.797 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -47.779 -4.353 36.003 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -48.604 -5.863 36.332 1.00 0.00 H new ATOM 0 HE ARG B 16 -50.597 -3.869 35.766 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -48.091 -5.742 34.048 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -48.943 -5.582 32.508 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -51.546 -3.712 33.809 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -50.834 -4.470 32.380 1.00 0.00 H new ATOM 481 N VAL B 17 -45.779 -2.535 40.266 1.00 0.00 N ATOM 482 CA VAL B 17 -45.044 -1.937 41.420 1.00 0.00 C ATOM 483 C VAL B 17 -43.497 -1.925 41.214 1.00 0.00 C ATOM 484 O VAL B 17 -42.913 -2.884 40.701 1.00 0.00 O ATOM 485 CB VAL B 17 -45.706 -1.997 42.852 1.00 0.00 C ATOM 486 CG1 VAL B 17 -45.268 -3.136 43.783 1.00 0.00 C ATOM 487 CG2 VAL B 17 -45.563 -0.696 43.679 1.00 0.00 C ATOM 0 H VAL B 17 -46.094 -1.838 39.591 1.00 0.00 H new ATOM 0 HA VAL B 17 -45.242 -0.865 41.415 1.00 0.00 H new ATOM 0 HB VAL B 17 -46.738 -2.173 42.549 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -45.800 -3.056 44.731 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -45.497 -4.095 43.318 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -44.195 -3.067 43.963 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -46.046 -0.826 44.648 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -44.506 -0.473 43.827 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -46.036 0.128 43.145 1.00 0.00 H new ATOM 497 N TYR B 18 -42.889 -0.743 41.436 1.00 0.00 N ATOM 498 CA TYR B 18 -41.541 -0.355 40.992 1.00 0.00 C ATOM 499 C TYR B 18 -41.055 1.071 41.456 1.00 0.00 C ATOM 500 O TYR B 18 -39.929 1.419 41.117 1.00 0.00 O ATOM 501 CB TYR B 18 -41.312 -0.621 39.469 1.00 0.00 C ATOM 502 CG TYR B 18 -42.441 -0.202 38.504 1.00 0.00 C ATOM 503 CD1 TYR B 18 -42.823 1.136 38.463 1.00 0.00 C ATOM 504 CD2 TYR B 18 -43.278 -1.173 37.943 1.00 0.00 C ATOM 505 CE1 TYR B 18 -44.063 1.499 37.953 1.00 0.00 C ATOM 506 CE2 TYR B 18 -44.523 -0.811 37.435 1.00 0.00 C ATOM 507 CZ TYR B 18 -44.921 0.524 37.448 1.00 0.00 C ATOM 508 OH TYR B 18 -46.192 0.857 37.059 1.00 0.00 O ATOM 0 H TYR B 18 -43.351 0.003 41.957 1.00 0.00 H new ATOM 0 HA TYR B 18 -40.879 -1.030 41.535 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -40.401 -0.103 39.169 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -41.131 -1.688 39.335 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.151 1.897 38.830 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -42.958 -2.204 37.904 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -44.362 2.537 37.948 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -45.181 -1.566 37.030 1.00 0.00 H new ATOM 0 HH TYR B 18 -46.487 1.651 37.551 1.00 0.00 H new ATOM 518 N TYR B 19 -41.756 1.853 42.299 1.00 0.00 N ATOM 519 CA TYR B 19 -41.367 3.261 42.650 1.00 0.00 C ATOM 520 C TYR B 19 -41.746 3.633 44.127 1.00 0.00 C ATOM 521 O TYR B 19 -42.777 3.247 44.688 1.00 0.00 O ATOM 522 CB TYR B 19 -41.949 4.260 41.601 1.00 0.00 C ATOM 523 CG TYR B 19 -41.123 4.567 40.334 1.00 0.00 C ATOM 524 CD1 TYR B 19 -39.789 4.992 40.395 1.00 0.00 C ATOM 525 CD2 TYR B 19 -41.734 4.442 39.085 1.00 0.00 C ATOM 526 CE1 TYR B 19 -39.067 5.223 39.226 1.00 0.00 C ATOM 527 CE2 TYR B 19 -41.014 4.666 37.916 1.00 0.00 C ATOM 528 CZ TYR B 19 -39.679 5.050 37.988 1.00 0.00 C ATOM 529 OH TYR B 19 -38.958 5.239 36.842 1.00 0.00 O ATOM 0 H TYR B 19 -42.609 1.541 42.763 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.280 