USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 64 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.466 USER MOD Single : A 77 SER OG : rot 180:sc= 0.371 USER MOD Single : A 85 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.4!) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= 1.28 (180deg=0.628) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -169:sc= -0.0154 (180deg=-0.326) USER MOD Single : A 102 SER OG : rot 180:sc= 0.167 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0.325 USER MOD Single : A 112 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 218 N ALA A 61 -13.449 11.330 -8.727 1.00 0.00 N ATOM 219 CA ALA A 61 -12.701 10.528 -7.755 1.00 0.00 C ATOM 220 C ALA A 61 -13.582 9.978 -6.617 1.00 0.00 C ATOM 221 O ALA A 61 -14.417 10.700 -6.064 1.00 0.00 O ATOM 222 CB ALA A 61 -11.551 11.364 -7.192 1.00 0.00 C ATOM 0 HA ALA A 61 -12.310 9.656 -8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.991 10.772 -6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.889 11.666 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.952 12.251 -6.702 1.00 0.00 H new ATOM 228 N ALA A 62 -13.360 8.717 -6.236 1.00 0.00 N ATOM 229 CA ALA A 62 -14.120 8.004 -5.211 1.00 0.00 C ATOM 230 C ALA A 62 -13.376 7.798 -3.878 1.00 0.00 C ATOM 231 O ALA A 62 -12.148 7.733 -3.829 1.00 0.00 O ATOM 232 CB ALA A 62 -14.632 6.680 -5.796 1.00 0.00 C ATOM 0 H ALA A 62 -12.621 8.147 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.961 8.642 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.200 6.142 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.274 6.885 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.786 6.071 -6.115 1.00 0.00 H new ATOM 238 N LEU A 63 -14.151 7.667 -2.793 1.00 0.00 N ATOM 239 CA LEU A 63 -13.667 7.495 -1.418 1.00 0.00 C ATOM 240 C LEU A 63 -14.265 6.247 -0.747 1.00 0.00 C ATOM 241 O LEU A 63 -15.417 5.884 -0.996 1.00 0.00 O ATOM 242 CB LEU A 63 -14.010 8.740 -0.575 1.00 0.00 C ATOM 243 CG LEU A 63 -13.433 10.080 -1.068 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.912 11.212 -0.159 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.909 10.082 -1.057 1.00 0.00 C ATOM 0 H LEU A 63 -15.169 7.678 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.586 7.365 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.095 8.832 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.659 8.571 0.443 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.779 10.223 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.502 12.159 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.001 11.258 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.575 11.027 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.544 11.046 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.552 9.910 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.539 9.291 -1.710 1.00 0.00 H new ATOM 257 N HIS A 64 -13.503 5.638 0.163 1.00 0.00 N ATOM 258 CA HIS A 64 -14.011 4.659 1.134 1.00 0.00 C ATOM 259 C HIS A 64 -14.902 5.348 2.179 1.00 0.00 C ATOM 260 O HIS A 64 -14.592 6.455 2.627 1.00 0.00 O ATOM 261 CB HIS A 64 -12.830 3.964 1.823 1.00 0.00 C ATOM 262 CG HIS A 64 -12.051 3.010 0.955 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.531 1.796 0.459 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.731 3.137 0.622 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.487 1.221 -0.165 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.400 2.006 -0.091 1.00 0.00 N ATOM 0 H HIS A 64 -12.502 5.811 0.250 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.612 3.917 0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.149 4.728 2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.205 3.418 2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.078 3.961 0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.519 0.260 -0.658 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.486 1.800 -0.494 1.00 0.00 H new ATOM 274 N ALA A 65 -15.987 4.688 2.599 1.00 0.00 N ATOM 275 CA ALA A 65 -17.026 5.284 3.453 1.00 0.00 C ATOM 276 C ALA A 65 -17.043 4.779 4.915 1.00 0.00 C ATOM 277 O ALA A 65 -17.779 5.324 5.740 1.00 0.00 O ATOM 278 CB ALA A 65 -18.374 5.061 2.755 1.00 0.00 C ATOM 0 H ALA A 65 -16.172 3.715 2.354 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.804 6.346 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.172 5.491 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.361 5.542 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.547 3.992 2.632 1.00 0.00 H new ATOM 284 N GLU A 66 -16.260 3.745 5.251 1.00 0.00 N ATOM 285 CA GLU A 66 -16.280 3.081 6.568 1.00 0.00 C ATOM 286 C GLU A 66 -14.901 2.546 7.010 1.00 0.00 C ATOM 287 O GLU A 66 -13.990 2.374 6.196 1.00 0.00 O ATOM 288 CB GLU A 66 -17.345 1.965 6.576 1.00 0.00 C ATOM 289 CG GLU A 66 -17.059 0.822 5.594 1.00 0.00 C ATOM 290 CD GLU A 66 -18.173 -0.241 5.655 1.00 0.00 C ATOM 291 OE1 GLU A 66 -18.081 -1.177 6.487 1.00 0.00 O ATOM 292 OE2 GLU A 66 -19.149 -0.155 4.869 1.00 0.00 O ATOM 0 H GLU A 66 -15.582 3.337 4.607 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.545 3.840 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.419 1.555 7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.315 2.401 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.982 1.217 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.099 0.364 5.831 1.00 0.00 H new ATOM 299 N GLY A 67 -14.755 2.278 8.316 1.00 0.00 N ATOM 300 CA GLY A 67 -13.525 1.745 8.920 1.00 0.00 C ATOM 301 C GLY A 67 -12.342 2.734 8.933 1.00 0.00 C ATOM 302 O GLY A 67 -12.533 3.933 8.695 1.00 0.00 O ATOM 0 H GLY A 67 -15.502 2.428 8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.740 1.441 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.227 0.848 8.377 1.00 0.00 H new ATOM 306 N PRO A 68 -11.100 2.260 9.172 1.00 0.00 N ATOM 307 CA PRO A 68 -9.894 3.106 9.188 1.00 0.00 C ATOM 308 C PRO A 68 -9.641 3.854 7.867 1.00 0.00 C ATOM 309 O PRO A 68 -8.989 4.902 7.850 1.00 0.00 O ATOM 310 CB PRO A 68 -8.731 2.148 9.486 1.00 0.00 C ATOM 311 CG PRO A 68 -9.260 0.766 9.115 1.00 0.00 C ATOM 312 CD PRO A 68 -10.744 0.870 9.434 1.00 0.00 C ATOM 0 HA PRO A 68 -10.008 3.893 9.934 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.848 2.404 8.901 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.441 2.192 10.536 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.088 0.537 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.777 -0.020 9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.328 0.191 8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.942 0.603 10.472 1.00 0.00 H new ATOM 320 N LEU A 69 -10.168 3.320 6.761 1.00 0.00 N ATOM 321 CA LEU A 69 -10.072 3.875 5.410 1.00 0.00 C ATOM 322 C LEU A 69 -11.109 4.975 5.113 1.00 0.00 C ATOM 323 O LEU A 69 -11.004 5.627 4.075 1.00 0.00 O ATOM 324 CB LEU A 69 -10.146 2.686 4.425 1.00 0.00 C ATOM 325 CG LEU A 69 -8.787 2.196 3.889 