USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=12 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= -0.507 X(o=-0.82,f=-0.38) USER MOD Set 1.2: B 24 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ -113:sc= 0.032 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.14) USER MOD Single : B 8 LYS NZ :NH3+ 166:sc= 1.2 (180deg=0.939) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 11 SER OG : rot 56:sc= 0.28 USER MOD Single : B 13 SER OG : rot 180:sc= 0.00116 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot -31:sc= 1.24 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 0.12 K(o=0.12,f=-1.4) USER MOD Single : B 25 ASN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : B 27 SER OG : rot 120:sc= -0.0166 USER MOD Single : B 28 GLN : amide:sc= -0.698 K(o=-0.7,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 5 -45.881 -1.070 51.765 1.00 0.00 N ATOM 69 CA VAL A 5 -45.552 -0.567 50.393 1.00 0.00 C ATOM 70 C VAL A 5 -46.815 -0.735 49.469 1.00 0.00 C ATOM 71 O VAL A 5 -47.314 -1.842 49.235 1.00 0.00 O ATOM 72 CB VAL A 5 -44.267 -1.243 49.799 1.00 0.00 C ATOM 73 CG1 VAL A 5 -43.805 -0.625 48.456 1.00 0.00 C ATOM 74 CG2 VAL A 5 -43.019 -1.216 50.718 1.00 0.00 C ATOM 0 HA VAL A 5 -45.306 0.493 50.453 1.00 0.00 H new ATOM 0 HB VAL A 5 -44.611 -2.269 49.673 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -42.912 -1.142 48.106 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -44.598 -0.729 47.716 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -43.579 0.432 48.600 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -42.186 -1.708 50.215 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -42.751 -0.182 50.937 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -43.241 -1.739 51.648 1.00 0.00 H new ATOM 84 N ARG A 6 -47.339 0.399 48.998 1.00 0.00 N ATOM 85 CA ARG A 6 -48.635 0.479 48.268 1.00 0.00 C ATOM 86 C ARG A 6 -48.482 0.493 46.708 1.00 0.00 C ATOM 87 O ARG A 6 -47.632 1.181 46.134 1.00 0.00 O ATOM 88 CB ARG A 6 -49.392 1.776 48.704 1.00 0.00 C ATOM 89 CG ARG A 6 -49.905 1.870 50.167 1.00 0.00 C ATOM 90 CD ARG A 6 -50.795 3.110 50.459 1.00 0.00 C ATOM 91 NE ARG A 6 -52.199 2.921 49.969 1.00 0.00 N ATOM 92 CZ ARG A 6 -52.636 3.257 48.761 1.00 0.00 C ATOM 93 NH1 ARG A 6 -52.174 4.270 48.102 1.00 0.00 N ATOM 94 NH2 ARG A 6 -53.571 2.545 48.215 1.00 0.00 N ATOM 0 H ARG A 6 -46.882 1.304 49.107 1.00 0.00 H new ATOM 0 HA ARG A 6 -49.190 -0.422 48.528 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -48.729 2.623 48.529 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -50.249 1.900 48.042 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -50.472 0.969 50.398 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -49.047 1.888 50.839 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -50.808 3.302 51.532 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -50.360 3.989 49.983 1.00 0.00 H new ATOM 0 HE ARG A 6 -52.870 2.502 50.613 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -51.441 4.851 48.508 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -52.543 4.487 47.176 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -53.958 1.743 48.713 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -53.920 2.787 47.288 1.00 0.00 H new ATOM 125 N PRO A 8 -50.517 2.887 44.205 1.00 0.00 N ATOM 126 CA PRO A 8 -51.095 4.226 44.523 1.00 0.00 C ATOM 127 C PRO A 8 -52.664 4.362 44.486 1.00 0.00 C ATOM 128 O PRO A 8 -53.195 4.760 45.531 1.00 0.00 O ATOM 129 CB PRO A 8 -50.273 5.194 43.652 1.00 0.00 C ATOM 130 CG PRO A 8 -49.650 4.344 42.548 1.00 0.00 C ATOM 131 CD PRO A 8 -49.562 2.914 43.093 1.00 0.00 C ATOM 0 HA PRO A 8 -50.996 4.466 45.582 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -50.907 5.975 43.232 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -49.503 5.692 44.242 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -50.258 4.377 41.644 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -48.662 4.719 42.282 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -49.821 2.181 42.329 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -48.553 2.679 43.431 1.00 0.00 H new ATOM 139 N PRO A 9 -53.461 3.994 43.436 1.00 0.00 N ATOM 140 CA PRO A 9 -54.927 3.775 43.581 1.00 0.00 C ATOM 141 C PRO A 9 -55.258 2.467 44.398 1.00 0.00 C ATOM 142 O PRO A 9 -55.131 2.474 45.627 1.00 0.00 O ATOM 143 CB PRO A 9 -55.362 3.881 42.096 1.00 0.00 C ATOM 144 CG PRO A 9 -54.184 3.323 41.284 1.00 0.00 C ATOM 145 CD PRO A 9 -52.956 3.764 42.071 1.00 0.00 C ATOM 0 HA PRO A 9 -55.492 4.477 44.195 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -56.272 3.310 41.912 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -55.574 4.914 41.822 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -54.236 2.238 41.199 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -54.173 3.722 40.270 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -52.179 2.999 42.058 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -52.519 4.670 41.651 1.00 0.00 H new ATOM 