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= -0.0575 X(o=-0.017,f=0) USER MOD Set 1.2: B 24 THR OG1 : rot 127:sc= 0.0408 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+ -155:sc= 1.23 (180deg=0.466) USER MOD Single : B 8 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.17) USER MOD Single : B 10 MET CE :methyl -172:sc= 0 (180deg=-0.0271) USER MOD Single : B 11 SER OG : rot -37:sc= 0.735 USER MOD Single : B 13 SER OG : rot 38:sc= 0.178 USER MOD Single : B 14 SER OG : rot 180:sc= -0.152 USER MOD Single : B 18 TYR OH : rot -36:sc= 1.25 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 0.00082 X(o=0.00082,f=-0.27) USER MOD Single : B 25 ASN : amide:sc= 0.434 K(o=0.43,f=-0.1) USER MOD Single : B 27 SER OG : rot 35:sc= 0.54 USER MOD Single : B 28 GLN : amide:sc= -0.626 K(o=-0.63,f=0) USER MOD Single : B 33 SER OG : rot -45:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 5 -43.823 -0.031 51.997 1.00 0.00 N ATOM 69 CA VAL A 5 -43.936 0.426 50.567 1.00 0.00 C ATOM 70 C VAL A 5 -45.373 0.186 49.965 1.00 0.00 C ATOM 71 O VAL A 5 -45.776 -0.939 49.669 1.00 0.00 O ATOM 72 CB VAL A 5 -42.787 -0.083 49.623 1.00 0.00 C ATOM 73 CG1 VAL A 5 -42.666 0.665 48.275 1.00 0.00 C ATOM 74 CG2 VAL A 5 -41.353 -0.080 50.215 1.00 0.00 C ATOM 0 HA VAL A 5 -43.790 1.505 50.612 1.00 0.00 H new ATOM 0 HB VAL A 5 -43.131 -1.108 49.483 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -41.846 0.241 47.696 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -43.596 0.561 47.716 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -42.471 1.721 48.461 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -40.651 -0.452 49.469 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -41.078 0.936 50.497 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -41.321 -0.722 51.095 1.00 0.00 H new ATOM 84 N ARG A 6 -46.158 1.245 49.798 1.00 0.00 N ATOM 85 CA ARG A 6 -47.623 1.165 49.509 1.00 0.00 C ATOM 86 C ARG A 6 -48.023 1.311 47.995 1.00 0.00 C ATOM 87 O ARG A 6 -47.248 1.777 47.156 1.00 0.00 O ATOM 88 CB ARG A 6 -48.322 2.193 50.460 1.00 0.00 C ATOM 89 CG ARG A 6 -49.568 1.682 51.233 1.00 0.00 C ATOM 90 CD ARG A 6 -49.278 0.645 52.349 1.00 0.00 C ATOM 91 NE ARG A 6 -49.466 -0.740 51.827 1.00 0.00 N ATOM 92 CZ ARG A 6 -50.257 -1.659 52.355 1.00 0.00 C ATOM 93 NH1 ARG A 6 -50.567 -1.727 53.617 1.00 0.00 N ATOM 94 NH2 ARG A 6 -50.737 -2.546 51.552 1.00 0.00 N ATOM 0 H ARG A 6 -45.811 2.202 49.856 1.00 0.00 H new ATOM 0 HA ARG A 6 -47.974 0.153 49.713 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -47.588 2.540 51.187 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -48.619 3.059 49.868 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -50.075 2.538 51.678 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -50.261 1.238 50.519 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -48.258 0.769 52.714 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -49.943 0.816 53.196 1.00 0.00 H new ATOM 0 HE ARG A 6 -48.940 -1.000 50.993 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -50.192 -1.041 54.272 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -51.185 -2.467 53.951 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -50.501 -2.517 50.560 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -51.352 -3.277 51.909 1.00 0.00 H new ATOM 125 N PRO A 8 -50.708 3.171 45.502 1.00 0.00 N ATOM 126 CA PRO A 8 -51.780 4.212 45.423 1.00 0.00 C ATOM 127 C PRO A 8 -52.903 4.066 44.313 1.00 0.00 C ATOM 128 O PRO A 8 -53.988 3.615 44.706 1.00 0.00 O ATOM 129 CB PRO A 8 -50.986 5.535 45.518 1.00 0.00 C ATOM 130 CG PRO A 8 -49.544 5.229 45.108 1.00 0.00 C ATOM 131 CD PRO A 8 -49.351 3.739 45.378 1.00 0.00 C ATOM 0 HA PRO A 8 -52.502 4.118 46.234 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -51.419 6.291 44.864 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -51.021 5.933 46.532 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -49.377 5.462 44.056 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -48.837 5.827 45.683 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -48.801 3.263 44.566 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -48.776 3.579 46.290 1.00 0.00 H new ATOM 139 N PRO A 9 -52.797 4.401 42.983 1.00 0.00 N ATOM 140 CA PRO A 9 -53.929 4.266 42.014 1.00 0.00 C ATOM 141 C PRO A 9 -54.383 2.795 41.721 1.00 0.00 C ATOM 142 O PRO A 9 -53.591 1.848 41.719 1.00 0.00 O ATOM 143 CB PRO A 9 -53.398 5.013 40.776 1.00 0.00 C ATOM 144 CG PRO A 9 -51.880 4.874 40.863 1.00 0.00 C ATOM 145 CD PRO A 9 -51.584 4.962 42.359 1.00 0.00 C ATOM 0 HA PRO A 9 -54.857 4.682 42.406 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -53.784 4.577 39.854 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -53.701 6.060 40.785 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -51.542 3.926 40.445 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -51.375 5.665 40.309 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -50.694 4.392 42.626 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -51.410 