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.752 1.939 4.986 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.968 0.881 3.131 1.00 0.00 C ATOM 0 H LEU A 69 -10.697 2.449 6.786 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.123 4.399 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.645 1.854 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.771 2.973 3.579 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.422 2.997 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.821 1.597 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.570 2.861 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.127 1.176 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.003 0.542 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.381 0.128 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.649 1.034 2.294 1.00 0.00 H new ATOM 339 N ALA A 70 -12.087 5.221 5.997 1.00 0.00 N ATOM 340 CA ALA A 70 -13.122 6.233 5.781 1.00 0.00 C ATOM 341 C ALA A 70 -12.518 7.613 5.433 1.00 0.00 C ATOM 342 O ALA A 70 -11.681 8.146 6.168 1.00 0.00 O ATOM 343 CB ALA A 70 -14.022 6.319 7.018 1.00 0.00 C ATOM 0 H ALA A 70 -12.179 4.721 6.881 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.722 5.931 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.792 7.073 6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.492 5.352 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.422 6.594 7.886 1.00 0.00 H new ATOM 349 N GLY A 71 -12.953 8.188 4.304 1.00 0.00 N ATOM 350 CA GLY A 71 -12.459 9.470 3.789 1.00 0.00 C ATOM 351 C GLY A 71 -11.270 9.399 2.830 1.00 0.00 C ATOM 352 O GLY A 71 -10.827 10.447 2.359 1.00 0.00 O ATOM 0 H GLY A 71 -13.670 7.767 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.280 9.974 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.178 10.095 4.637 1.00 0.00 H new ATOM 356 N LEU A 72 -10.740 8.203 2.539 1.00 0.00 N ATOM 357 CA LEU A 72 -9.530 8.020 1.724 1.00 0.00 C ATOM 358 C LEU A 72 -9.849 7.456 0.317 1.00 0.00 C ATOM 359 O LEU A 72 -10.863 6.771 0.166 1.00 0.00 O ATOM 360 CB LEU A 72 -8.563 7.121 2.513 1.00 0.00 C ATOM 361 CG LEU A 72 -8.220 7.541 3.957 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.115 6.623 4.486 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.736 8.988 4.062 1.00 0.00 C ATOM 0 H LEU A 72 -11.144 7.325 2.866 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.061 8.986 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.987 6.118 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.631 7.055 1.951 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.136 7.458 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.862 6.909 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.463 5.590 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.232 6.715 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.511 9.222 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.837 9.116 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.514 9.659 3.699 1.00 0.00 H new ATOM 375 N PRO A 73 -9.014 7.704 -0.720 1.00 0.00 N ATOM 376 CA PRO A 73 -9.219 7.197 -2.090 1.00 0.00 C ATOM 377 C PRO A 73 -9.362 5.678 -2.154 1.00 0.00 C ATOM 378 O PRO A 73 -8.660 4.948 -1.453 1.00 0.00 O ATOM 379 CB PRO A 73 -8.006 7.664 -2.906 1.00 0.00 C ATOM 380 CG PRO A 73 -6.939 7.928 -1.847 1.00 0.00 C ATOM 381 CD PRO A 73 -7.751 8.427 -0.658 1.00 0.00 C ATOM 0 HA PRO A 73 -10.156 7.586 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.685 6.903 -3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.231 8.563 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.380 7.024 -1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.214 8.671 -2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.233 8.232 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.912 9.504 -0.716 1.00 0.00 H new ATOM 389 N VAL A 74 -10.232 5.196 -3.044 1.00 0.00 N ATOM 390 CA VAL A 74 -10.366 3.756 -3.316 1.00 0.00 C ATOM 391 C VAL A 74 -9.252 3.267 -4.250 1.00 0.00 C ATOM 392 O VAL A 74 -8.772 2.145 -4.086 1.00 0.00 O ATOM 393 CB VAL A 74 -11.772 3.400 -3.846 1.00 0.00 C ATOM 394 CG1 VAL A 74 -11.972 1.886 -3.968 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.872 3.922 -2.912 1.00 0.00 C ATOM 0 H VAL A 74 -10.860 5.783 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.251 3.227 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.843 3.870 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.974 1.681 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.234 1.476 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.850 1.423 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.849 3.654 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.752 3.477 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.797 5.007 -2.832 1.00 0.00 H new ATOM 405 N THR A 75 -8.791 4.108 -5.189 1.00 0.00 N ATOM 406 CA THR A 75 -7.811 3.732 -6.231 1.00 0.00 C ATOM 407 C THR A 75 -6.667 4.739 -6.406 1.00 0.00 C ATOM 408 O THR A 75 -6.743 5.887 -5.968 1.00 0.00 O ATOM 409 CB THR A 75 -8.506 3.493 -7.591 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.709 4.724 -8.257 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.857 2.786 -7.475 1.00 0.00 C ATOM 0 H THR A 75 -9.090 5.081 -5.250 1.00 0.00 H new ATOM 0 HA THR A 75 -7.361 2.805 -5.876 1.00 0.00 H new ATOM 0 HB THR A 75 -7.837 2.841 -8.153 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.148 4.562 -9.118 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.284 2.653 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.719 1.812 -7.006 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.532 3.389 -6.867 1.00 0.00 H new ATOM 419 N ARG A 76 -5.602 4.307 -7.108 1.00 0.00 N ATOM 420 CA ARG A 76 -4.481 5.164 -7.558 1.00 0.00 C ATOM 421 C ARG A 76 -4.988 6.388 -8.333 1.00 0.00 C ATOM 422 O ARG A 76 -4.541 7.505 -8.090 1.00 0.00 O ATOM 423 CB ARG A 76 -3.532 4.320 -8.441 1.00 0.00 C ATOM 424 CG ARG A 76 -2.622 3.359 -7.650 1.00 0.00 C ATOM 425 CD ARG A 76 -2.115 2.216 -8.554 1.00 0.00 C ATOM 426 NE ARG A 76 -0.839 1.620 -8.102 1.00 0.00 N ATOM 427 CZ ARG A 76 -0.607 0.834 -7.060 1.00 0.00 C ATOM 428 NH1 ARG A 76 -1.509 0.470 -6.206 1.00 0.00 N ATOM 429 NH2 ARG A 76 0.575 0.374 -6.808 1.00 0.00 N ATOM 0 H ARG A 76 -5.492 3.332 -7.386 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.945 5.534 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.129 3.740 -9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.908 4.992 -9.030 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.774 3.908 -7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.171 2.944 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.875 1.436 -8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.989 2.596 -9.568 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.023 1.845 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.471 0.791 -6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.258 -0.138 -5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.356 