153 N LYS A 10 -55.665 1.363 43.748 1.00 0.00 N ATOM 154 CA LYS A 10 -55.746 0.007 44.370 1.00 0.00 C ATOM 155 C LYS A 10 -55.796 -1.138 43.287 1.00 0.00 C ATOM 156 O LYS A 10 -56.011 -0.909 42.090 1.00 0.00 O ATOM 157 CB LYS A 10 -56.917 -0.091 45.412 1.00 0.00 C ATOM 158 CG LYS A 10 -58.366 0.070 44.875 1.00 0.00 C ATOM 159 CD LYS A 10 -59.475 -0.270 45.902 1.00 0.00 C ATOM 160 CE LYS A 10 -59.650 -1.760 46.283 1.00 0.00 C ATOM 161 NZ LYS A 10 -60.219 -2.563 45.169 1.00 0.00 N ATOM 0 H LYS A 10 -55.951 1.374 42.769 1.00 0.00 H new ATOM 0 HA LYS A 10 -54.824 -0.145 44.931 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -56.847 -1.059 45.908 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -56.754 0.670 46.175 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -58.503 1.098 44.539 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -58.489 -0.570 44.001 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -59.275 0.291 46.815 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -60.424 0.092 45.507 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -58.684 -2.175 46.571 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -60.302 -1.836 47.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -60.318 -3.553 45.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -61.153 -2.185 44.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -59.585 -2.513 44.346 1.00 0.00 H new ATOM 213 N LYS B 1 -30.502 11.639 34.431 1.00 0.00 N ATOM 214 CA LYS B 1 -30.913 10.671 35.494 1.00 0.00 C ATOM 215 C LYS B 1 -32.367 10.925 36.046 1.00 0.00 C ATOM 216 O LYS B 1 -32.951 11.978 35.784 1.00 0.00 O ATOM 217 CB LYS B 1 -29.814 10.627 36.607 1.00 0.00 C ATOM 218 CG LYS B 1 -29.730 11.807 37.625 1.00 0.00 C ATOM 219 CD LYS B 1 -28.934 11.444 38.908 1.00 0.00 C ATOM 220 CE LYS B 1 -29.171 12.380 40.119 1.00 0.00 C ATOM 221 NZ LYS B 1 -30.420 12.003 40.858 1.00 0.00 N ATOM 0 H1 LYS B 1 -30.403 11.138 33.525 1.00 0.00 H new ATOM 0 H2 LYS B 1 -31.225 12.381 34.339 1.00 0.00 H new ATOM 0 H3 LYS B 1 -29.592 12.072 34.689 1.00 0.00 H new ATOM 0 HA LYS B 1 -30.982 9.679 35.048 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -29.957 9.709 37.177 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -28.846 10.548 36.112 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -29.260 12.664 37.142 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -30.739 12.112 37.904 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -29.192 10.426 39.200 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -27.870 11.447 38.669 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -28.317 12.330 40.794 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -29.246 13.412 39.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -30.694 12.778 41.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -31.186 11.827 40.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -30.247 11.142 41.415 1.00 0.00 H new ATOM 237 N LEU B 2 -32.924 10.008 36.860 1.00 0.00 N ATOM 238 CA LEU B 2 -34.120 10.310 37.711 1.00 0.00 C ATOM 239 C LEU B 2 -33.835 11.257 38.955 1.00 0.00 C ATOM 240 O LEU B 2 -32.659 11.505 39.261 1.00 0.00 O ATOM 241 CB LEU B 2 -34.743 8.939 38.115 1.00 0.00 C ATOM 242 CG LEU B 2 -33.986 8.163 39.227 1.00 0.00 C ATOM 243 CD1 LEU B 2 -34.646 8.411 40.584 1.00 0.00 C ATOM 244 CD2 LEU B 2 -33.947 6.653 38.953 1.00 0.00 C ATOM 0 H LEU B 2 -32.577 9.054 36.955 1.00 0.00 H new ATOM 0 HA LEU B 2 -34.827 10.903 37.131 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -35.767 9.109 38.447 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -34.796 8.308 37.228 1.00 0.00 H new ATOM 0 HG LEU B 2 -32.960 8.532 39.235 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -34.107 7.862 41.356 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -34.621 9.477 40.812 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -35.681 8.071 40.553 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -33.408 6.151 39.756 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -34.965 6.266 38.902 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -33.441 6.468 38.006 1.00 0.00 H new ATOM 256 N PRO B 3 -34.833 11.776 39.728 1.00 0.00 N ATOM 257 CA PRO B 3 -34.569 12.780 40.793 1.00 0.00 C ATOM 258 C PRO B 3 -33.874 12.390 42.169 1.00 0.00 C ATOM 259 O PRO B 3 -33.918 11.230 42.616 1.00 0.00 O ATOM 260 CB PRO B 3 -35.944 13.461 40.930 1.00 0.00 C ATOM 261 CG PRO B 3 -36.800 13.037 39.744 1.00 0.00 C ATOM 262 CD PRO B 3 -36.272 11.656 39.402 1.00 0.00 C ATOM 0 HA PRO B 3 -33.736 13.409 40.480 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -36.421 13.172 41.867 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -35.832 14.545 40.951 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -37.859 13.009 40.002 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -36.694 13.726 38.906 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -36.758 10.878 39.990 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -36.432 11.409 38.353 1.00 0.00 