3.336 42.606 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -42.917 3.876 41.280 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.135 5.205 42.112 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -39.317 5.142 41.355 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -42.777 4.168 39.026 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -38.035 5.536 39.280 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -41.490 4.542 36.955 1.00 0.00 H new ATOM 0 HH TYR B 19 -39.532 5.078 36.064 1.00 0.00 H new ATOM 539 N PHE B 20 -40.863 4.407 44.761 1.00 0.00 N ATOM 540 CA PHE B 20 -41.068 4.973 46.125 1.00 0.00 C ATOM 541 C PHE B 20 -40.372 6.369 46.251 1.00 0.00 C ATOM 542 O PHE B 20 -39.169 6.476 46.023 1.00 0.00 O ATOM 543 CB PHE B 20 -40.518 3.943 47.158 1.00 0.00 C ATOM 544 CG PHE B 20 -40.644 4.371 48.629 1.00 0.00 C ATOM 545 CD1 PHE B 20 -41.844 4.199 49.292 1.00 0.00 C ATOM 546 CD2 PHE B 20 -39.619 5.070 49.248 1.00 0.00 C ATOM 547 CE1 PHE B 20 -42.054 4.782 50.532 1.00 0.00 C ATOM 548 CE2 PHE B 20 -39.808 5.635 50.505 1.00 0.00 C ATOM 549 CZ PHE B 20 -41.036 5.510 51.201 1.00 0.00 C ATOM 0 H PHE B 20 -39.968 4.671 44.348 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.127 5.141 46.320 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.045 2.998 47.023 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -39.467 3.756 46.938 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -42.625 3.605 48.840 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -38.666 5.177 48.750 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -43.021 4.679 51.003 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -38.998 6.183 50.962 1.00 0.00 H new ATOM 0 HZ PHE B 20 -41.188 5.942 52.179 1.00 0.00 H new ATOM 559 N ASN B 21 -41.068 7.423 46.693 1.00 0.00 N ATOM 560 CA ASN B 21 -40.430 8.738 46.988 1.00 0.00 C ATOM 561 C ASN B 21 -40.054 8.860 48.514 1.00 0.00 C ATOM 562 O ASN B 21 -40.919 8.759 49.389 1.00 0.00 O ATOM 563 CB ASN B 21 -41.393 9.852 46.483 1.00 0.00 C ATOM 564 CG ASN B 21 -40.837 11.219 46.063 1.00 0.00 C ATOM 565 OD1 ASN B 21 -41.470 11.969 45.330 1.00 0.00 O ATOM 566 ND2 ASN B 21 -39.699 11.643 46.539 1.00 0.00 N ATOM 0 H ASN B 21 -42.074 7.404 46.858 1.00 0.00 H new ATOM 0 HA ASN B 21 -39.480 8.843 46.464 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -41.936 9.447 45.629 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -42.125 10.029 47.271 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -39.361 12.575 46.298 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -39.147 11.043 47.152 1.00 0.00 H new ATOM 573 N HIS B 22 -38.768 9.099 48.831 1.00 0.00 N ATOM 574 CA HIS B 22 -38.283 9.269 50.242 1.00 0.00 C ATOM 575 C HIS B 22 -38.613 10.656 50.893 1.00 0.00 C ATOM 576 O HIS B 22 -39.168 10.715 51.992 1.00 0.00 O ATOM 577 CB HIS B 22 -36.749 8.987 50.278 1.00 0.00 C ATOM 578 CG HIS B 22 -36.358 7.519 50.338 1.00 0.00 C ATOM 579 ND1 HIS B 22 -35.963 6.896 51.502 1.00 0.00 N ATOM 580 CD2 HIS B 22 -36.323 6.613 49.269 1.00 0.00 C ATOM 581 CE1 HIS B 22 -35.688 5.649 51.017 1.00 0.00 C ATOM 582 NE2 HIS B 22 -35.921 5.359 49.702 1.00 0.00 N ATOM 0 H HIS B 22 -38.029 9.182 48.133 1.00 0.00 H new ATOM 0 HA HIS B 22 -38.830 8.550 50.852 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -36.294 9.431 49.393 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -36.323 9.495 51.144 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -35.895 7.261 52.452 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -36.575 