5.991 42.674 1.00 0.00 H new ATOM 153 N LYS A 10 -55.697 2.580 41.565 1.00 0.00 N ATOM 154 CA LYS A 10 -56.304 1.235 41.774 1.00 0.00 C ATOM 155 C LYS A 10 -56.675 0.431 40.483 1.00 0.00 C ATOM 156 O LYS A 10 -57.800 0.473 39.984 1.00 0.00 O ATOM 157 CB LYS A 10 -57.467 1.355 42.802 1.00 0.00 C ATOM 158 CG LYS A 10 -57.064 1.540 44.294 1.00 0.00 C ATOM 159 CD LYS A 10 -56.326 0.325 44.917 1.00 0.00 C ATOM 160 CE LYS A 10 -54.789 0.453 44.925 1.00 0.00 C ATOM 161 NZ LYS A 10 -54.137 -0.885 45.111 1.00 0.00 N ATOM 0 H LYS A 10 -56.363 3.305 41.298 1.00 0.00 H new ATOM 0 HA LYS A 10 -55.520 0.601 42.188 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -58.093 2.199 42.511 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -58.084 0.460 42.724 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -56.425 2.419 44.378 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -57.962 1.742 44.878 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -56.673 0.190 45.941 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -56.601 -0.574 44.366 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -54.453 0.898 43.988 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -54.481 1.126 45.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -53.103 -0.770 45.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -54.441 -1.297 46.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -54.414 -1.517 44.333 1.00 0.00 H new ATOM 213 N LYS B 1 -32.746 10.060 31.499 1.00 0.00 N ATOM 214 CA LYS B 1 -32.555 9.799 32.959 1.00 0.00 C ATOM 215 C LYS B 1 -33.817 10.242 33.780 1.00 0.00 C ATOM 216 O LYS B 1 -34.331 11.343 33.577 1.00 0.00 O ATOM 217 CB LYS B 1 -31.222 10.485 33.401 1.00 0.00 C ATOM 218 CG LYS B 1 -30.853 10.569 34.913 1.00 0.00 C ATOM 219 CD LYS B 1 -30.704 9.231 35.687 1.00 0.00 C ATOM 220 CE LYS B 1 -30.241 9.383 37.161 1.00 0.00 C ATOM 221 NZ LYS B 1 -31.358 9.763 38.083 1.00 0.00 N ATOM 0 H1 LYS B 1 -31.898 9.758 30.979 1.00 0.00 H new ATOM 0 H2 LYS B 1 -33.570 9.527 31.156 1.00 0.00 H new ATOM 0 H3 LYS B 1 -32.903 11.077 31.346 1.00 0.00 H new ATOM 0 HA LYS B 1 -32.461 8.732 33.162 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -30.407 9.965 32.897 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -31.238 11.504 33.014 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -29.914 11.115 35.001 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -31.616 11.165 35.414 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -31.661 8.710 35.673 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -29.990 8.599 35.159 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -29.801 8.444 37.498 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -29.458 10.139 37.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -30.970 10.252 38.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -32.018 10.395 37.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -31.863 8.906 38.388 1.00 0.00 H new ATOM 237 N LEU B 2 -34.288 9.408 34.723 1.00 0.00 N ATOM 238 CA LEU B 2 -35.263 9.835 35.776 1.00 0.00 C ATOM 239 C LEU B 2 -34.693 10.847 36.860 1.00 0.00 C ATOM 240 O LEU B 2 -33.477 11.078 36.876 1.00 0.00 O ATOM 241 CB LEU B 2 -35.799 8.512 36.409 1.00 0.00 C ATOM 242 CG LEU B 2 -34.797 7.765 37.336 1.00 0.00 C ATOM 243 CD1 LEU B 2 -35.094 8.089 38.800 1.00 0.00 C ATOM 244 CD2 LEU B 2 -34.833 6.245 37.127 1.00 0.00 C ATOM 0 H LEU B 2 -34.016 8.427 34.789 1.00 0.00 H new ATOM 0 HA LEU B 2 -36.057 10.425 35.318 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -36.698 8.741 36.982 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -36.096 7.838 35.605 1.00 0.00 H new ATOM 0 HG LEU B 2 -33.797 8.111 37.074 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -34.387 7.561 39.440 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -34.998 9.163 38.962 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -36.109 7.775 39.044 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -34.117 5.769 37.796 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -35.834 5.872 37.342 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -34.574 6.014 36.094 1.00 0.00 H new ATOM 256 N PRO B 3 -35.472 11.418 37.821 1.00 0.00 N ATOM 257 CA PRO B 3 -34.952 12.455 38.753 1.00 0.00 C ATOM 258 C PRO B 3 -33.954 12.093 39.935 1.00 0.00 C ATOM 259 O PRO B 3 -33.874 10.935 40.384 1.00 0.00 O ATOM 260 CB PRO B 3 -36.251 13.172 39.175 1.00 0.00 C ATOM 261 CG PRO B 3 -37.346 12.748 38.213 1.00 0.00 C ATOM 262 CD PRO B 3 -36.945 11.336 37.831 1.00 0.00 C ATOM 0 HA PRO B 3 -34.208 13.062 38.237 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -36.518 12.909 40.198 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -36.117 14.253 39.149 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -38.328 12.774 38.685 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -37.393 13.403 37.343 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -37.306 10.602 38.551 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -37.343 