H new ATOM 270 N PRO B 4 -33.191 13.345 42.882 1.00 0.00 N ATOM 271 CA PRO B 4 -32.638 13.099 44.243 1.00 0.00 C ATOM 272 C PRO B 4 -33.747 12.999 45.346 1.00 0.00 C ATOM 273 O PRO B 4 -34.658 13.829 45.423 1.00 0.00 O ATOM 274 CB PRO B 4 -31.697 14.308 44.398 1.00 0.00 C ATOM 275 CG PRO B 4 -32.376 15.457 43.645 1.00 0.00 C ATOM 276 CD PRO B 4 -33.233 14.790 42.565 1.00 0.00 C ATOM 0 HA PRO B 4 -32.132 12.141 44.361 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -31.552 14.560 45.449 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -30.712 14.094 43.982 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -32.989 16.058 44.317 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -31.638 16.126 43.202 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -34.255 15.168 42.582 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -32.837 14.987 41.569 1.00 0.00 H new ATOM 284 N GLY B 5 -33.691 11.935 46.149 1.00 0.00 N ATOM 285 CA GLY B 5 -34.870 11.484 46.941 1.00 0.00 C ATOM 286 C GLY B 5 -35.800 10.436 46.293 1.00 0.00 C ATOM 287 O GLY B 5 -36.989 10.456 46.610 1.00 0.00 O ATOM 0 H GLY B 5 -32.856 11.364 46.278 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -34.506 11.075 47.884 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -35.469 12.362 47.184 1.00 0.00 H new ATOM 291 N TRP B 6 -35.297 9.493 45.477 1.00 0.00 N ATOM 292 CA TRP B 6 -36.102 8.350 44.982 1.00 0.00 C ATOM 293 C TRP B 6 -35.546 6.923 45.287 1.00 0.00 C ATOM 294 O TRP B 6 -34.384 6.735 45.657 1.00 0.00 O ATOM 295 CB TRP B 6 -36.085 8.621 43.458 1.00 0.00 C ATOM 296 CG TRP B 6 -37.228 9.488 42.975 1.00 0.00 C ATOM 297 CD1 TRP B 6 -37.185 10.883 42.862 1.00 0.00 C ATOM 298 CD2 TRP B 6 -38.520 9.122 42.715 1.00 0.00 C ATOM 299 NE1 TRP B 6 -38.438 11.423 42.542 1.00 0.00 N ATOM 300 CE2 TRP B 6 -39.251 10.316 42.481 1.00 0.00 C ATOM 301 CE3 TRP B 6 -39.159 7.852 42.662 1.00 0.00 C ATOM 302 CZ2 TRP B 6 -40.610 10.255 42.149 1.00 0.00 C ATOM 303 CZ3 TRP B 6 -40.540 7.855 42.464 1.00 0.00 C ATOM 304 CH2 TRP B 6 -41.250 9.022 42.176 1.00 0.00 C ATOM 0 H TRP B 6 -34.333 9.496 45.142 1.00 0.00 H new ATOM 0 HA TRP B 6 -37.076 8.316 45.470 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -35.142 9.101 43.195 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -36.116 7.668 42.929 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -36.292 11.473 43.005 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -38.687 12.401 42.391 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -38.603 6.932 42.770 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -41.151 11.150 41.877 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -41.079 6.922 42.536 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -42.309 8.966 41.972 1.00 0.00 H new ATOM 315 N GLU B 7 -36.381 5.898 45.024 1.00 0.00 N ATOM 316 CA GLU B 7 -35.921 4.599 44.519 1.00 0.00 C ATOM 317 C GLU B 7 -36.997 3.914 43.604 1.00 0.00 C ATOM 318 O GLU B 7 -38.092 4.412 43.332 1.00 0.00 O ATOM 319 CB GLU B 7 -35.438 3.729 45.737 1.00 0.00 C ATOM 320 CG GLU B 7 -34.062 3.033 45.594 1.00 0.00 C ATOM 321 CD GLU B 7 -34.059 1.720 44.855 1.00 0.00 C ATOM 322 OE1 GLU B 7 -34.433 0.681 45.434 1.00 0.00 O ATOM 323 OE2 GLU B 7 -33.702 1.710 43.664 1.00 0.00 O ATOM 0 H GLU B 7 -37.391 5.952 45.157 1.00 0.00 H new ATOM 0 HA GLU B 7 -35.065 4.728 43.856 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.406 4.368 46.620 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -36.189 2.962 45.926 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -33.383 3.716 45.083 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.656 2.866 46.592 1.00 0.00 H new ATOM 330 N LYS B 8 -36.618 2.747 43.102 1.00 0.00 N ATOM 331 CA LYS B 8 -37.513 1.783 42.397 1.00 0.00 C ATOM 332 C LYS B 8 -37.969 0.599 43.326 1.00 0.00 C ATOM 333 O LYS B 8 -37.138 -0.042 43.980 1.00 0.00 O ATOM 334 CB LYS B 8 -36.921 1.420 40.997 1.00 0.00 C ATOM 335 CG LYS B 8 -35.492 0.844 40.867 1.00 0.00 C ATOM 336 CD LYS B 8 -35.413 -0.684 41.084 1.00 0.00 C ATOM 337 CE LYS B 8 -33.992 -1.182 41.440 1.00 0.00 C ATOM 338 NZ LYS B 8 -33.764 -0.847 42.887 1.00 0.00 N ATOM 0 H LYS B 8 -35.655 2.416 43.165 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.468 2.254 42.165 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -37.599 0.700 40.539 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -36.958 2.324 40.389 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -35.103 1.081 39.877 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -34.844 1.338 41.591 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.099 -0.966 41.882 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -35.751 -1.190 40.180 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -33.906 -2.256 41.274 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.244 -0.701 40.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -32.932 -1.364 43.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -33.603 0.176 42.