6.858 48.248 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -35.286 4.891 51.673 1.00 0.00 H new ATOM 590 N ILE B 23 -38.237 11.749 50.215 1.00 0.00 N ATOM 591 CA ILE B 23 -38.470 13.163 50.662 1.00 0.00 C ATOM 592 C ILE B 23 -39.975 13.606 50.738 1.00 0.00 C ATOM 593 O ILE B 23 -40.401 14.171 51.747 1.00 0.00 O ATOM 594 CB ILE B 23 -37.560 14.142 49.822 1.00 0.00 C ATOM 595 CG1 ILE B 23 -37.764 14.045 48.275 1.00 0.00 C ATOM 596 CG2 ILE B 23 -36.066 13.997 50.218 1.00 0.00 C ATOM 597 CD1 ILE B 23 -36.965 15.015 47.397 1.00 0.00 C ATOM 0 H ILE B 23 -37.751 11.693 49.320 1.00 0.00 H new ATOM 0 HA ILE B 23 -38.167 13.216 51.708 1.00 0.00 H new ATOM 0 HB ILE B 23 -37.891 15.147 50.084 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -37.518 13.029 47.966 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -38.823 14.194 48.065 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -35.464 14.683 49.623 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -35.945 14.232 51.276 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -35.738 12.974 50.034 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -37.203 14.837 46.348 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -37.224 16.041 47.659 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -35.899 14.858 47.558 1.00 0.00 H new ATOM 609 N THR B 24 -40.783 13.300 49.711 1.00 0.00 N ATOM 610 CA THR B 24 -42.278 13.352 49.782 1.00 0.00 C ATOM 611 C THR B 24 -42.929 12.382 50.837 1.00 0.00 C ATOM 612 O THR B 24 -43.866 12.780 51.529 1.00 0.00 O ATOM 613 CB THR B 24 -42.810 13.048 48.345 1.00 0.00 C ATOM 614 OG1 THR B 24 -42.304 13.969 47.382 1.00 0.00 O ATOM 615 CG2 THR B 24 -44.332 13.055 48.180 1.00 0.00 C ATOM 0 H THR B 24 -40.431 13.007 48.799 1.00 0.00 H new ATOM 0 HA THR B 24 -42.564 14.344 50.131 1.00 0.00 H new ATOM 0 HB THR B 24 -42.451 12.032 48.181 1.00 0.00 H new ATOM 0 HG1 THR B 24 -42.043 13.484 46.571 1.00 0.00 H new ATOM 0 HG21 THR B 24 -44.587 12.832 47.144 1.00 0.00 H new ATOM 0 HG22 THR B 24 -44.772 12.301 48.832 1.00 0.00 H new ATOM 0 HG23 THR B 24 -44.722 14.037 48.446 1.00 0.00 H new ATOM 623 N ASN B 25 -42.474 11.109 50.892 1.00 0.00 N ATOM 624 CA ASN B 25 -43.091 9.995 51.675 1.00 0.00 C ATOM 625 C ASN B 25 -44.288 9.323 50.912 1.00 0.00 C ATOM 626 O ASN B 25 -45.437 9.386 51.358 1.00 0.00 O ATOM 627 CB ASN B 25 -43.343 10.378 53.167 1.00 0.00 C ATOM 628 CG ASN B 25 -43.640 9.219 54.106 1.00 0.00 C ATOM 629 OD1 ASN B 25 -42.752 8.485 54.521 1.00 0.00 O ATOM 630 ND2 ASN B 25 -44.873 9.019 54.486 1.00 0.00 N ATOM 0 H ASN B 25 -41.643 10.812 50.380 1.00 0.00 H new ATOM 0 HA ASN B 25 -42.360 9.190 51.752 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -42.466 10.908 53.540 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -44.178 11.077 53.207 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -45.092 8.255 55.125 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -45.617 9.627 54.144 1.00 0.00 H new ATOM 637 N ALA B 26 -44.008 8.663 49.771 1.00 0.00 N ATOM 638 CA ALA B 26 -45.063 8.113 48.878 1.00 0.00 C ATOM 639 C ALA B 26 -44.641 6.755 48.232 1.00 0.00 C ATOM 640 O ALA B 26 -43.766 6.696 47.367 1.00 0.00 O ATOM 641 CB ALA B 26 -45.380 9.182 47.811 1.00 0.00 C ATOM 0 H ALA B 26 -43.058 8.494 49.440 1.00 0.00 H new ATOM 0 HA ALA B 26 -45.957 7.890 49.461 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -46.152 8.808 47.139 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -45.733 10.090 48.300 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -44.479 