0.614 -7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.726 -0.229 -5.999 1.00 0.00 H new ATOM 443 N SER A 77 -5.974 6.186 -9.206 1.00 0.00 N ATOM 444 CA SER A 77 -6.603 7.257 -9.993 1.00 0.00 C ATOM 445 C SER A 77 -7.486 8.178 -9.154 1.00 0.00 C ATOM 446 O SER A 77 -7.427 9.389 -9.354 1.00 0.00 O ATOM 447 CB SER A 77 -7.374 6.661 -11.174 1.00 0.00 C ATOM 448 OG SER A 77 -6.438 6.076 -12.073 1.00 0.00 O ATOM 0 H SER A 77 -6.367 5.263 -9.392 1.00 0.00 H new ATOM 0 HA SER A 77 -5.801 7.888 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.083 5.911 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.952 7.435 -11.679 1.00 0.00 H new ATOM 0 HG SER A 77 -6.916 5.687 -12.835 1.00 0.00 H new ATOM 454 N ASP A 78 -8.216 7.672 -8.150 1.00 0.00 N ATOM 455 CA ASP A 78 -8.933 8.552 -7.213 1.00 0.00 C ATOM 456 C ASP A 78 -7.949 9.444 -6.457 1.00 0.00 C ATOM 457 O ASP A 78 -8.167 10.645 -6.362 1.00 0.00 O ATOM 458 CB ASP A 78 -9.777 7.781 -6.190 1.00 0.00 C ATOM 459 CG ASP A 78 -10.824 6.853 -6.802 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.475 7.238 -7.802 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.044 5.781 -6.198 1.00 0.00 O ATOM 0 H ASP A 78 -8.326 6.675 -7.966 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.608 9.152 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.111 7.191 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.280 8.497 -5.540 1.00 0.00 H new ATOM 466 N ALA A 79 -6.831 8.893 -5.979 1.00 0.00 N ATOM 467 CA ALA A 79 -5.802 9.651 -5.270 1.00 0.00 C ATOM 468 C ALA A 79 -5.159 10.742 -6.154 1.00 0.00 C ATOM 469 O ALA A 79 -5.097 11.907 -5.757 1.00 0.00 O ATOM 470 CB ALA A 79 -4.778 8.641 -4.740 1.00 0.00 C ATOM 0 H ALA A 79 -6.614 7.901 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.246 10.201 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.990 9.169 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.272 7.942 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.342 8.092 -5.575 1.00 0.00 H new ATOM 476 N ARG A 80 -4.765 10.391 -7.388 1.00 0.00 N ATOM 477 CA ARG A 80 -4.240 11.323 -8.411 1.00 0.00 C ATOM 478 C ARG A 80 -5.211 12.477 -8.683 1.00 0.00 C ATOM 479 O ARG A 80 -4.815 13.641 -8.679 1.00 0.00 O ATOM 480 CB ARG A 80 -3.955 10.505 -9.689 1.00 0.00 C ATOM 481 CG ARG A 80 -3.020 11.216 -10.682 1.00 0.00 C ATOM 482 CD ARG A 80 -2.998 10.558 -12.072 1.00 0.00 C ATOM 483 NE ARG A 80 -2.815 9.089 -11.999 1.00 0.00 N ATOM 484 CZ ARG A 80 -3.704 8.153 -12.292 1.00 0.00 C ATOM 485 NH1 ARG A 80 -4.855 8.425 -12.834 1.00 0.00 N ATOM 486 NH2 ARG A 80 -3.479 6.903 -12.014 1.00 0.00 N ATOM 0 H ARG A 80 -4.802 9.426 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.322 11.787 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.512 9.550 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.899 10.284 -10.187 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.332 12.255 -10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.009 11.225 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.931 10.780 -12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.193 10.993 -12.664 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.900 8.762 -11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.102 9.391 -13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.511 7.672 -13.043 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.606 6.630 -11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.176 6.195 -12.247 1.00 0.00 H new ATOM 500 N VAL A 81 -6.497 12.160 -8.858 1.00 0.00 N ATOM 501 CA VAL A 81 -7.545 13.145 -9.178 1.00 0.00 C ATOM 502 C VAL A 81 -7.977 13.955 -7.948 1.00 0.00 C ATOM 503 O VAL A 81 -8.249 15.142 -8.097 1.00 0.00 O ATOM 504 CB VAL A 81 -8.719 12.460 -9.908 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.888 13.417 -10.175 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.264 11.937 -11.277 1.00 0.00 C ATOM 0 H VAL A 81 -6.847 11.205 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.128 13.881 -9.865 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.046 11.654 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.686 12.882 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.264 13.805 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.546 14.245 -10.796 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.103 11.456 -11.780 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.905 12.769 -11.883 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.460 11.214 -11.141 1.00 0.00 H new ATOM 516 N LEU A 82 -7.949 13.404 -6.727 1.00 0.00 N ATOM 517 CA LEU A 82 -8.141 14.188 -5.496 1.00 0.00 C ATOM 518 C LEU A 82 -7.024 15.225 -5.311 1.00 0.00 C ATOM 519 O LEU A 82 -7.317 16.386 -5.027 1.00 0.00 O ATOM 520 CB LEU A 82 -8.214 13.245 -4.279 1.00 0.00 C ATOM 521 CG LEU A 82 -9.540 12.468 -4.168 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.362 11.306 -3.200 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.699 13.337 -3.678 1.00 0.00 C ATOM 0 H LEU A 82 -7.794 12.409 -6.563 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.082 14.732 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.391 12.533 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.070 13.829 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.789 12.117 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.298 10.754 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.580 10.642 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.080 11.689 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.606 12.735 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.464 13.735 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.855 14.162 -4.374 1.00 0.00 H new ATOM 535 N ILE A 83 -5.759 14.845 -5.547 1.00 0.00 N ATOM 536 CA ILE A 83 -4.628 15.794 -5.505 1.00 0.00 C ATOM 537 C ILE A 83 -4.781 16.865 -6.598 1.00 0.00 C ATOM 538 O ILE A 83 -4.582 18.047 -6.322 1.00 0.00 O ATOM 539 CB ILE A 83 -3.270 15.061 -5.602 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.051 14.143 -4.371 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.121 16.089 -5.699 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.957 13.087 -4.579 1.00 0.00 C ATOM 0 H ILE A 83 -5.490 13.887 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.644 16.300 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.278 14.442 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.791 14.759 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.988 13.641 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.168 15.564 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.259 16.707 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.124 16.723 -4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.859 12.482 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.225 12.446 -5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.009 13.582 -4.788 1.00 0.00 H new ATOM 554 N PHE A 84 -5.188 16.483 -7.816 