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.600 -1.121 43.443 1.00 0.00 H new ATOM 352 N ARG B 9 -39.291 0.326 43.448 1.00 0.00 N ATOM 353 CA ARG B 9 -39.829 -0.632 44.460 1.00 0.00 C ATOM 354 C ARG B 9 -40.766 -1.636 43.775 1.00 0.00 C ATOM 355 O ARG B 9 -41.702 -1.241 43.095 1.00 0.00 O ATOM 356 CB ARG B 9 -40.617 0.080 45.582 1.00 0.00 C ATOM 357 CG ARG B 9 -39.775 0.775 46.658 1.00 0.00 C ATOM 358 CD ARG B 9 -39.020 -0.108 47.657 1.00 0.00 C ATOM 359 NE ARG B 9 -38.448 0.776 48.729 1.00 0.00 N ATOM 360 CZ ARG B 9 -37.226 1.317 48.672 1.00 0.00 C ATOM 361 NH1 ARG B 9 -36.321 1.006 47.778 1.00 0.00 N ATOM 362 NH2 ARG B 9 -36.922 2.215 49.546 1.00 0.00 N ATOM 0 H ARG B 9 -40.008 0.752 42.861 1.00 0.00 H new ATOM 0 HA ARG B 9 -38.973 -1.136 44.908 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -41.271 0.823 45.125 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -41.260 -0.653 46.069 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -39.046 1.409 46.154 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -40.433 1.434 47.224 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -39.691 -0.848 48.093 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -38.225 -0.657 47.153 1.00 0.00 H new ATOM 0 HE ARG B 9 -39.024 0.975 49.547 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -36.529 0.309 47.063 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -35.408 1.461 47.797 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -37.605 2.492 50.252 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -35.999 2.649 49.532 1.00 0.00 H new ATOM 376 N MET B 10 -40.513 -2.921 43.959 1.00 0.00 N ATOM 377 CA MET B 10 -40.984 -3.957 42.993 1.00 0.00 C ATOM 378 C MET B 10 -42.071 -4.940 43.517 1.00 0.00 C ATOM 379 O MET B 10 -41.948 -5.553 44.580 1.00 0.00 O ATOM 380 CB MET B 10 -39.766 -4.756 42.462 1.00 0.00 C ATOM 381 CG MET B 10 -38.802 -4.004 41.524 1.00 0.00 C ATOM 382 SD MET B 10 -39.649 -3.156 40.172 1.00 0.00 S ATOM 383 CE MET B 10 -40.069 -4.535 39.094 1.00 0.00 C ATOM 0 H MET B 10 -39.991 -3.291 44.753 1.00 0.00 H new ATOM 0 HA MET B 10 -41.481 -3.398 42.201 1.00 0.00 H new ATOM 0 HB2 MET B 10 -39.196 -5.117 43.318 1.00 0.00 H new ATOM 0 HB3 MET B 10 -40.139 -5.634 41.934 1.00 0.00 H new ATOM 0 HG2 MET B 10 -38.235 -3.276 42.103 1.00 0.00 H new ATOM 0 HG3 MET B 10 -38.083 -4.710 41.109 1.00 0.00 H new ATOM 0 HE1 MET B 10 -40.597 -4.163 38.216 1.00 0.00 H new ATOM 0 HE2 MET B 10 -39.157 -5.043 38.781 1.00 0.00 H new ATOM 0 HE3 MET B 10 -40.708 -5.236 39.632 1.00 0.00 H new ATOM 393 N SER B 11 -43.080 -5.179 42.665 1.00 0.00 N ATOM 394 CA SER B 11 -43.652 -6.545 42.436 1.00 0.00 C ATOM 395 C SER B 11 -44.034 -7.480 43.634 1.00 0.00 C ATOM 396 O SER B 11 -43.582 -8.626 43.720 1.00 0.00 O ATOM 397 CB SER B 11 -42.814 -7.267 41.341 1.00 0.00 C ATOM 398 OG SER B 11 -41.597 -7.796 41.871 1.00 0.00 O ATOM 0 H SER B 11 -43.529 -4.448 42.113 1.00 0.00 H new ATOM 0 HA SER B 11 -44.669 -6.321 42.114 1.00 0.00 H new ATOM 0 HB2 SER B 11 -43.403 -8.074 40.905 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.587 -6.568 40.536 1.00 0.00 H new ATOM 0 HG SER B 11 -41.800 -8.398 42.617 1.00 0.00 H new ATOM 404 N ARG B 12 -44.976 -7.046 44.486 1.00 0.00 N ATOM 405 CA ARG B 12 -45.648 -7.973 45.458 1.00 0.00 C ATOM 406 C ARG B 12 -46.666 -9.030 44.868 1.00 0.00 C ATOM 407 O ARG B 12 -47.021 -9.994 45.547 1.00 0.00 O ATOM 408 CB ARG B 12 -46.208 -7.126 46.630 1.00 0.00 C ATOM 409 CG ARG B 12 -47.510 -6.326 46.371 1.00 0.00 C ATOM 410 CD ARG B 12 -47.865 -5.442 47.575 1.00 0.00 C ATOM 411 NE ARG B 12 -49.265 -4.962 47.451 1.00 0.00 N ATOM 412 CZ ARG B 12 -49.939 -4.327 48.406 1.00 0.00 C ATOM 413 NH1 ARG B 12 -49.416 -3.897 49.514 1.00 0.00 N ATOM 414 NH2 ARG B 12 -51.184 -4.092 48.217 1.00 0.00 N ATOM 0 H ARG B 12 -45.297 -6.079 44.535 1.00 0.00 H new ATOM 0 HA ARG B 12 -44.880 -8.655 45.822 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -46.384 -7.793 47.474 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -45.435 -6.422 46.937 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -47.388 -5.705 45.483 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -48.330 -7.015 46.168 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -47.745 -6.006 48.500 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -47.183 -4.593 47.628 1.00 0.00 H new ATOM 0 HE ARG B 12 -49.746 -5.132 46.568 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -48.423 -4.039 49.698 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -49.998 -3.417 50.200 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -51.634 -4.390 47.351 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -51.726 -3.607 48.932 1.00 0.00 H new ATOM 428 N SER B 13 -47.125 -8.862 43.615 1.00 0.00 N ATOM 429 CA SER B 13 -47.631 -9.984 42.773 1.00 0.00 C ATOM 430 C SER B 13 -46.972 -9.938 41.340 1.00 0.00 C ATOM 431 O SER B 13 -46.212 -9.021 40.999 1.00 0.00 O ATOM 432 CB SER B 13 -49.181 -9.932 42.809 1.00 0.00 C ATOM 433 OG SER B 13 -49.763 -11.064 42.158 1.00 0.00 O