11.050 36.857 1.00 0.00 H new ATOM 270 N PRO B 4 -33.142 13.063 40.462 1.00 0.00 N ATOM 271 CA PRO B 4 -32.207 12.819 41.593 1.00 0.00 C ATOM 272 C PRO B 4 -32.936 12.641 42.965 1.00 0.00 C ATOM 273 O PRO B 4 -33.884 13.361 43.293 1.00 0.00 O ATOM 274 CB PRO B 4 -31.304 14.064 41.513 1.00 0.00 C ATOM 275 CG PRO B 4 -32.214 15.189 41.017 1.00 0.00 C ATOM 276 CD PRO B 4 -33.240 14.499 40.116 1.00 0.00 C ATOM 0 HA PRO B 4 -31.653 11.883 41.522 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -30.877 14.304 42.487 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -30.470 13.902 40.830 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -32.699 15.700 41.849 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -31.648 15.941 40.467 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -34.245 14.881 40.296 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -33.018 14.668 39.062 1.00 0.00 H new ATOM 284 N GLY B 5 -32.519 11.630 43.733 1.00 0.00 N ATOM 285 CA GLY B 5 -33.318 11.153 44.897 1.00 0.00 C ATOM 286 C GLY B 5 -34.493 10.182 44.646 1.00 0.00 C ATOM 287 O GLY B 5 -35.402 10.146 45.478 1.00 0.00 O ATOM 0 H GLY B 5 -31.647 11.123 43.584 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -32.632 10.668 45.592 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -33.718 12.031 45.405 1.00 0.00 H new ATOM 291 N TRP B 6 -34.469 9.360 43.587 1.00 0.00 N ATOM 292 CA TRP B 6 -35.445 8.275 43.386 1.00 0.00 C ATOM 293 C TRP B 6 -34.846 6.853 43.521 1.00 0.00 C ATOM 294 O TRP B 6 -33.646 6.640 43.314 1.00 0.00 O ATOM 295 CB TRP B 6 -35.858 8.521 41.917 1.00 0.00 C ATOM 296 CG TRP B 6 -37.078 9.399 41.776 1.00 0.00 C ATOM 297 CD1 TRP B 6 -37.048 10.783 41.583 1.00 0.00 C ATOM 298 CD2 TRP B 6 -38.395 9.046 41.878 1.00 0.00 C ATOM 299 NE1 TRP B 6 -38.337 11.335 41.588 1.00 0.00 N ATOM 300 CE2 TRP B 6 -39.153 10.241 41.785 1.00 0.00 C ATOM 301 CE3 TRP B 6 -39.036 7.776 41.960 1.00 0.00 C ATOM 302 CZ2 TRP B 6 -40.552 10.180 41.714 1.00 0.00 C ATOM 303 CZ3 TRP B 6 -40.429 7.777 42.005 1.00 0.00 C ATOM 304 CH2 TRP B 6 -41.180 8.947 41.863 1.00 0.00 C ATOM 0 H TRP B 6 -33.773 9.427 42.845 1.00 0.00 H new ATOM 0 HA TRP B 6 -36.243 8.298 44.128 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -35.025 8.981 41.385 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -36.052 7.562 41.436 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -36.143 11.357 41.447 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -38.607 12.312 41.473 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -38.470 6.857 41.986 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -41.133 11.075 41.546 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -40.946 6.841 42.155 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -42.259 8.894 41.869 1.00 0.00 H new ATOM 315 N GLU B 7 -35.726 5.848 43.711 1.00 0.00 N ATOM 316 CA GLU B 7 -35.453 4.491 43.223 1.00 0.00 C ATOM 317 C GLU B 7 -36.754 3.748 42.754 1.00 0.00 C ATOM 318 O GLU B 7 -37.721 4.351 42.280 1.00 0.00 O ATOM 319 CB GLU B 7 -34.555 3.801 44.315 1.00 0.00 C ATOM 320 CG GLU B 7 -33.612 2.659 43.851 1.00 0.00 C ATOM 321 CD GLU B 7 -33.932 1.289 44.398 1.00 0.00 C ATOM 322 OE1 GLU B 7 -33.817 1.073 45.621 1.00 0.00 O ATOM 323 OE2 GLU B 7 -34.326 0.416 43.606 1.00 0.00 O ATOM 0 H GLU B 7 -36.619 5.953 44.193 1.00 0.00 H new ATOM 0 HA GLU B 7 -34.886 4.475 42.293 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -33.944 4.572 44.784 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.212 3.401 45.087 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -33.636 2.611 42.762 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -32.592 2.916 44.136 1.00 0.00 H new ATOM 330 N LYS B 8 -36.725 2.416 42.783 1.00 0.00 N ATOM 331 CA LYS B 8 -37.645 1.533 42.006 1.00 0.00 C ATOM 332 C LYS B 8 -38.016 0.243 42.807 1.00 0.00 C ATOM 333 O LYS B 8 -37.127 -0.503 43.236 1.00 0.00 O ATOM 334 CB LYS B 8 -37.097 1.316 40.559 1.00 0.00 C ATOM 335 CG LYS B 8 -35.728 0.616 40.375 1.00 0.00 C ATOM 336 CD LYS B 8 -35.830 -0.925 40.278 1.00 0.00 C ATOM 337 CE LYS B 8 -34.475 -1.643 40.466 1.00 0.00 C ATOM 338 NZ LYS B 8 -34.178 -1.652 41.939 1.00 0.00 N ATOM 0 H LYS B 8 -36.057 1.895 43.351 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.607 2.025 41.865 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -37.839 0.738 40.009 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -37.035 2.293 40.080 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -35.252 0.998 39.472 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.080 0.877 41.212 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.530 -1.283 41.032 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -36.243 -1.194 39.306 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.521 -2.660 40.077 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.687 -1.127 39.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.313 -2.202 42.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -34.041 -0.676 42.