9.404 47.240 1.00 0.00 H new ATOM 647 N SER B 27 -45.310 5.660 48.611 1.00 0.00 N ATOM 648 CA SER B 27 -45.278 4.387 47.836 1.00 0.00 C ATOM 649 C SER B 27 -46.243 4.376 46.618 1.00 0.00 C ATOM 650 O SER B 27 -47.398 4.816 46.724 1.00 0.00 O ATOM 651 CB SER B 27 -45.603 3.236 48.802 1.00 0.00 C ATOM 652 OG SER B 27 -46.875 3.389 49.436 1.00 0.00 O ATOM 0 H SER B 27 -45.886 5.617 49.452 1.00 0.00 H new ATOM 0 HA SER B 27 -44.281 4.272 47.410 1.00 0.00 H new ATOM 0 HB2 SER B 27 -45.585 2.293 48.256 1.00 0.00 H new ATOM 0 HB3 SER B 27 -44.826 3.177 49.565 1.00 0.00 H new ATOM 0 HG SER B 27 -47.545 2.856 48.958 1.00 0.00 H new ATOM 658 N GLN B 28 -45.763 3.902 45.453 1.00 0.00 N ATOM 659 CA GLN B 28 -46.526 4.019 44.181 1.00 0.00 C ATOM 660 C GLN B 28 -46.043 3.040 43.061 1.00 0.00 C ATOM 661 O GLN B 28 -44.896 2.592 43.001 1.00 0.00 O ATOM 662 CB GLN B 28 -46.590 5.510 43.719 1.00 0.00 C ATOM 663 CG GLN B 28 -45.264 6.139 43.218 1.00 0.00 C ATOM 664 CD GLN B 28 -45.063 7.596 43.629 1.00 0.00 C ATOM 665 OE1 GLN B 28 -44.403 7.924 44.607 1.00 0.00 O ATOM 666 NE2 GLN B 28 -45.639 8.522 42.908 1.00 0.00 N ATOM 0 H GLN B 28 -44.860 3.438 45.359 1.00 0.00 H new ATOM 0 HA GLN B 28 -47.546 3.693 44.386 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -47.327 5.588 42.920 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -46.958 6.109 44.552 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -44.430 5.549 43.597 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -45.233 6.073 42.130 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -46.191 8.262 42.091 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -45.536 9.504 43.163 1.00 0.00 H new ATOM 675 N TRP B 29 -46.949 2.784 42.113 1.00 0.00 N ATOM 676 CA TRP B 29 -46.569 2.250 40.768 1.00 0.00 C ATOM 677 C TRP B 29 -46.539 3.348 39.642 1.00 0.00 C ATOM 678 O TRP B 29 -46.910 3.086 38.495 1.00 0.00 O ATOM 679 CB TRP B 29 -47.363 0.937 40.486 1.00 0.00 C ATOM 680 CG TRP B 29 -48.896 0.848 40.425 1.00 0.00 C ATOM 681 CD1 TRP B 29 -49.842 1.890 40.396 1.00 0.00 C ATOM 682 CD2 TRP B 29 -49.646 -0.324 40.474 1.00 0.00 C ATOM 683 NE1 TRP B 29 -51.160 1.392 40.461 1.00 0.00 N ATOM 684 CE2 TRP B 29 -51.012 0.028 40.441 1.00 0.00 C ATOM 685 CE3 TRP B 29 -49.270 -1.683 40.662 1.00 0.00 C ATOM 686 CZ2 TRP B 29 -52.010 -0.967 40.543 1.00 0.00 C ATOM 687 CZ3 TRP B 29 -50.272 -2.648 40.780 1.00 0.00 C ATOM 688 CH2 TRP B 29 -51.621 -2.297 40.691 1.00 0.00 C ATOM 0 H TRP B 29 -47.951 2.932 42.235 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.521 1.950 40.765 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.000 0.563 39.529 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -47.048 0.223 41.247 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -49.590 2.938 40.332 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -52.028 1.926 40.512 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -48.228 -1.963 40.713 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -53.056 -0.701 40.507 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -50.000 -3.681 40.942 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -52.375 -3.069 40.738 1.00 0.00 H new ATOM 699 N GLU B 30 -45.981 4.538 39.961 1.00 0.00 N ATOM 700 CA GLU B 30 -46.057 5.751 39.098 1.00 0.00 C ATOM 701 C GLU B 30 -44.661 6.426 38.927 1.00 0.00 C ATOM 702 O GLU B 30 -43.885 6.596 39.875 1.00 0.00 O ATOM 703 CB GLU B 30 -47.035 6.842 39.643 1.00 0.00 C ATOM 704 CG GLU B 30 -48.416 6.444 40.217 1.00 0.00 C ATOM 705 CD GLU B 30 -49.482 5.860 39.314 