ATOM 0 H SER B 13 -47.160 -7.954 43.151 1.00 0.00 H new ATOM 0 HA SER B 13 -47.340 -10.962 43.157 1.00 0.00 H new ATOM 0 HB2 SER B 13 -49.520 -9.893 43.844 1.00 0.00 H new ATOM 0 HB3 SER B 13 -49.526 -9.017 42.326 1.00 0.00 H new ATOM 0 HG SER B 13 -50.740 -11.000 42.201 1.00 0.00 H new ATOM 439 N SER B 14 -47.241 -10.948 40.494 1.00 0.00 N ATOM 440 CA SER B 14 -46.454 -11.229 39.257 1.00 0.00 C ATOM 441 C SER B 14 -46.592 -10.167 38.109 1.00 0.00 C ATOM 442 O SER B 14 -47.542 -10.159 37.319 1.00 0.00 O ATOM 443 CB SER B 14 -46.825 -12.660 38.799 1.00 0.00 C ATOM 444 OG SER B 14 -45.942 -13.087 37.761 1.00 0.00 O ATOM 0 H SER B 14 -48.011 -11.601 40.640 1.00 0.00 H new ATOM 0 HA SER B 14 -45.395 -11.155 39.503 1.00 0.00 H new ATOM 0 HB2 SER B 14 -46.766 -13.347 39.643 1.00 0.00 H new ATOM 0 HB3 SER B 14 -47.855 -12.681 38.443 1.00 0.00 H new ATOM 0 HG SER B 14 -46.183 -13.994 37.479 1.00 0.00 H new ATOM 450 N GLY B 15 -45.626 -9.240 38.071 1.00 0.00 N ATOM 451 CA GLY B 15 -45.577 -8.138 37.066 1.00 0.00 C ATOM 452 C GLY B 15 -46.279 -6.828 37.482 1.00 0.00 C ATOM 453 O GLY B 15 -47.197 -6.372 36.798 1.00 0.00 O ATOM 0 H GLY B 15 -44.849 -9.222 38.732 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -44.533 -7.916 36.846 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -46.029 -8.494 36.140 1.00 0.00 H new ATOM 457 N ARG B 16 -45.901 -6.263 38.636 1.00 0.00 N ATOM 458 CA ARG B 16 -46.451 -4.983 39.158 1.00 0.00 C ATOM 459 C ARG B 16 -45.322 -4.137 39.822 1.00 0.00 C ATOM 460 O ARG B 16 -44.258 -4.650 40.152 1.00 0.00 O ATOM 461 CB ARG B 16 -47.666 -5.230 40.112 1.00 0.00 C ATOM 462 CG ARG B 16 -48.956 -5.858 39.518 1.00 0.00 C ATOM 463 CD ARG B 16 -48.971 -7.395 39.610 1.00 0.00 C ATOM 464 NE ARG B 16 -50.232 -7.998 39.087 1.00 0.00 N ATOM 465 CZ ARG B 16 -50.458 -8.330 37.818 1.00 0.00 C ATOM 466 NH1 ARG B 16 -49.675 -8.004 36.829 1.00 0.00 N ATOM 467 NH2 ARG B 16 -51.524 -9.010 37.546 1.00 0.00 N ATOM 0 H ARG B 16 -45.198 -6.678 39.248 1.00 0.00 H new ATOM 0 HA ARG B 16 -46.838 -4.402 38.321 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -47.326 -5.875 40.923 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -47.938 -4.273 40.558 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -49.824 -5.459 40.044 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -49.051 -5.561 38.474 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -48.125 -7.795 39.052 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -48.836 -7.693 40.650 1.00 0.00 H new ATOM 0 HE ARG B 16 -50.982 -8.170 39.757 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -48.829 -7.462 37.005 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -49.908 -8.291 35.878 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -52.164 -9.277 38.294 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -51.725 -9.280 36.583 1.00 0.00 H new ATOM 481 N VAL B 17 -45.575 -2.841 40.036 1.00 0.00 N ATOM 482 CA VAL B 17 -44.790 -1.981 40.982 1.00 0.00 C ATOM 483 C VAL B 17 -43.282 -1.703 40.604 1.00 0.00 C ATOM 484 O VAL B 17 -42.549 -2.608 40.208 1.00 0.00 O ATOM 485 CB VAL B 17 -45.129 -2.248 42.491 1.00 0.00 C ATOM 486 CG1 VAL B 17 -44.880 -1.031 43.421 1.00 0.00 C ATOM 487 CG2 VAL B 17 -46.568 -2.688 42.845 1.00 0.00 C ATOM 0 H VAL B 17 -46.329 -2.340 39.565 1.00 0.00 H new ATOM 0 HA VAL B 17 -45.173 -0.973 40.819 1.00 0.00 H new ATOM 0 HB VAL B 17 -44.442 -3.078 42.656 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -45.138 -1.297 44.446 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -43.829 -0.746 43.374 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -45.498 -0.193 43.097 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -46.649 -2.834 43.922 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -47.272 -1.918 42.529 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -46.799 -3.623 42.334 1.00 0.00 H new ATOM 497 N TYR B 18 -42.809 -0.435 40.668 1.00 0.00 N ATOM 498 CA TYR B 18 -41.472 -0.028 40.161 1.00 0.00 C ATOM 499 C TYR B 18 -40.959 1.384 40.625 1.00 0.00 C ATOM 500 O TYR B 18 -39.829 1.716 40.286 1.00 0.00 O ATOM 501 CB TYR B 18 -41.256 -0.322 38.641 1.00 0.00 C ATOM 502 CG TYR B 18 -42.398 0.111 37.714 1.00 0.00 C ATOM 503 CD1 TYR B 18 -42.610 1.470 37.497 1.00 0.00 C ATOM 504 CD2 TYR B 18 -43.407 -0.805 37.404 1.00 0.00 C ATOM 505 CE1 TYR B 18 -43.850 1.921 37.065 1.00 0.00 C ATOM 506 CE2 TYR B 18 -44.652 -0.353 36.988 1.00 0.00 C ATOM 507 CZ TYR B 18 -44.876 1.011 36.806 1.00 0.00 C ATOM 508 OH TYR B 18 -46.141 1.450 36.519 1.00 0.00 O ATOM 0 H TYR B 18 -43.342 0.335 41.072 1.00 0.00 H new ATOM 0 HA TYR B 18 -40.797 -0.706 40.683 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -40.342 0.177 38.319 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -41.096 -1.393 38.515 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -41.809 2.174 37.665 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.218 -1.865 37.488 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -44.021 2.979 36.929 