1.00 0.00 N ATOM 555 CA PHE A 84 -5.472 17.445 -8.888 1.00 0.00 C ATOM 556 C PHE A 84 -6.593 18.430 -8.517 1.00 0.00 C ATOM 557 O PHE A 84 -6.417 19.639 -8.656 1.00 0.00 O ATOM 558 CB PHE A 84 -5.846 16.699 -10.178 1.00 0.00 C ATOM 559 CG PHE A 84 -6.241 17.594 -11.343 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.506 18.758 -11.636 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.359 17.269 -12.135 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.847 19.562 -12.734 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.705 18.077 -13.235 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.943 19.217 -13.542 1.00 0.00 C ATOM 0 H PHE A 84 -5.328 15.509 -8.084 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.564 18.028 -9.042 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.000 16.083 -10.483 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.672 16.022 -9.962 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.671 19.035 -11.009 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.952 16.398 -11.898 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.267 20.445 -12.958 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.559 17.820 -13.845 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.199 19.826 -14.396 1.00 0.00 H new ATOM 574 N ASN A 85 -7.726 17.927 -8.022 1.00 0.00 N ATOM 575 CA ASN A 85 -8.884 18.738 -7.644 1.00 0.00 C ATOM 576 C ASN A 85 -8.509 19.737 -6.525 1.00 0.00 C ATOM 577 O ASN A 85 -8.780 20.935 -6.641 1.00 0.00 O ATOM 578 CB ASN A 85 -10.019 17.768 -7.246 1.00 0.00 C ATOM 579 CG ASN A 85 -11.360 18.422 -6.933 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.485 19.607 -6.668 1.00 0.00 O ATOM 581 ND2 ASN A 85 -12.426 17.653 -6.937 1.00 0.00 N ATOM 0 H ASN A 85 -7.866 16.928 -7.870 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.228 19.354 -8.475 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.163 17.053 -8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.699 17.200 -6.373 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.341 18.049 -6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.338 16.661 -7.156 1.00 0.00 H new ATOM 588 N GLU A 86 -7.802 19.263 -5.489 1.00 0.00 N ATOM 589 CA GLU A 86 -7.270 20.129 -4.432 1.00 0.00 C ATOM 590 C GLU A 86 -6.310 21.186 -4.996 1.00 0.00 C ATOM 591 O GLU A 86 -6.537 22.370 -4.753 1.00 0.00 O ATOM 592 CB GLU A 86 -6.615 19.302 -3.310 1.00 0.00 C ATOM 593 CG GLU A 86 -6.058 20.228 -2.216 1.00 0.00 C ATOM 594 CD GLU A 86 -5.643 19.512 -0.914 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.275 18.312 -0.932 1.00 0.00 O ATOM 596 OE2 GLU A 86 -5.651 20.188 0.144 1.00 0.00 O ATOM 0 H GLU A 86 -7.585 18.274 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.111 20.666 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.347 18.619 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.812 18.691 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.193 20.759 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.811 20.979 -1.977 1.00 0.00 H new ATOM 603 N TRP A 87 -5.289 20.809 -5.780 1.00 0.00 N ATOM 604 CA TRP A 87 -4.404 21.778 -6.424 1.00 0.00 C ATOM 605 C TRP A 87 -5.177 22.828 -7.230 1.00 0.00 C ATOM 606 O TRP A 87 -4.857 24.007 -7.130 1.00 0.00 O ATOM 607 CB TRP A 87 -3.401 21.065 -7.338 1.00 0.00 C ATOM 608 CG TRP A 87 -2.642 22.020 -8.208 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.557 22.726 -7.829 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.978 22.492 -9.552 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.199 23.601 -8.834 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.042 23.505 -9.917 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.000 22.196 -10.483 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.102 24.179 -11.145 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.076 22.873 -11.717 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.124 23.850 -12.050 1.00 0.00 C ATOM 0 H TRP A 87 -5.059 19.836 -5.981 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.871 22.296 -5.627 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.699 20.496 -6.728 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.931 20.349 -7.966 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.046 22.622 -6.883 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.406 24.241 -8.781 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.733 21.440 -10.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.374 24.938 -11.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.871 22.639 -12.410 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.178 24.350 -13.006 1.00 0.00 H new ATOM 627 N GLU A 88 -6.193 22.439 -8.000 1.00 0.00 N ATOM 628 CA GLU A 88 -6.931 23.363 -8.862 1.00 0.00 C ATOM 629 C GLU A 88 -7.758 24.373 -8.044 1.00 0.00 C ATOM 630 O GLU A 88 -7.697 25.575 -8.309 1.00 0.00 O ATOM 631 CB GLU A 88 -7.782 22.554 -9.853 1.00 0.00 C ATOM 632 CG GLU A 88 -8.042 23.293 -11.168 1.00 0.00 C ATOM 633 CD GLU A 88 -9.004 24.491 -11.025 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.115 24.326 -10.463 1.00 0.00 O ATOM 635 OE2 GLU A 88 -8.643 25.587 -11.521 1.00 0.00 O ATOM 0 H GLU A 88 -6.527 21.476 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.226 23.967 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.280 21.610 -10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.736 22.309 -9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.093 23.646 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.454 22.592 -11.894 1.00 0.00 H new ATOM 642 N GLU A 89 -8.448 23.927 -6.986 1.00 0.00 N ATOM 643 CA GLU A 89 -9.169 24.815 -6.067 1.00 0.00 C ATOM 644 C GLU A 89 -8.216 25.765 -5.311 1.00 0.00 C ATOM 645 O GLU A 89 -8.431 26.983 -5.276 1.00 0.00 O ATOM 646 CB GLU A 89 -10.004 23.962 -5.096 1.00 0.00 C ATOM 647 CG GLU A 89 -10.880 24.823 -4.180 1.00 0.00 C ATOM 648 CD GLU A 89 -11.801 23.942 -3.316 1.00 0.00 C ATOM 649 OE1 GLU A 89 -11.355 23.447 -2.252 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.985 23.748 -3.686 1.00 0.00 O ATOM 0 H GLU A 89 -8.522 22.939 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.834 25.454 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.636 23.280 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.338 23.349 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.249 25.436 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.481 25.505 -4.781 1.00 0.00 H new ATOM 657 N ARG A 90 -7.111 25.225 -4.767 1.00 0.00 N ATOM 658 CA ARG A 90 -6.048 26.019 -4.127 1.00 0.00 C ATOM 659 C ARG A 90 -5.502 27.055 -5.102 1.00 0.00 C ATOM 660 O ARG A 90 -5.442 28.223 -4.751 1.00 0.00 O ATOM 661 CB ARG A 90 -4.889 25.121 -3.686 1.00 0.00 C ATOM 662 CG ARG A 90 -5.237 24.082 -2.619 1.00 0.00 C ATOM 663 CD ARG A 90 -5.045 24.566 -1.178 1.00 0.00 C ATOM 664 NE ARG A 90 -5.283 23.461 -0.227 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.375 23.530 1.088 1.00 0.00 C ATOM 