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.974 -2.084 42.451 1.00 0.00 H new ATOM 352 N ARG B 9 -39.314 -0.008 43.095 1.00 0.00 N ATOM 353 CA ARG B 9 -39.702 -0.950 44.199 1.00 0.00 C ATOM 354 C ARG B 9 -40.849 -1.901 43.814 1.00 0.00 C ATOM 355 O ARG B 9 -41.961 -1.464 43.548 1.00 0.00 O ATOM 356 CB ARG B 9 -40.015 -0.227 45.535 1.00 0.00 C ATOM 357 CG ARG B 9 -38.808 0.561 46.068 1.00 0.00 C ATOM 358 CD ARG B 9 -38.715 0.709 47.603 1.00 0.00 C ATOM 359 NE ARG B 9 -37.600 1.616 48.025 1.00 0.00 N ATOM 360 CZ ARG B 9 -36.317 1.443 47.671 1.00 0.00 C ATOM 361 NH1 ARG B 9 -35.820 0.306 47.280 1.00 0.00 N ATOM 362 NH2 ARG B 9 -35.511 2.447 47.660 1.00 0.00 N ATOM 0 H ARG B 9 -40.101 0.411 42.599 1.00 0.00 H new ATOM 0 HA ARG B 9 -38.814 -1.562 44.358 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -40.855 0.453 45.390 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -40.324 -0.961 46.279 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -37.898 0.075 45.715 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.828 1.558 45.628 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -39.659 1.097 47.985 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -38.569 -0.274 48.051 1.00 0.00 H new ATOM 0 HE ARG B 9 -37.830 2.414 48.618 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -36.416 -0.520 47.229 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -34.835 0.241 47.024 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -35.848 3.374 47.920 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -34.536 2.315 47.391 1.00 0.00 H new ATOM 376 N MET B 10 -40.549 -3.196 43.778 1.00 0.00 N ATOM 377 CA MET B 10 -41.356 -4.170 42.989 1.00 0.00 C ATOM 378 C MET B 10 -42.221 -5.151 43.828 1.00 0.00 C ATOM 379 O MET B 10 -41.748 -6.154 44.373 1.00 0.00 O ATOM 380 CB MET B 10 -40.458 -4.895 41.958 1.00 0.00 C ATOM 381 CG MET B 10 -39.938 -3.961 40.845 1.00 0.00 C ATOM 382 SD MET B 10 -39.611 -4.888 39.338 1.00 0.00 S ATOM 383 CE MET B 10 -41.279 -4.838 38.655 1.00 0.00 C ATOM 0 H MET B 10 -39.762 -3.610 44.277 1.00 0.00 H new ATOM 0 HA MET B 10 -42.102 -3.580 42.457 1.00 0.00 H new ATOM 0 HB2 MET B 10 -39.609 -5.342 42.475 1.00 0.00 H new ATOM 0 HB3 MET B 10 -41.021 -5.711 41.505 1.00 0.00 H new ATOM 0 HG2 MET B 10 -40.672 -3.181 40.646 1.00 0.00 H new ATOM 0 HG3 MET B 10 -39.027 -3.464 41.177 1.00 0.00 H new ATOM 0 HE1 MET B 10 -41.332 -5.483 37.778 1.00 0.00 H new ATOM 0 HE2 MET B 10 -41.990 -5.186 39.405 1.00 0.00 H new ATOM 0 HE3 MET B 10 -41.525 -3.815 38.369 1.00 0.00 H new ATOM 393 N SER B 11 -43.540 -4.905 43.806 1.00 0.00 N ATOM 394 CA SER B 11 -44.571 -5.899 44.249 1.00 0.00 C ATOM 395 C SER B 11 -44.585 -6.289 45.779 1.00 0.00 C ATOM 396 O SER B 11 -44.076 -5.570 46.642 1.00 0.00 O ATOM 397 CB SER B 11 -44.610 -7.095 43.238 1.00 0.00 C ATOM 398 OG SER B 11 -43.652 -8.099 43.570 1.00 0.00 O ATOM 0 H SER B 11 -43.936 -4.021 43.485 1.00 0.00 H new ATOM 0 HA SER B 11 -45.533 -5.388 44.208 1.00 0.00 H new ATOM 0 HB2 SER B 11 -45.608 -7.533 43.231 1.00 0.00 H new ATOM 0 HB3 SER B 11 -44.416 -6.726 42.231 1.00 0.00 H new ATOM 0 HG SER B 11 -42.839 -7.674 43.914 1.00 0.00 H new ATOM 404 N ARG B 12 -45.247 -7.409 46.127 1.00 0.00 N ATOM 405 CA ARG B 12 -45.098 -8.092 47.446 1.00 0.00 C ATOM 406 C ARG B 12 -44.703 -9.581 47.145 1.00 0.00 C ATOM 407 O ARG B 12 -43.526 -9.933 47.205 1.00 0.00 O ATOM 408 CB ARG B 12 -46.379 -7.864 48.314 1.00 0.00 C ATOM 409 CG ARG B 12 -46.800 -6.379 48.421 1.00 0.00 C ATOM 410 CD ARG B 12 -47.961 -6.058 49.372 1.00 0.00 C ATOM 411 NE ARG B 12 -48.428 -4.654 49.144 1.00 0.00 N ATOM 412 CZ ARG B 12 -47.657 -3.594 49.293 1.00 0.00 C ATOM 413 NH1 ARG B 12 -46.928 -3.406 50.334 1.00 0.00 N ATOM 414 NH2 ARG B 12 -47.660 -2.701 48.373 1.00 0.00 N ATOM 0 H ARG B 12 -45.906 -7.876 45.504 1.00 0.00 H new ATOM 0 HA ARG B 12 -44.302 -7.680 48.067 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -47.203 -8.436 47.888 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -46.203 -8.256 49.316 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -45.932 -5.801 48.737 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -47.070 -6.029 47.425 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -48.782 -6.756 49.207 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -47.641 -6.181 50.407 1.00 0.00 H new ATOM 0 HE ARG B 12 -49.396 -4.509 48.858 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -46.930 -4.092 51.089 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -46.347 -2.571 50.406 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -48.250 -2.819 47.549 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -47.073 -1.872 48.465 1.00 0.00 H new ATOM 428 N SER B 13 -45.655 -10.420 46.701 1.00 0.00 N ATOM 429 CA SER B 13 -45.372 -11.506 45.713 1.00 0.00 C ATOM 430 C SER B 13 -46.580 -11.543 44.718 1.00 0.00 C ATOM 431 O SER B 13 -47.612 -12.163 44.992 1.00 0.00 O ATOM 432 CB SER B 13 -45.064 -12.843 46.434 1.00 0.00 C ATOM 433 OG SER B 13 -46.132 -13.280 47.277 1.00 