1.00 0.00 C ATOM 706 OE1 GLU B 30 -49.418 6.010 38.080 1.00 0.00 O ATOM 707 OE2 GLU B 30 -50.425 5.270 39.880 1.00 0.00 O ATOM 0 H GLU B 30 -45.462 4.690 40.826 1.00 0.00 H new ATOM 0 HA GLU B 30 -46.431 5.381 38.143 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -46.506 7.386 40.426 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.215 7.547 38.831 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -48.238 5.722 41.014 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -48.840 7.334 40.682 1.00 0.00 H new ATOM 714 N ARG B 31 -44.379 6.882 37.702 1.00 0.00 N ATOM 715 CA ARG B 31 -43.141 7.633 37.388 1.00 0.00 C ATOM 716 C ARG B 31 -43.300 9.192 37.563 1.00 0.00 C ATOM 717 O ARG B 31 -44.202 9.757 36.937 1.00 0.00 O ATOM 718 CB ARG B 31 -42.755 7.238 35.934 1.00 0.00 C ATOM 719 CG ARG B 31 -41.304 7.607 35.546 1.00 0.00 C ATOM 720 CD ARG B 31 -40.904 7.160 34.128 1.00 0.00 C ATOM 721 NE ARG B 31 -41.261 8.204 33.122 1.00 0.00 N ATOM 722 CZ ARG B 31 -40.714 8.343 31.918 1.00 0.00 C ATOM 723 NH1 ARG B 31 -39.872 7.491 31.407 1.00 0.00 N ATOM 724 NH2 ARG B 31 -41.031 9.380 31.208 1.00 0.00 N ATOM 0 H ARG B 31 -44.993 6.746 36.899 1.00 0.00 H new ATOM 0 HA ARG B 31 -42.350 7.371 38.091 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -42.891 6.163 35.812 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -43.441 7.726 35.242 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -41.181 8.687 35.624 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -40.620 7.156 36.265 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -39.832 6.966 34.092 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -41.406 6.224 33.882 1.00 0.00 H new ATOM 0 HE ARG B 31 -41.989 8.870 33.381 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -39.599 6.663 31.937 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -39.485 7.652 30.477 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -41.688 10.069 31.576 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -40.624 9.508 30.282 1.00 0.00 H new ATOM 738 N PRO B 32 -42.411 9.951 38.277 1.00 0.00 N ATOM 739 CA PRO B 32 -42.471 11.453 38.314 1.00 0.00 C ATOM 740 C PRO B 32 -42.345 12.196 36.932 1.00 0.00 C ATOM 741 O PRO B 32 -43.027 13.189 36.681 1.00 0.00 O ATOM 742 CB PRO B 32 -41.322 11.819 39.284 1.00 0.00 C ATOM 743 CG PRO B 32 -40.413 10.594 39.295 1.00 0.00 C ATOM 744 CD PRO B 32 -41.292 9.380 39.044 1.00 0.00 C ATOM 0 HA PRO B 32 -43.460 11.786 38.630 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -40.786 12.706 38.945 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -41.702 12.038 40.282 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -39.645 10.678 38.526 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -39.898 10.505 40.252 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -40.767 8.608 38.482 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -41.629 8.923 39.975 1.00 0.00 H new ATOM 752 N SER B 33 -41.496 11.667 36.036 1.00 0.00 N ATOM 753 CA SER B 33 -41.448 12.063 34.591 1.00 0.00 C ATOM 754 C SER B 33 -42.480 11.399 33.615 1.00 0.00 C ATOM 755 O SER B 33 -42.494 11.656 32.410 1.00 0.00 O ATOM 756 CB SER B 33 -40.030 11.690 34.137 1.00 0.00 C ATOM 757 OG SER B 33 -39.688 12.266 32.872 1.00 0.00 O ATOM 0 H SER B 33 -40.815 10.948 36.280 1.00 0.00 H new ATOM 0 HA SER B 33 -41.713 13.119 34.539 1.00 0.00 H new ATOM 0 HB2 SER B 33 -39.313 12.021 34.888 1.00 0.00 H new ATOM 0 HB3 SER B 33 -39.947 10.605 34.073 1.00 0.00 H new ATOM 0 HG SER B 33 -40.446 12.179 32.257 1.00 0.00 H new