666 NH1 ARG A 90 -5.275 24.656 1.739 1.00 0.00 N ATOM 667 NH2 ARG A 90 -5.571 22.441 1.769 1.00 0.00 N ATOM 0 H ARG A 90 -6.930 24.221 -4.759 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.483 26.512 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.500 24.602 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.086 25.753 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.275 23.777 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.621 23.196 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.034 24.953 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.730 25.388 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.389 22.533 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.120 25.527 1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.352 24.666 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.652 21.546 1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.644 22.481 2.786 1.00 0.00 H new ATOM 681 N LYS A 91 -5.179 26.640 -6.328 1.00 0.00 N ATOM 682 CA LYS A 91 -4.720 27.507 -7.435 1.00 0.00 C ATOM 683 C LYS A 91 -5.715 28.637 -7.749 1.00 0.00 C ATOM 684 O LYS A 91 -5.276 29.765 -7.972 1.00 0.00 O ATOM 685 CB LYS A 91 -4.359 26.646 -8.668 1.00 0.00 C ATOM 686 CG LYS A 91 -3.962 27.447 -9.921 1.00 0.00 C ATOM 687 CD LYS A 91 -5.104 27.598 -10.944 1.00 0.00 C ATOM 688 CE LYS A 91 -5.301 26.288 -11.719 1.00 0.00 C ATOM 689 NZ LYS A 91 -6.353 26.402 -12.747 1.00 0.00 N ATOM 0 H LYS A 91 -5.229 25.657 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.812 28.019 -7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.536 25.983 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.212 26.013 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.625 28.438 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.116 26.956 -10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.027 27.868 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.876 28.408 -11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.362 26.003 -12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.561 25.491 -11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.272 25.610 -13.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.288 26.377 -12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.242 27.300 -13.260 1.00 0.00 H new ATOM 703 N LYS A 92 -7.033 28.394 -7.719 1.00 0.00 N ATOM 704 CA LYS A 92 -8.044 29.465 -7.854 1.00 0.00 C ATOM 705 C LYS A 92 -8.030 30.448 -6.671 1.00 0.00 C ATOM 706 O LYS A 92 -8.179 31.650 -6.899 1.00 0.00 O ATOM 707 CB LYS A 92 -9.449 28.873 -8.064 1.00 0.00 C ATOM 708 CG LYS A 92 -9.613 28.325 -9.490 1.00 0.00 C ATOM 709 CD LYS A 92 -10.961 27.626 -9.717 1.00 0.00 C ATOM 710 CE LYS A 92 -12.153 28.591 -9.613 1.00 0.00 C ATOM 711 NZ LYS A 92 -13.441 27.911 -9.932 1.00 0.00 N ATOM 0 H LYS A 92 -7.430 27.462 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.774 30.040 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.622 28.074 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.201 29.639 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.512 29.145 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.807 27.621 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.962 27.158 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.080 26.828 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.200 29.005 -8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.004 29.428 -10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.223 28.592 -9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.406 27.538 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.595 27.128 -9.265 1.00 0.00 H new ATOM 725 N SER A 93 -7.810 29.976 -5.441 1.00 0.00 N ATOM 726 CA SER A 93 -7.668 30.863 -4.265 1.00 0.00 C ATOM 727 C SER A 93 -6.318 31.611 -4.194 1.00 0.00 C ATOM 728 O SER A 93 -6.277 32.786 -3.823 1.00 0.00 O ATOM 729 CB SER A 93 -7.865 30.068 -2.970 1.00 0.00 C ATOM 730 OG SER A 93 -9.181 29.532 -2.910 1.00 0.00 O ATOM 0 H SER A 93 -7.725 28.983 -5.225 1.00 0.00 H new ATOM 0 HA SER A 93 -8.443 31.620 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.134 29.261 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.689 30.714 -2.110 1.00 0.00 H new ATOM 0 HG SER A 93 -9.290 29.026 -2.078 1.00 0.00 H new ATOM 736 N ASP A 94 -5.219 30.943 -4.552 1.00 0.00 N ATOM 737 CA ASP A 94 -3.817 31.346 -4.397 1.00 0.00 C ATOM 738 C ASP A 94 -2.958 30.648 -5.489 1.00 0.00 C ATOM 739 O ASP A 94 -2.686 29.447 -5.395 1.00 0.00 O ATOM 740 CB ASP A 94 -3.314 30.940 -2.999 1.00 0.00 C ATOM 741 CG ASP A 94 -3.896 31.819 -1.880 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.443 32.980 -1.731 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.772 31.341 -1.117 1.00 0.00 O ATOM 0 H ASP A 94 -5.292 30.028 -4.996 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.733 32.427 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.577 29.899 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.226 31.003 -2.976 1.00 0.00 H new ATOM 748 N PRO A 95 -2.517 31.359 -6.544 1.00 0.00 N ATOM 749 CA PRO A 95 -2.074 30.750 -7.810 1.00 0.00 C ATOM 750 C PRO A 95 -0.687 30.079 -7.802 1.00 0.00 C ATOM 751 O PRO A 95 -0.367 29.334 -8.730 1.00 0.00 O ATOM 752 CB PRO A 95 -2.131 31.895 -8.829 1.00 0.00 C ATOM 753 CG PRO A 95 -1.867 33.128 -7.964 1.00 0.00 C ATOM 754 CD PRO A 95 -2.658 32.797 -6.706 1.00 0.00 C ATOM 0 HA PRO A 95 -2.727 29.909 -8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.379 31.780 -9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.100 31.948 -9.325 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.805 33.263 -7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.218 34.044 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.267 33.332 -5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.705 33.082 -6.811 1.00 0.00 H new ATOM 762 N TRP A 96 0.139 30.328 -6.781 1.00 0.00 N ATOM 763 CA TRP A 96 1.541 29.882 -6.715 1.00 0.00 C ATOM 764 C TRP A 96 1.747 28.359 -6.612 1.00 0.00 C ATOM 765 O TRP A 96 2.842 27.877 -6.919 1.00 0.00 O ATOM 766 CB TRP A 96 2.212 30.543 -5.502 1.00 0.00 C ATOM 767 CG TRP A 96 1.821 29.942 -4.183 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.610 30.059 -3.598 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.589 29.041 -3.322 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.575 29.316 -2.432 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.765 28.655 -2.222 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.888 28.489 -3.376 1.00 0.00 C ATOM 773 CZ2 TRP A 96 2.206 27.774 -1.224 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.344 27.605 -2.377 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.507 27.247 -1.303 1.00 0.00 C ATOM 0 H TRP A 96 -0.151 30.856 -5.958 1.00 0.00 H new ATOM 0 HA TRP A 96 1.987 30.181 -7.664 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.294 30.472 -5.615 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.961 31.604 -5.495 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.210 30.646 -3.984 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.230 29.264 -1.807 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.542 28.748 -4.