0.00 O ATOM 0 H SER B 13 -46.628 -10.377 47.003 1.00 0.00 H new ATOM 0 HA SER B 13 -44.469 -11.317 45.132 1.00 0.00 H new ATOM 0 HB2 SER B 13 -44.858 -13.612 45.690 1.00 0.00 H new ATOM 0 HB3 SER B 13 -44.160 -12.727 47.032 1.00 0.00 H new ATOM 0 HG SER B 13 -46.990 -13.078 46.849 1.00 0.00 H new ATOM 439 N SER B 14 -46.559 -10.712 43.649 1.00 0.00 N ATOM 440 CA SER B 14 -47.823 -10.326 42.926 1.00 0.00 C ATOM 441 C SER B 14 -47.742 -9.870 41.427 1.00 0.00 C ATOM 442 O SER B 14 -48.760 -9.964 40.731 1.00 0.00 O ATOM 443 CB SER B 14 -48.584 -9.242 43.747 1.00 0.00 C ATOM 444 OG SER B 14 -48.844 -9.644 45.095 1.00 0.00 O ATOM 0 H SER B 14 -45.710 -10.298 43.265 1.00 0.00 H new ATOM 0 HA SER B 14 -48.348 -11.279 42.859 1.00 0.00 H new ATOM 0 HB2 SER B 14 -47.999 -8.322 43.754 1.00 0.00 H new ATOM 0 HB3 SER B 14 -49.529 -9.016 43.252 1.00 0.00 H new ATOM 0 HG SER B 14 -49.321 -8.928 45.564 1.00 0.00 H new ATOM 450 N GLY B 15 -46.630 -9.293 40.932 1.00 0.00 N ATOM 451 CA GLY B 15 -46.586 -8.652 39.578 1.00 0.00 C ATOM 452 C GLY B 15 -47.126 -7.203 39.505 1.00 0.00 C ATOM 453 O GLY B 15 -47.917 -6.869 38.623 1.00 0.00 O ATOM 0 H GLY B 15 -45.746 -9.251 41.438 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -45.554 -8.654 39.229 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -47.158 -9.269 38.885 1.00 0.00 H new ATOM 457 N ARG B 16 -46.742 -6.369 40.478 1.00 0.00 N ATOM 458 CA ARG B 16 -47.124 -4.937 40.557 1.00 0.00 C ATOM 459 C ARG B 16 -45.907 -4.051 40.975 1.00 0.00 C ATOM 460 O ARG B 16 -44.855 -4.552 41.358 1.00 0.00 O ATOM 461 CB ARG B 16 -48.357 -4.760 41.502 1.00 0.00 C ATOM 462 CG ARG B 16 -49.751 -5.216 41.004 1.00 0.00 C ATOM 463 CD ARG B 16 -50.102 -6.679 41.317 1.00 0.00 C ATOM 464 NE ARG B 16 -51.555 -6.862 41.064 1.00 0.00 N ATOM 465 CZ ARG B 16 -52.142 -7.903 40.504 1.00 0.00 C ATOM 466 NH1 ARG B 16 -51.509 -8.954 40.068 1.00 0.00 N ATOM 467 NH2 ARG B 16 -53.425 -7.867 40.391 1.00 0.00 N ATOM 0 H ARG B 16 -46.146 -6.666 41.251 1.00 0.00 H new ATOM 0 HA ARG B 16 -47.424 -4.593 39.567 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -48.144 -5.298 42.426 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -48.428 -3.703 41.758 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -50.509 -4.572 41.450 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -49.802 -5.068 39.925 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -49.517 -7.354 40.692 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -49.862 -6.916 42.353 1.00 0.00 H new ATOM 0 HE ARG B 16 -52.166 -6.099 41.355 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -50.494 -9.008 40.149 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -52.028 -9.723 39.645 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -53.944 -7.056 40.728 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -53.922 -8.649 39.965 1.00 0.00 H new ATOM 481 N VAL B 17 -46.060 -2.722 40.939 1.00 0.00 N ATOM 482 CA VAL B 17 -45.166 -1.775 41.682 1.00 0.00 C ATOM 483 C VAL B 17 -43.706 -1.631 41.095 1.00 0.00 C ATOM 484 O VAL B 17 -43.142 -2.581 40.550 1.00 0.00 O ATOM 485 CB VAL B 17 -45.389 -1.792 43.240 1.00 0.00 C ATOM 486 CG1 VAL B 17 -44.927 -0.507 43.978 1.00 0.00 C ATOM 487 CG2 VAL B 17 -46.844 -1.988 43.739 1.00 0.00 C ATOM 0 H VAL B 17 -46.795 -2.259 40.404 1.00 0.00 H new ATOM 0 HA VAL B 17 -45.507 -0.764 41.457 1.00 0.00 H new ATOM 0 HB VAL B 17 -44.778 -2.664 43.476 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -45.120 -0.611 45.046 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -43.860 -0.358 43.815 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -45.476 0.352 43.592 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -46.859 -1.980 44.829 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -47.470 -1.179 43.362 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -47.227 -2.942 43.377 1.00 0.00 H new ATOM 497 N TYR B 18 -43.122 -0.411 41.089 1.00 0.00 N ATOM 498 CA TYR B 18 -41.835 -0.102 40.418 1.00 0.00 C ATOM 499 C TYR B 18 -41.212 1.312 40.724 1.00 0.00 C ATOM 500 O TYR B 18 -40.181 1.617 40.130 1.00 0.00 O ATOM 501 CB TYR B 18 -41.834 -0.458 38.896 1.00 0.00 C ATOM 502 CG TYR B 18 -43.066 -0.016 38.091 1.00 0.00 C ATOM 503 CD1 TYR B 18 -43.308 1.345 37.925 1.00 0.00 C ATOM 504 CD2 TYR B 18 -44.089 -0.935 37.840 1.00 0.00 C ATOM 505 CE1 TYR B 18 -44.581 1.794 37.599 1.00 0.00 C ATOM 506 CE2 TYR B 18 -45.365 -0.486 37.520 1.00 0.00 C ATOM 507 CZ TYR B 18 -45.614 0.879 37.397 1.00 0.00 C ATOM 508 OH TYR B 18 -46.900 1.315 37.222 1.00 0.00 O ATOM 0 H TYR B 18 -43.535 0.397 41.555 1.00 0.00 H new ATOM 0 HA TYR B 18 -41.138 -0.785 40.902 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -40.950 -0.011 38.441 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -41.731 -1.539 38.798 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.503 2.054 38.050 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.888 -1.995 37.895 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -44.771 2.853 37.502 