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -45.448 -1.059 36.805 1.00 0.00 H new ATOM 0 HH TYR B 18 -46.308 2.295 36.987 1.00 0.00 H new ATOM 518 N TYR B 19 -41.650 2.168 41.472 1.00 0.00 N ATOM 519 CA TYR B 19 -41.169 3.506 41.956 1.00 0.00 C ATOM 520 C TYR B 19 -41.553 3.827 43.450 1.00 0.00 C ATOM 521 O TYR B 19 -42.496 3.292 44.036 1.00 0.00 O ATOM 522 CB TYR B 19 -41.614 4.616 40.960 1.00 0.00 C ATOM 523 CG TYR B 19 -40.740 4.887 39.721 1.00 0.00 C ATOM 524 CD1 TYR B 19 -39.425 5.358 39.836 1.00 0.00 C ATOM 525 CD2 TYR B 19 -41.291 4.723 38.449 1.00 0.00 C ATOM 526 CE1 TYR B 19 -38.669 5.622 38.696 1.00 0.00 C ATOM 527 CE2 TYR B 19 -40.541 4.994 37.310 1.00 0.00 C ATOM 528 CZ TYR B 19 -39.228 5.439 37.434 1.00 0.00 C ATOM 529 OH TYR B 19 -38.474 5.680 36.318 1.00 0.00 O ATOM 0 H TYR B 19 -42.560 1.905 41.850 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.080 3.473 41.974 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -42.615 4.365 40.610 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -41.696 5.549 41.518 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -38.995 5.517 40.814 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -42.311 4.382 38.348 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -37.650 5.968 38.791 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -40.976 4.859 36.331 1.00 0.00 H new ATOM 0 HH TYR B 19 -39.010 5.504 35.517 1.00 0.00 H new ATOM 539 N PHE B 20 -40.786 4.727 44.083 1.00 0.00 N ATOM 540 CA PHE B 20 -40.977 5.171 45.495 1.00 0.00 C ATOM 541 C PHE B 20 -40.221 6.518 45.723 1.00 0.00 C ATOM 542 O PHE B 20 -39.023 6.615 45.465 1.00 0.00 O ATOM 543 CB PHE B 20 -40.453 4.036 46.420 1.00 0.00 C ATOM 544 CG PHE B 20 -40.337 4.273 47.938 1.00 0.00 C ATOM 545 CD1 PHE B 20 -39.195 4.850 48.473 1.00 0.00 C ATOM 546 CD2 PHE B 20 -41.342 3.849 48.789 1.00 0.00 C ATOM 547 CE1 PHE B 20 -39.067 5.016 49.847 1.00 0.00 C ATOM 548 CE2 PHE B 20 -41.227 4.016 50.164 1.00 0.00 C ATOM 549 CZ PHE B 20 -40.069 4.586 50.751 1.00 0.00 C ATOM 0 H PHE B 20 -39.995 5.184 43.628 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.027 5.353 45.722 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.103 3.173 46.275 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -39.464 3.754 46.059 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -38.400 5.173 47.817 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -42.226 3.383 48.380 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -38.177 5.487 50.237 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -42.041 3.704 50.802 1.00 0.00 H new ATOM 0 HZ PHE B 20 -39.958 4.686 51.821 1.00 0.00 H new ATOM 559 N ASN B 21 -40.869 7.539 46.285 1.00 0.00 N ATOM 560 CA ASN B 21 -40.171 8.767 46.757 1.00 0.00 C ATOM 561 C ASN B 21 -39.586 8.552 48.204 1.00 0.00 C ATOM 562 O ASN B 21 -40.326 8.203 49.122 1.00 0.00 O ATOM 563 CB ASN B 21 -41.228 9.901 46.668 1.00 0.00 C ATOM 564 CG ASN B 21 -40.827 11.370 46.787 1.00 0.00 C ATOM 565 OD1 ASN B 21 -41.553 12.261 46.369 1.00 0.00 O ATOM 566 ND2 ASN B 21 -39.759 11.708 47.450 1.00 0.00 N ATOM 0 H ASN B 21 -41.878 7.553 46.431 1.00 0.00 H new ATOM 0 HA ASN B 21 -39.303 9.024 46.150 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -41.737 9.787 45.711 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -41.967 9.709 47.446 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -39.547 12.693 47.608 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -39.134 10.988 47.811 1.00 0.00 H new ATOM 573 N HIS B 22 -38.279 8.782 48.420 1.00 0.00 N ATOM 574 CA HIS B 22 -37.614 8.612 49.755 1.00 0.00 C ATOM 575 C HIS B 22 -37.758 9.793 50.774 1.00 0.00 C ATOM 576 O HIS B 22 -37.992 9.572 51.961 1.00 0.00 O ATOM 577 CB HIS B 22 -36.105 8.280 49.504 1.00 0.00 C ATOM 578 CG HIS B 22 -35.679 6.905 49.980 1.00 0.00 C ATOM 579 ND1 HIS B 22 -35.538 6.543 51.300 1.00 0.00 N ATOM 580 CD2 HIS B 22 -35.360 5.830 49.150 1.00 0.00 C ATOM 581 CE1 HIS B 22 -35.121 5.249 51.152 1.00 0.00 C ATOM 582 NE2 HIS B 22 -35.003 4.708 49.893 1.00 0.00 N ATOM 0 H HIS B 22 -37.642 9.091 47.686 1.00 0.00 H new ATOM 0 HA HIS B 22 -38.146 7.800 50.250 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -35.900 8.361 48.436 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -35.492 9.030 50.004 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -35.699 7.086 52.148 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -35.387 5.864 48.071 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -34.885 4.653 52.021 1.00 0.00 H new ATOM 590 N ILE B 23 -37.563 11.035 50.312 1.00 0.00 N ATOM 591 CA ILE B 23 -37.679 12.277 51.152 1.00 0.00 C ATOM 592 C ILE B 23 -39.122 12.625 51.673 1.00 0.00 C ATOM 593 O ILE B 23 -39.270 13.136 52.783 1.00 0.00 O ATOM 594 CB ILE B 23 -36.968 13.485 50.430 1.00 0.00 C ATOM 595 CG1 ILE B 23 -37.524 13.782 49.001 1.00 0.00 C ATOM 596 CG2 ILE B 23 -35.425 13.318 50.447 1.00 0.00 C ATOM 597 CD1 ILE B 23 -36.890 14.931 48.209 1.00 0.00 C ATOM 0 H ILE B 23 -37.318 11.228 49.341 