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.555 27.504 -0.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.343 27.199 -2.436 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.864 26.569 -0.542 1.00 0.00 H new ATOM 786 N LEU A 97 0.743 27.602 -6.140 1.00 0.00 N ATOM 787 CA LEU A 97 0.918 26.206 -5.738 1.00 0.00 C ATOM 788 C LEU A 97 1.334 25.300 -6.919 1.00 0.00 C ATOM 789 O LEU A 97 0.802 25.429 -8.024 1.00 0.00 O ATOM 790 CB LEU A 97 -0.386 25.719 -5.077 1.00 0.00 C ATOM 791 CG LEU A 97 -0.298 24.324 -4.427 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.638 24.302 -3.218 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.685 23.906 -3.964 1.00 0.00 C ATOM 0 H LEU A 97 -0.211 27.945 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 97 1.737 26.145 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.683 26.441 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.175 25.705 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 97 0.099 23.639 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.665 23.297 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.642 24.592 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.276 25.002 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.633 22.920 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.059 24.627 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.359 23.871 -4.820 1.00 0.00 H new ATOM 805 N ARG A 98 2.233 24.334 -6.674 1.00 0.00 N ATOM 806 CA ARG A 98 2.661 23.315 -7.656 1.00 0.00 C ATOM 807 C ARG A 98 1.870 22.005 -7.492 1.00 0.00 C ATOM 808 O ARG A 98 1.578 21.592 -6.369 1.00 0.00 O ATOM 809 CB ARG A 98 4.185 23.104 -7.513 1.00 0.00 C ATOM 810 CG ARG A 98 4.854 22.353 -8.677 1.00 0.00 C ATOM 811 CD ARG A 98 4.915 23.188 -9.967 1.00 0.00 C ATOM 812 NE ARG A 98 5.631 22.467 -11.037 1.00 0.00 N ATOM 813 CZ ARG A 98 5.987 22.948 -12.217 1.00 0.00 C ATOM 814 NH1 ARG A 98 5.711 24.171 -12.581 1.00 0.00 N ATOM 815 NH2 ARG A 98 6.632 22.202 -13.066 1.00 0.00 N ATOM 0 H ARG A 98 2.695 24.234 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 98 2.447 23.664 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.662 24.078 -7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.375 22.555 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.865 22.067 -8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.306 21.431 -8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.904 23.425 -10.298 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.415 24.136 -9.766 1.00 0.00 H new ATOM 0 HE ARG A 98 5.877 21.496 -10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.205 24.790 -11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.001 24.508 -13.499 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.866 21.239 -12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.903 22.580 -13.974 1.00 0.00 H new ATOM 829 N LEU A 99 1.527 21.353 -8.608 1.00 0.00 N ATOM 830 CA LEU A 99 0.828 20.058 -8.642 1.00 0.00 C ATOM 831 C LEU A 99 1.871 18.917 -8.680 1.00 0.00 C ATOM 832 O LEU A 99 2.630 18.809 -9.646 1.00 0.00 O ATOM 833 CB LEU A 99 -0.117 20.058 -9.870 1.00 0.00 C ATOM 834 CG LEU A 99 -1.295 19.059 -9.888 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.896 19.031 -11.295 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.904 17.641 -9.535 1.00 0.00 C ATOM 0 H LEU A 99 1.732 21.718 -9.538 1.00 0.00 H new ATOM 0 HA LEU A 99 0.222 19.899 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.531 21.061 -9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.490 19.872 -10.756 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.999 19.405 -9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.729 18.329 -11.321 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.252 20.027 -11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.135 18.717 -12.010 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.786 17.001 -9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.164 17.279 -10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.480 17.620 -8.531 1.00 0.00 H new ATOM 848 N ASP A 100 1.901 18.051 -7.656 1.00 0.00 N ATOM 849 CA ASP A 100 2.788 16.875 -7.583 1.00 0.00 C ATOM 850 C ASP A 100 2.023 15.616 -7.132 1.00 0.00 C ATOM 851 O ASP A 100 1.476 15.572 -6.029 1.00 0.00 O ATOM 852 CB ASP A 100 3.966 17.156 -6.635 1.00 0.00 C ATOM 853 CG ASP A 100 4.969 18.161 -7.227 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.751 17.771 -8.127 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.010 19.328 -6.765 1.00 0.00 O ATOM 0 H ASP A 100 1.299 18.148 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 100 3.175 16.685 -8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.584 17.542 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.481 16.221 -6.413 1.00 0.00 H new ATOM 860 N MET A 101 1.975 14.589 -7.993 1.00 0.00 N ATOM 861 CA MET A 101 1.247 13.327 -7.754 1.00 0.00 C ATOM 862 C MET A 101 1.868 12.138 -8.509 1.00 0.00 C ATOM 863 O MET A 101 1.220 11.432 -9.285 1.00 0.00 O ATOM 864 CB MET A 101 -0.277 13.499 -7.974 1.00 0.00 C ATOM 865 CG MET A 101 -0.742 14.434 -9.090 1.00 0.00 C ATOM 866 SD MET A 101 -0.641 13.815 -10.789 1.00 0.00 S ATOM 867 CE MET A 101 -1.990 14.781 -11.525 1.00 0.00 C ATOM 0 H MET A 101 2.450 14.610 -8.895 1.00 0.00 H new ATOM 0 HA MET A 101 1.362 13.071 -6.701 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.699 12.513 -8.167 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.711 13.854 -7.039 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.779 14.707 -8.892 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.154 15.350 -9.029 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.211 14.397 -12.521 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.879 14.700 -10.899 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.691 15.827 -11.597 1.00 0.00 H new ATOM 877 N SER A 102 3.156 11.900 -8.240 1.00 0.00 N ATOM 878 CA SER A 102 3.817 10.627 -8.556 1.00 0.00 C ATOM 879 C SER A 102 3.191 9.464 -7.774 1.00 0.00 C ATOM 880 O SER A 102 2.597 9.657 -6.710 1.00 0.00 O ATOM 881 CB SER A 102 5.314 10.727 -8.238 1.00 0.00 C ATOM 882 OG SER A 102 5.509 10.919 -6.843 1.00 0.00 O ATOM 0 H SER A 102 3.770 12.583 -7.797 1.00 0.00 H new ATOM 0 HA SER A 102 3.682 10.428 -9.619 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.823 9.819 -8.562 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.756 11.555 -8.792 1.00 0.00 H new ATOM 0 HG SER A 102 6.468 10.980 -6.652 1.00 0.00 H new ATOM 888 N ASP A 103 3.375 8.231 -8.247 1.00 0.00 N ATOM 889 CA ASP A 103 2.908 7.029 -7.541 1.00 0.00 C ATOM 890 C ASP A 103 3.410 7.003 -6.081 1.00 0.00 C ATOM 891 O ASP A 103 2.637 6.743 -5.158 1.00 0.00 O ATOM 892 CB ASP A 103 3.374 5.786 -8.312 1.00 0.00 C ATOM 893 CG ASP A 103 2.729 5.699 -9.706 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.591 5.183 -9.817 1.00 0.00 O ATOM 895 OD2 ASP A 103 3.368 6.134 -10.695 1.00 0.00 O ATOM 0 H ASP A 103 3.850 8.034 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 103 1.819 7.039 -7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.459 5.809 -8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.126 4.891 -7.741 1.00 0.00 H new ATOM 900 N LYS A 104 4.667 7.415 -5.855 1.00 0.00 N ATOM 901 CA LYS A 104 5.256 7.591 -4.515 1.00 0.00 C ATOM 902 C LYS A 104 4.530 8.653 -3.683 1.00 0.00 C ATOM 903 O LYS A 104 4.271 8.401 -2.511 1.00 0.00 O ATOM 904 CB LYS A 104 6.756 7.916 -4.635 1.00 0.00 C ATOM 905 CG LYS A 104 7.559 6.755 -5.241 1.00 0.00 C ATOM 906 CD LYS A 104 9.054 7.099 -5.314 1.00 0.00 C ATOM 907 CE LYS A 104 9.840 5.933 -5.931 1.00 0.00 C ATOM 908 NZ LYS A 104 11.294 6.237 -6.026 1.00 0.00 N ATOM 0 H LYS A 104 5.315 7.639 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 104 5.135 6.648 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.884 8.805 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.154 8.154 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.418 5.857 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.184 6.531 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.198 8.000 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.434 7.314 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.694 5.037 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.448 5.716 -6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.791 5.427 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.435 7.078 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.673 6.420 -5.075 1.00 0.00 H new ATOM 922 N ALA A 105 4.123 9.790 -4.261 1.00 0.00 N ATOM 923 CA ALA A 105 3.297 10.783 -3.564 1.00 0.00 C ATOM 924 C ALA A 105 1.947 10.198 -3.122 1.00 0.00 C ATOM 925 O ALA A 105 1.505 10.447 -1.999 1.00 0.00 O ATOM 926 CB ALA A 105 3.135 12.025 -4.448 1.00 0.00 C ATOM 0 H ALA A 105 4.356 10.046 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 105 3.804 11.080 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.522 12.762 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.115 12.452 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.653 11.745 -5.384 1.00 0.00 H new ATOM 932 N ILE A 106 1.336 9.350 -3.958 1.00 0.00 N ATOM 933 CA ILE A 106 0.070 8.687 -3.610 1.00 0.00 C ATOM 934 C ILE A 106 0.286 7.705 -2.463 1.00 0.00 C ATOM 935 O ILE A 106 -0.454 7.762 -1.489 1.00 0.00 O ATOM 936 CB ILE A 106 -0.606 8.053 -4.853 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.382 9.125 -5.641 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.607 6.936 -4.498 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.495 10.184 -6.286 1.00 0.00 C ATOM 0 H ILE A 106 1.696 9.106 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.636 9.437 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 106 0.205 7.623 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.970 8.636 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.087 9.616 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.044 6.535 -5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.089 6.139 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.397 7.342 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.116 10.902 -6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.074 10.702 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.192 9.707 -6.984 1.00 0.00 H new ATOM 951 N PHE A 107 1.316 6.860 -2.518 1.00 0.00 N ATOM 952 CA PHE A 107 1.536 5.871 -1.445 1.00 0.00 C ATOM 953 C PHE A 107 2.031 6.509 -0.131 1.00 0.00 C ATOM 954 O PHE A 107 1.745 5.991 0.948 1.00 0.00 O ATOM 955 CB PHE A 107 2.449 4.718 -1.895 1.00 0.00 C ATOM 956 CG PHE A 107 2.142 4.157 -3.268 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.805 3.971 -3.666 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.188 3.857 -4.160 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.510 3.584 -4.980 1.00 0.00 C ATOM 960 CE2 PHE A 107 2.892 3.441 -5.470 1.00 0.00 C ATOM 961 CZ PHE A 107 1.553 3.342 -5.891 1.00 0.00 C ATOM 0 H PHE A 107 2.001 6.834 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 107 0.557 5.443 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.482 5.067 -1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.377 3.912 -1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.005 4.127 -2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.215 3.946 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.518 3.472 -5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.692 3.197 -6.153 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.327 3.080 -6.914 1.00 0.00 H new ATOM 971 N ARG A 108 2.719 7.662 -0.188 1.00 0.00 N ATOM 972 CA ARG A 108 3.111 8.457 0.990 1.00 0.00 C ATOM 973 C ARG A 108 1.919 9.159 1.655 1.00 0.00 C ATOM 974 O ARG A 108 1.843 9.168 2.885 1.00 0.00 O ATOM 975 CB ARG A 108 4.199 9.468 0.585 1.00 0.00 C ATOM 976 CG ARG A 108 5.589 8.843 0.366 1.00 0.00 C ATOM 977 CD ARG A 108 6.264 8.401 1.673 1.00 0.00 C ATOM 978 NE ARG A 108 7.646 7.935 1.431 1.00 0.00 N ATOM 979 CZ ARG A 108 8.050 6.715 1.119 1.00 0.00 C ATOM 980 NH1 ARG A 108 7.221 5.719 0.966 1.00 0.00 N ATOM 981 NH2 ARG A 108 9.317 6.468 0.948 1.00 0.00 N ATOM 0 H ARG A 108 3.024 8.076 -1.069 1.00 0.00 H new ATOM 0 HA ARG A 108 3.511 7.773 1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 108 3.890 9.970 -0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.274 10.233 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.493 7.982 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.230 9.565 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.276 9.232 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.683 7.601 2.133 1.00 0.00 H new ATOM 0 HE ARG A 108 8.377 8.641 1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 108 6.219 5.866 1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 108 7.575 4.793 0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 108 10.001 7.217 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 108 9.625 5.526 0.707 1.00 0.00 H new ATOM 995 N ARG A 109 0.973 9.703 0.872 1.00 0.00 N ATOM 996 CA ARG A 109 -0.276 10.290 1.410 1.00 0.00 C ATOM 997 C ARG A 109 -1.286 9.231 1.869 1.00 0.00 C ATOM 998 O ARG A 109 -1.953 9.413 2.888 1.00 0.00 O ATOM 999 CB ARG A 109 -0.923 11.209 0.361 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.168 12.541 0.209 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.810 13.445 -0.852 1.00 0.00 C ATOM 1002 NE ARG A 109 -2.217 13.776 -0.515 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.675 14.851 0.106 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -1.892 15.810 0.509 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -3.950 14.978 0.340 1.00 0.00 N ATOM 0 H ARG A 109 1.046 9.751 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 