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -46.164 -1.196 37.367 1.00 0.00 H new ATOM 0 HH TYR B 18 -47.058 2.102 37.784 1.00 0.00 H new ATOM 518 N TYR B 19 -41.675 2.129 41.693 1.00 0.00 N ATOM 519 CA TYR B 19 -41.132 3.511 41.932 1.00 0.00 C ATOM 520 C TYR B 19 -41.199 3.962 43.436 1.00 0.00 C ATOM 521 O TYR B 19 -42.097 3.615 44.209 1.00 0.00 O ATOM 522 CB TYR B 19 -41.761 4.528 40.925 1.00 0.00 C ATOM 523 CG TYR B 19 -41.035 4.768 39.582 1.00 0.00 C ATOM 524 CD1 TYR B 19 -39.692 5.160 39.540 1.00 0.00 C ATOM 525 CD2 TYR B 19 -41.721 4.589 38.378 1.00 0.00 C ATOM 526 CE1 TYR B 19 -39.039 5.331 38.323 1.00 0.00 C ATOM 527 CE2 TYR B 19 -41.066 4.743 37.158 1.00 0.00 C ATOM 528 CZ TYR B 19 -39.726 5.116 37.133 1.00 0.00 C ATOM 529 OH TYR B 19 -39.071 5.248 35.939 1.00 0.00 O ATOM 0 H TYR B 19 -42.426 1.867 42.332 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.062 3.486 41.728 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -42.774 4.192 40.701 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -41.849 5.489 41.433 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -39.157 5.332 40.462 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -42.769 4.329 38.393 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -38.001 5.630 38.303 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -41.598 4.573 36.233 1.00 0.00 H new ATOM 0 HH TYR B 19 -39.692 5.063 35.203 1.00 0.00 H new ATOM 539 N PHE B 20 -40.192 4.739 43.856 1.00 0.00 N ATOM 540 CA PHE B 20 -40.096 5.324 45.227 1.00 0.00 C ATOM 541 C PHE B 20 -39.288 6.668 45.213 1.00 0.00 C ATOM 542 O PHE B 20 -38.139 6.685 44.774 1.00 0.00 O ATOM 543 CB PHE B 20 -39.456 4.263 46.177 1.00 0.00 C ATOM 544 CG PHE B 20 -39.310 4.688 47.651 1.00 0.00 C ATOM 545 CD1 PHE B 20 -40.361 4.517 48.536 1.00 0.00 C ATOM 546 CD2 PHE B 20 -38.160 5.333 48.081 1.00 0.00 C ATOM 547 CE1 PHE B 20 -40.287 5.022 49.830 1.00 0.00 C ATOM 548 CE2 PHE B 20 -38.070 5.829 49.377 1.00 0.00 C ATOM 549 CZ PHE B 20 -39.125 5.676 50.313 1.00 0.00 C ATOM 0 H PHE B 20 -39.405 4.990 43.257 1.00 0.00 H new ATOM 0 HA PHE B 20 -41.092 5.572 45.595 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -40.059 3.356 46.138 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -38.469 4.006 45.792 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -41.247 3.987 48.219 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -37.327 5.451 47.404 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -41.138 4.913 50.485 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -37.171 6.346 49.680 1.00 0.00 H new ATOM 0 HZ PHE B 20 -39.048 6.035 51.329 1.00 0.00 H new ATOM 559 N ASN B 21 -39.820 7.774 45.756 1.00 0.00 N ATOM 560 CA ASN B 21 -39.032 9.030 45.959 1.00 0.00 C ATOM 561 C ASN B 21 -38.435 9.092 47.412 1.00 0.00 C ATOM 562 O ASN B 21 -39.177 8.990 48.392 1.00 0.00 O ATOM 563 CB ASN B 21 -39.959 10.242 45.644 1.00 0.00 C ATOM 564 CG ASN B 21 -39.352 11.597 45.247 1.00 0.00 C ATOM 565 OD1 ASN B 21 -39.995 12.412 44.599 1.00 0.00 O ATOM 566 ND2 ASN B 21 -38.151 11.934 45.639 1.00 0.00 N ATOM 0 H ASN B 21 -40.790 7.838 46.066 1.00 0.00 H new ATOM 0 HA ASN B 21 -38.177 9.055 45.283 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -40.626 9.938 44.837 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -40.580 10.411 46.524 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -37.777 12.853 45.403 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -37.589 11.278 46.181 1.00 0.00 H new ATOM 573 N HIS B 22 -37.113 9.299 47.564 1.00 0.00 N ATOM 574 CA HIS B 22 -36.454 9.433 48.904 1.00 0.00 C ATOM 575 C HIS B 22 -36.610 10.836 49.585 1.00 0.00 C ATOM 576 O HIS B 22 -36.895 10.908 50.780 1.00 0.00 O ATOM 577 CB HIS B 22 -34.951 9.053 48.758 1.00 0.00 C ATOM 578 CG HIS B 22 -34.654 7.563 48.642 1.00 0.00 C ATOM 579 ND1 HIS B 22 -34.246 6.795 49.710 1.00 0.00 N ATOM 580 CD2 HIS B 22 -34.734 6.771 47.484 1.00 0.00 C ATOM 581 CE1 HIS B 22 -34.098 5.584 49.095 1.00 0.00 C ATOM 582 NE2 HIS B 22 -34.395 5.454 47.764 1.00 0.00 N ATOM 0 H HIS B 22 -36.467 9.379 46.779 1.00 0.00 H new ATOM 0 HA HIS B 22 -36.972 8.750 49.577 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -34.553 9.554 47.876 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -34.411 9.446 49.619 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -34.097 7.056 50.685 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -35.020 7.137 46.509 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -33.748 4.731 49.657 1.00 0.00 H new ATOM 590 N ILE B 23 -36.400 11.935 48.841 1.00 0.00 N ATOM 591 CA ILE B 23 -36.454 13.341 49.372 1.00 0.00 C ATOM 592 C ILE B 23 -37.899 13.771 49.826 1.00 0.00 C ATOM 593 O ILE B 23 -38.096 14.210 50.959 1.00 0.00 O ATOM 594 CB ILE B 23 -35.815 14.378 48.362 1.00 0.00 C ATOM 595 CG1 ILE B 23 -34.593 13.863 47.539 1.00 0.00 C ATOM 596 CG2 ILE B 23 -35.445 15.690 49.105 1.00 0.00 C ATOM 597 CD1 ILE B 23 -34.074 14.786 46.424 1.00 0.00 C ATOM 0 H ILE B 23 -36.185 11.891 47.845 1.00 0.00 H