1.00 0.00 H new ATOM 0 HA ILE B 23 -37.152 12.058 52.081 1.00 0.00 H new ATOM 0 HB ILE B 23 -37.212 14.375 51.011 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -37.425 12.873 48.408 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -38.590 13.988 49.093 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -34.962 14.166 49.942 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -35.075 13.274 51.478 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -35.153 12.396 49.932 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -37.378 15.017 47.238 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -37.012 15.863 48.760 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -35.828 14.731 48.064 1.00 0.00 H new ATOM 609 N THR B 24 -40.175 12.323 50.899 1.00 0.00 N ATOM 610 CA THR B 24 -41.569 12.166 51.434 1.00 0.00 C ATOM 611 C THR B 24 -41.822 10.839 52.228 1.00 0.00 C ATOM 612 O THR B 24 -42.426 10.832 53.301 1.00 0.00 O ATOM 613 CB THR B 24 -42.594 12.236 50.253 1.00 0.00 C ATOM 614 OG1 THR B 24 -42.451 11.169 49.329 1.00 0.00 O ATOM 615 CG2 THR B 24 -42.512 13.481 49.395 1.00 0.00 C ATOM 0 H THR B 24 -40.104 12.178 49.892 1.00 0.00 H new ATOM 0 HA THR B 24 -41.701 12.984 52.142 1.00 0.00 H new ATOM 0 HB THR B 24 -43.540 12.206 50.794 1.00 0.00 H new ATOM 0 HG1 THR B 24 -43.116 11.263 48.615 1.00 0.00 H new ATOM 0 HG21 THR B 24 -43.263 13.430 48.607 1.00 0.00 H new ATOM 0 HG22 THR B 24 -42.693 14.361 50.012 1.00 0.00 H new ATOM 0 HG23 THR B 24 -41.521 13.550 48.947 1.00 0.00 H new ATOM 623 N ASN B 25 -41.413 9.736 51.588 1.00 0.00 N ATOM 624 CA ASN B 25 -41.813 8.330 51.916 1.00 0.00 C ATOM 625 C ASN B 25 -43.203 7.933 51.286 1.00 0.00 C ATOM 626 O ASN B 25 -44.139 7.534 51.985 1.00 0.00 O ATOM 627 CB ASN B 25 -41.587 7.952 53.414 1.00 0.00 C ATOM 628 CG ASN B 25 -41.437 6.463 53.732 1.00 0.00 C ATOM 629 OD1 ASN B 25 -40.360 5.957 54.015 1.00 0.00 O ATOM 630 ND2 ASN B 25 -42.502 5.706 53.718 1.00 0.00 N ATOM 0 H ASN B 25 -40.771 9.782 50.797 1.00 0.00 H new ATOM 0 HA ASN B 25 -41.113 7.667 51.408 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -40.692 8.466 53.763 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -42.425 8.341 53.993 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -42.425 4.714 53.940 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -43.410 6.108 53.485 1.00 0.00 H new ATOM 637 N ALA B 26 -43.315 8.011 49.947 1.00 0.00 N ATOM 638 CA ALA B 26 -44.535 7.624 49.194 1.00 0.00 C ATOM 639 C ALA B 26 -44.245 6.441 48.214 1.00 0.00 C ATOM 640 O ALA B 26 -43.368 6.535 47.352 1.00 0.00 O ATOM 641 CB ALA B 26 -45.021 8.888 48.459 1.00 0.00 C ATOM 0 H ALA B 26 -42.560 8.346 49.348 1.00 0.00 H new ATOM 0 HA ALA B 26 -45.313 7.259 49.865 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -45.920 8.654 47.888 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -45.246 9.668 49.186 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -44.242 9.237 47.781 1.00 0.00 H new ATOM 647 N SER B 27 -44.989 5.332 48.333 1.00 0.00 N ATOM 648 CA SER B 27 -44.870 4.177 47.392 1.00 0.00 C ATOM 649 C SER B 27 -45.808 4.311 46.157 1.00 0.00 C ATOM 650 O SER B 27 -46.990 4.654 46.296 1.00 0.00 O ATOM 651 CB SER B 27 -45.208 2.887 48.169 1.00 0.00 C ATOM 652 OG SER B 27 -44.398 2.710 49.332 1.00 0.00 O ATOM 0 H SER B 27 -45.684 5.197 49.068 1.00 0.00 H new ATOM 0 HA SER B 27 -43.850 4.151 47.008 1.00 0.00 H new ATOM 0 HB2 SER B 27 -46.257 2.911 48.463 1.00 0.00 H new ATOM 0 HB3 SER B 27 -45.081 2.028 47.510 1.00 0.00 H new ATOM 0 HG SER B 27 -44.970 2.679 50.127 1.00 0.00 H new ATOM 658 N GLN B 28 -45.278 4.051 44.950 1.00 0.00 N ATOM 659 CA GLN B 28 -46.033 4.244 43.685 1.00 0.00 C ATOM 660 C GLN B 28 -45.642 3.217 42.561 1.00 0.00 C ATOM 661 O GLN B 28 -44.696 2.430 42.651 1.00 0.00 O ATOM 662 CB GLN B 28 -46.002 5.757 43.293 1.00 0.00 C ATOM 663 CG GLN B 28 -44.634 6.369 42.889 1.00 0.00 C ATOM 664 CD GLN B 28 -44.488 7.856 43.229 1.00 0.00 C ATOM 665 OE1 GLN B 28 -43.886 8.222 44.232 1.00 0.00 O ATOM 666 NE2 GLN B 28 -45.009 8.766 42.439 1.00 0.00 N ATOM 0 H GLN B 28 -44.328 3.705 44.816 1.00 0.00 H new ATOM 0 HA GLN B 28 -47.083 3.994 43.840 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -46.693 5.903 42.463 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -46.390 6.330 44.135 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -43.839 5.814 43.387 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -44.492 6.237 41.816 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -45.514 8.483 41.599 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -44.909 9.756 42.665 1.00 0.00 H new ATOM 675 N TRP B 29 -46.401 3.236 41.462 1.00 0.00 N ATOM 676 CA TRP B 29 -45.976 2.613 40.174 1.00 0.00 C ATOM 677 C TRP B 29 -45.961 3.681 39.032 1.00 0.00 C ATOM 678 O TRP B 29 -46.678 3.590 38.033 1.00 0.00 O ATOM 679 CB TRP B 29 -46.766 1.297 39.941 1.00 0.00 C ATOM 680 CG TRP B 29 -48.247 1.241 39.514 1.00 0.00 C ATOM 681 CD1 TRP B 29 -49.269 2.192 39.725 1.00 0.00 C ATOM 682 