109 0.003 10.868 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.950 10.697 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.956 11.409 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.152 13.061 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.869 12.342 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.232 14.365 -0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.776 12.949 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.917 13.090 -0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -0.886 15.748 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.284 16.623 0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.598 14.248 0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.300 15.808 0.819 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.382 8.133 1.119 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.423 7.108 1.224 1.00 0.00 C ATOM 1021 C TYR A 110 -1.786 5.696 1.228 1.00 0.00 C ATOM 1022 O TYR A 110 -1.733 5.024 0.192 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.418 7.312 0.066 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.910 8.732 -0.158 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.729 9.368 0.795 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.567 9.408 -1.343 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.223 10.664 0.549 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.078 10.694 -1.605 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.914 11.324 -0.658 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.395 12.577 -0.897 1.00 0.00 O ATOM 0 H TYR A 110 -0.704 7.923 0.386 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.968 7.199 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.948 6.964 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.284 6.674 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -4.979 8.861 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.907 8.938 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.841 11.154 1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.831 11.197 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.086 12.884 -1.775 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.268 5.222 2.382 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.437 4.012 2.455 1.00 0.00 C ATOM 1042 C PRO A 111 -1.183 2.700 2.160 1.00 0.00 C ATOM 1043 O PRO A 111 -0.545 1.672 1.925 1.00 0.00 O ATOM 1044 CB PRO A 111 0.173 4.030 3.863 1.00 0.00 C ATOM 1045 CG PRO A 111 -0.844 4.817 4.684 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.338 5.862 3.687 1.00 0.00 C ATOM 0 HA PRO A 111 0.320 4.033 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.310 3.022 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.152 4.510 3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.655 4.182 5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.389 5.277 5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.357 6.172 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.717 6.758 3.718 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.521 2.720 2.121 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.353 1.561 1.787 1.00 0.00 C ATOM 1056 C HIS A 112 -3.433 1.252 0.279 1.00 0.00 C ATOM 1057 O HIS A 112 -3.956 0.195 -0.083 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.741 1.745 2.423 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.574 2.840 1.803 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.296 4.210 1.854 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.683 2.641 1.034 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.257 4.800 1.126 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.109 3.887 0.630 1.00 0.00 N ATOM 0 H HIS A 112 -3.064 3.559 2.325 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.872 0.677 2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.288 0.805 2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.615 1.959 3.484 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.138 1.692 0.790 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.335 5.865 0.961 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.928 4.083 0.055 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.914 2.124 -0.605 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.986 1.908 -2.061 1.00 0.00 C ATOM 1073 C LEU A 113 -1.954 0.890 -2.581 1.00 0.00 C ATOM 1074 O LEU A 113 -2.323 0.110 -3.461 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.936 3.242 -2.845 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.282 3.982 -3.008 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.342 3.172 -3.745 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.886 4.339 -1.669 1.00 0.00 C ATOM 0 H LEU A 113 -2.440 2.986 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.961 1.457 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.235 3.909 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.531 3.043 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.026 4.868 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.259 3.756 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.983 2.928 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.543 2.251 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.832 4.858 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.061 3.429 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.201 4.987 -1.122 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.727 0.862 -2.022 1.00 0.00 N ATOM 1091 CA ARG A 114 0.323 -0.163 -2.244 1.00 0.00 C ATOM 1092 C ARG A 114 0.692 -0.412 -3.721 1.00 0.00 C ATOM 1093 O ARG A 114 1.737 0.106 -4.168 1.00 0.00 O ATOM 1094 CB ARG A 114 -0.048 -1.441 -1.459 1.00 0.00 C ATOM 1095 CG ARG A 114 1.117 -2.406 -1.164 1.00 0.00 C ATOM 1096 CD ARG A 114 1.668 -3.141 -2.392 1.00 0.00 C ATOM 1097 NE ARG A 114 2.640 -4.183 -2.006 1.00 0.00 N ATOM 1098 CZ ARG A 114 2.395 -5.453 -1.731 1.00 0.00 C ATOM 1099 NH1 ARG A 114 1.192 -5.956 -1.761 1.00 0.00 N ATOM 1100 NH2 ARG A 114 3.370 -6.253 -1.413 1.00 0.00 N ATOM 1101 OXT ARG A 114 -0.012 -1.125 -4.471 1.00 0.00 O ATOM 0 H ARG A 114 -0.423 1.587 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 114 1.259 0.231 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -0.499 -1.145 -0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -0.810 -1.982 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.928 -1.844 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.783 -3.145 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.846 -3.595 -2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.146 -2.426 -3.062 1.00 0.00 H new ATOM 0 HE ARG A 114 3.615 -3.889 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.398 -5.364 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.046 -6.941 -1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.327 -5.901 -1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.178 -7.232 -1.201 1.00 0.00 H new