new ATOM 0 HA ILE B 23 -35.841 13.349 50.273 1.00 0.00 H new ATOM 0 HB ILE B 23 -36.593 14.555 47.619 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -33.773 13.671 48.231 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -34.863 12.907 47.091 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -35.006 16.396 48.400 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -36.343 16.126 49.543 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -34.726 15.471 49.894 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -33.225 14.316 45.928 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -34.868 14.961 45.698 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -33.761 15.737 46.855 1.00 0.00 H new ATOM 609 N THR B 24 -38.901 13.596 48.950 1.00 0.00 N ATOM 610 CA THR B 24 -40.350 13.609 49.320 1.00 0.00 C ATOM 611 C THR B 24 -40.788 12.573 50.426 1.00 0.00 C ATOM 612 O THR B 24 -41.573 12.916 51.309 1.00 0.00 O ATOM 613 CB THR B 24 -41.132 13.383 47.982 1.00 0.00 C ATOM 614 OG1 THR B 24 -40.832 14.390 47.019 1.00 0.00 O ATOM 615 CG2 THR B 24 -42.658 13.364 48.101 1.00 0.00 C ATOM 0 H THR B 24 -38.741 13.439 47.955 1.00 0.00 H new ATOM 0 HA THR B 24 -40.576 14.565 49.793 1.00 0.00 H new ATOM 0 HB THR B 24 -40.793 12.392 47.679 1.00 0.00 H new ATOM 0 HG1 THR B 24 -40.546 13.968 46.182 1.00 0.00 H new ATOM 0 HG21 THR B 24 -43.098 13.201 47.117 1.00 0.00 H new ATOM 0 HG22 THR B 24 -42.961 12.560 48.771 1.00 0.00 H new ATOM 0 HG23 THR B 24 -43.004 14.318 48.500 1.00 0.00 H new ATOM 623 N ASN B 25 -40.344 11.307 50.308 1.00 0.00 N ATOM 624 CA ASN B 25 -40.902 10.123 51.026 1.00 0.00 C ATOM 625 C ASN B 25 -42.265 9.635 50.405 1.00 0.00 C ATOM 626 O ASN B 25 -43.334 9.732 51.009 1.00 0.00 O ATOM 627 CB ASN B 25 -40.671 10.148 52.575 1.00 0.00 C ATOM 628 CG ASN B 25 -41.847 10.348 53.532 1.00 0.00 C ATOM 629 OD1 ASN B 25 -42.331 9.418 54.164 1.00 0.00 O ATOM 630 ND2 ASN B 25 -42.331 11.546 53.703 1.00 0.00 N ATOM 0 H ASN B 25 -39.566 11.063 49.696 1.00 0.00 H new ATOM 0 HA ASN B 25 -40.294 9.241 50.825 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -40.194 9.206 52.844 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -39.951 10.940 52.780 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -43.101 11.697 54.355 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -41.940 12.333 53.185 1.00 0.00 H new ATOM 637 N ALA B 26 -42.213 9.136 49.154 1.00 0.00 N ATOM 638 CA ALA B 26 -43.403 8.636 48.424 1.00 0.00 C ATOM 639 C ALA B 26 -43.169 7.175 47.940 1.00 0.00 C ATOM 640 O ALA B 26 -42.223 6.898 47.199 1.00 0.00 O ATOM 641 CB ALA B 26 -43.675 9.597 47.249 1.00 0.00 C ATOM 0 H ALA B 26 -41.348 9.067 48.619 1.00 0.00 H new ATOM 0 HA ALA B 26 -44.276 8.611 49.077 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -44.547 9.254 46.692 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -43.862 10.599 47.634 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -42.808 9.618 46.588 1.00 0.00 H new ATOM 647 N SER B 27 -44.046 6.249 48.346 1.00 0.00 N ATOM 648 CA SER B 27 -44.109 4.884 47.749 1.00 0.00 C ATOM 649 C SER B 27 -45.256 4.786 46.710 1.00 0.00 C ATOM 650 O SER B 27 -46.410 5.113 47.010 1.00 0.00 O ATOM 651 CB SER B 27 -44.220 3.825 48.859 1.00 0.00 C ATOM 652 OG SER B 27 -45.250 4.081 49.816 1.00 0.00 O ATOM 0 H SER B 27 -44.729 6.408 49.087 1.00 0.00 H new ATOM 0 HA SER B 27 -43.185 4.687 47.206 1.00 0.00 H new ATOM 0 HB2 SER B 27 -44.400 2.853 48.400 1.00 0.00 H new ATOM 0 HB3 SER B 27 -43.265 3.760 49.380 1.00 0.00 H new ATOM 0 HG SER B 27 -46.017 4.496 49.368 1.00 0.00 H new ATOM 658 N GLN B 28 -44.905 4.443 45.459 1.00 0.00 N ATOM 659 CA GLN B 28 -45.823 4.638 44.308 1.00 0.00 C ATOM 660 C GLN B 28 -45.558 3.643 43.134 1.00 0.00 C ATOM 661 O GLN B 28 -44.571 2.900 43.082 1.00 0.00 O ATOM 662 CB GLN B 28 -45.857 6.153 43.927 1.00 0.00 C ATOM 663 CG GLN B 28 -44.677 6.713 43.093 1.00 0.00 C ATOM 664 CD GLN B 28 -44.590 8.239 43.100 1.00 0.00 C ATOM 665 OE1 GLN B 28 -43.908 8.844 43.920 1.00 0.00 O ATOM 666 NE2 GLN B 28 -45.259 8.917 42.203 1.00 0.00 N ATOM 0 H GLN B 28 -44.004 4.033 45.213 1.00 0.00 H new ATOM 0 HA GLN B 28 -46.839 4.371 44.600 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -46.777 6.339 43.373 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -45.919 6.730 44.850 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -43.744 6.303 43.479 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -44.775 6.368 42.064 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -45.830 8.427 41.515 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -45.209 9.936 42.192 1.00 0.00 H new ATOM 675 N TRP B 29 -46.466 3.651 42.159 1.00 0.00 N ATOM 676 CA TRP B 29 -46.240 2.989 40.844 1.00 0.00 C ATOM 677 C TRP B 29 -46.483 3.940 39.623 1.00 0.00 C ATOM 678 O TRP B 29 -47.123 3.579 38.630 1.00 0.00 O ATOM 679 CB TRP B 29 -46.909 1.588 40.853 1.00 0.00 C ATOM 680 CG TRP B 29 -48.430 1.375 40.927 1.00 0.00 C ATOM 681 CD1 TRP B 29 -49.346 2.107 41.704 1.00 0.00 C ATOM 682 CD2 