CD2 TRP B 29 -48.905 0.108 39.059 1.00 0.00 C ATOM 683 NE1 TRP B 29 -50.551 1.650 39.512 1.00 0.00 N ATOM 684 CE2 TRP B 29 -50.298 0.364 39.080 1.00 0.00 C ATOM 685 CE3 TRP B 29 -48.419 -1.168 38.672 1.00 0.00 C ATOM 686 CZ2 TRP B 29 -51.215 -0.663 38.761 1.00 0.00 C ATOM 687 CZ3 TRP B 29 -49.341 -2.160 38.338 1.00 0.00 C ATOM 688 CH2 TRP B 29 -50.719 -1.915 38.390 1.00 0.00 C ATOM 0 H TRP B 29 -47.321 3.675 41.424 1.00 0.00 H new ATOM 0 HA TRP B 29 -44.939 2.279 40.197 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -46.211 0.739 39.187 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -46.696 0.732 40.871 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -49.088 3.216 40.016 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -51.455 2.102 39.646 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -47.358 -1.367 38.637 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -52.279 -0.483 38.803 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -48.986 -3.134 38.034 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -51.409 -2.707 38.139 1.00 0.00 H new ATOM 699 N GLU B 30 -45.129 4.724 39.207 1.00 0.00 N ATOM 700 CA GLU B 30 -45.384 6.057 38.599 1.00 0.00 C ATOM 701 C GLU B 30 -44.063 6.875 38.453 1.00 0.00 C ATOM 702 O GLU B 30 -43.267 7.006 39.390 1.00 0.00 O ATOM 703 CB GLU B 30 -46.392 6.786 39.525 1.00 0.00 C ATOM 704 CG GLU B 30 -47.086 8.041 38.956 1.00 0.00 C ATOM 705 CD GLU B 30 -48.029 8.634 39.978 1.00 0.00 C ATOM 706 OE1 GLU B 30 -47.550 9.367 40.865 1.00 0.00 O ATOM 707 OE2 GLU B 30 -49.239 8.337 39.923 1.00 0.00 O ATOM 0 H GLU B 30 -44.274 4.677 39.762 1.00 0.00 H new ATOM 0 HA GLU B 30 -45.790 5.949 37.593 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -47.165 6.073 39.812 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -45.868 7.073 40.437 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -46.337 8.780 38.671 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -47.637 7.781 38.052 1.00 0.00 H new ATOM 714 N ARG B 31 -43.825 7.419 37.252 1.00 0.00 N ATOM 715 CA ARG B 31 -42.566 8.139 36.935 1.00 0.00 C ATOM 716 C ARG B 31 -42.669 9.693 37.157 1.00 0.00 C ATOM 717 O ARG B 31 -43.595 10.288 36.597 1.00 0.00 O ATOM 718 CB ARG B 31 -42.200 7.744 35.475 1.00 0.00 C ATOM 719 CG ARG B 31 -40.771 8.148 35.043 1.00 0.00 C ATOM 720 CD ARG B 31 -40.452 7.739 33.590 1.00 0.00 C ATOM 721 NE ARG B 31 -39.248 8.486 33.122 1.00 0.00 N ATOM 722 CZ ARG B 31 -39.256 9.715 32.603 1.00 0.00 C ATOM 723 NH1 ARG B 31 -40.336 10.328 32.215 1.00 0.00 N ATOM 724 NH2 ARG B 31 -38.135 10.350 32.483 1.00 0.00 N ATOM 0 H ARG B 31 -44.485 7.378 36.476 1.00 0.00 H new ATOM 0 HA ARG B 31 -41.770 7.847 37.620 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -42.308 6.665 35.366 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -42.916 8.207 34.796 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -40.656 9.227 35.146 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -40.048 7.684 35.714 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -40.273 6.665 33.533 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -41.303 7.955 32.944 1.00 0.00 H new ATOM 0 HE ARG B 31 -38.345 8.019 33.206 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -41.242 9.868 32.300 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -40.276 11.269 31.826 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -37.265 9.910 32.783 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -38.121 11.290 32.088 1.00 0.00 H new ATOM 738 N PRO B 32 -41.715 10.413 37.834 1.00 0.00 N ATOM 739 CA PRO B 32 -41.796 11.905 38.013 1.00 0.00 C ATOM 740 C PRO B 32 -41.712 12.846 36.747 1.00 0.00 C ATOM 741 O PRO B 32 -41.548 14.061 36.892 1.00 0.00 O ATOM 742 CB PRO B 32 -40.623 12.192 38.991 1.00 0.00 C ATOM 743 CG PRO B 32 -39.733 10.956 38.960 1.00 0.00 C ATOM 744 CD PRO B 32 -40.619 9.781 38.587 1.00 0.00 C ATOM 0 HA PRO B 32 -42.802 12.151 38.353 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -40.069 13.079 38.684 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -40.993 12.380 39.999 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -38.929 11.078 38.235 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -39.265 10.793 39.931 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -40.084 9.049 37.982 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -40.986 9.257 39.470 1.00 0.00 H new ATOM 752 N SER B 33 -41.796 12.305 35.518 1.00 0.00 N ATOM 753 CA SER B 33 -41.747 13.077 34.237 1.00 0.00 C ATOM 754 C SER B 33 -40.340 13.636 33.817 1.00 0.00 C ATOM 755 O SER B 33 -39.767 13.177 32.820 1.00 0.00 O ATOM 756 CB SER B 33 -42.904 14.101 34.084 1.00 0.00 C ATOM 757 OG SER B 33 -42.964 14.587 32.740 1.00 0.00 O ATOM 0 H SER B 33 -41.902 11.301 35.371 1.00 0.00 H new ATOM 0 HA SER B 33 -41.928 12.310 33.484 1.00 0.00 H new ATOM 0 HB2 SER B 33 -43.851 13.632 34.351 1.00 0.00 H new ATOM 0 HB3 SER B 33 -42.755 14.933 34.772 1.00 0.00 H new ATOM 0 HG SER B 33 -43.699 15.230 32.657 1.00 0.00 H new