TRP B 29 -49.142 0.274 40.474 1.00 0.00 C ATOM 683 NE1 TRP B 29 -50.614 1.495 41.750 1.00 0.00 N ATOM 684 CE2 TRP B 29 -50.462 0.361 40.982 1.00 0.00 C ATOM 685 CE3 TRP B 29 -48.746 -0.850 39.705 1.00 0.00 C ATOM 686 CZ2 TRP B 29 -51.386 -0.684 40.749 1.00 0.00 C ATOM 687 CZ3 TRP B 29 -49.677 -1.864 39.478 1.00 0.00 C ATOM 688 CH2 TRP B 29 -50.975 -1.787 39.999 1.00 0.00 C ATOM 0 H TRP B 29 -47.375 4.107 42.241 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.183 2.775 40.687 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -46.572 1.081 39.949 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -46.482 1.049 41.699 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -49.105 3.032 42.207 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -51.450 1.816 42.238 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -47.746 -0.919 39.304 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -52.390 -0.630 41.144 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -49.392 -2.724 38.890 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -51.669 -2.594 39.817 1.00 0.00 H new ATOM 699 N GLU B 30 -45.840 5.123 39.675 1.00 0.00 N ATOM 700 CA GLU B 30 -45.950 6.177 38.637 1.00 0.00 C ATOM 701 C GLU B 30 -44.545 6.768 38.304 1.00 0.00 C ATOM 702 O GLU B 30 -43.715 7.033 39.183 1.00 0.00 O ATOM 703 CB GLU B 30 -46.896 7.350 39.046 1.00 0.00 C ATOM 704 CG GLU B 30 -48.294 7.042 39.650 1.00 0.00 C ATOM 705 CD GLU B 30 -48.305 6.853 41.153 1.00 0.00 C ATOM 706 OE1 GLU B 30 -48.130 7.852 41.876 1.00 0.00 O ATOM 707 OE2 GLU B 30 -48.479 5.710 41.625 1.00 0.00 O ATOM 0 H GLU B 30 -45.222 5.380 40.445 1.00 0.00 H new ATOM 0 HA GLU B 30 -46.381 5.687 37.764 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -46.358 7.964 39.768 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.053 7.965 38.160 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -48.973 7.856 39.395 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -48.687 6.140 39.181 1.00 0.00 H new ATOM 714 N ARG B 31 -44.288 7.036 37.012 1.00 0.00 N ATOM 715 CA ARG B 31 -43.066 7.757 36.589 1.00 0.00 C ATOM 716 C ARG B 31 -43.193 9.320 36.746 1.00 0.00 C ATOM 717 O ARG B 31 -44.121 9.878 36.151 1.00 0.00 O ATOM 718 CB ARG B 31 -42.747 7.306 35.139 1.00 0.00 C ATOM 719 CG ARG B 31 -41.321 7.696 34.681 1.00 0.00 C ATOM 720 CD ARG B 31 -40.937 7.193 33.280 1.00 0.00 C ATOM 721 NE ARG B 31 -41.481 8.111 32.238 1.00 0.00 N ATOM 722 CZ ARG B 31 -40.916 9.244 31.820 1.00 0.00 C ATOM 723 NH1 ARG B 31 -39.737 9.649 32.195 1.00 0.00 N ATOM 724 NH2 ARG B 31 -41.581 10.002 31.009 1.00 0.00 N ATOM 0 H ARG B 31 -44.903 6.768 36.244 1.00 0.00 H new ATOM 0 HA ARG B 31 -42.232 7.502 37.243 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -42.862 6.224 35.068 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -43.474 7.749 34.459 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -41.232 8.782 34.699 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -40.603 7.306 35.402 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -39.852 7.132 33.192 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -41.326 6.186 33.127 1.00 0.00 H new ATOM 0 HE ARG B 31 -42.367 7.848 31.805 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -39.188 9.088 32.847 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -39.362 10.527 31.837 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -42.515 9.727 30.704 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -41.171 10.874 30.674 1.00 0.00 H new ATOM 738 N PRO B 32 -42.264 10.076 37.414 1.00 0.00 N ATOM 739 CA PRO B 32 -42.365 11.573 37.555 1.00 0.00 C ATOM 740 C PRO B 32 -42.360 12.491 36.268 1.00 0.00 C ATOM 741 O PRO B 32 -42.281 13.716 36.390 1.00 0.00 O ATOM 742 CB PRO B 32 -41.127 11.909 38.436 1.00 0.00 C ATOM 743 CG PRO B 32 -40.253 10.667 38.392 1.00 0.00 C ATOM 744 CD PRO B 32 -41.183 9.486 38.220 1.00 0.00 C ATOM 0 HA PRO B 32 -43.357 11.798 37.946 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -40.594 12.778 38.050 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -41.424 12.145 39.458 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -39.542 10.723 37.567 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -39.671 10.571 39.309 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -40.698 8.654 37.709 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -41.545 9.107 39.176 1.00 0.00 H new ATOM 752 N SER B 33 -42.398 11.920 35.050 1.00 0.00 N ATOM 753 CA SER B 33 -42.295 12.651 33.746 1.00 0.00 C ATOM 754 C SER B 33 -40.851 13.078 33.307 1.00 0.00 C ATOM 755 O SER B 33 -40.370 12.617 32.264 1.00 0.00 O ATOM 756 CB SER B 33 -43.381 13.738 33.510 1.00 0.00 C ATOM 757 OG SER B 33 -43.127 14.933 34.249 1.00 0.00 O ATOM 0 H SER B 33 -42.503 10.913 34.928 1.00 0.00 H new ATOM 0 HA SER B 33 -42.544 11.865 33.033 1.00 0.00 H new ATOM 0 HB2 SER B 33 -43.429 13.975 32.447 1.00 0.00 H new ATOM 0 HB3 SER B 33 -44.356 13.340 33.792 1.00 0.00 H new ATOM 0 HG SER B 33 -42.876 14.702 35.168 1.00 0.00 H new