USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=6 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= -0.144 K(o=-0.14,f=-0.71) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.486 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -173:sc= 0 (180deg=-0.159) USER MOD Single : A 102 SER OG : rot 180:sc= 0.112 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -1.03 K(o=-1,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 218 N ALA A 61 -13.114 11.510 -8.518 1.00 0.00 N ATOM 219 CA ALA A 61 -12.476 10.614 -7.548 1.00 0.00 C ATOM 220 C ALA A 61 -13.464 10.072 -6.502 1.00 0.00 C ATOM 221 O ALA A 61 -14.318 10.813 -6.005 1.00 0.00 O ATOM 222 CB ALA A 61 -11.337 11.355 -6.847 1.00 0.00 C ATOM 0 HA ALA A 61 -12.092 9.756 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.861 10.691 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.602 11.675 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.735 12.228 -6.330 1.00 0.00 H new ATOM 228 N ALA A 62 -13.299 8.804 -6.114 1.00 0.00 N ATOM 229 CA ALA A 62 -14.090 8.139 -5.082 1.00 0.00 C ATOM 230 C ALA A 62 -13.354 7.911 -3.751 1.00 0.00 C ATOM 231 O ALA A 62 -12.131 7.776 -3.706 1.00 0.00 O ATOM 232 CB ALA A 62 -14.676 6.837 -5.649 1.00 0.00 C ATOM 0 H ALA A 62 -12.589 8.196 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.897 8.822 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.267 6.339 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.312 7.066 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.865 6.181 -5.966 1.00 0.00 H new ATOM 238 N LEU A 63 -14.129 7.854 -2.661 1.00 0.00 N ATOM 239 CA LEU A 63 -13.653 7.687 -1.282 1.00 0.00 C ATOM 240 C LEU A 63 -14.300 6.472 -0.597 1.00 0.00 C ATOM 241 O LEU A 63 -15.460 6.141 -0.858 1.00 0.00 O ATOM 242 CB LEU A 63 -13.959 8.955 -0.457 1.00 0.00 C ATOM 243 CG LEU A 63 -13.337 10.267 -0.967 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.768 11.423 -0.065 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.812 10.213 -0.967 1.00 0.00 C ATOM 0 H LEU A 63 -15.145 7.926 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.577 7.521 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.041 9.083 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.618 8.789 0.565 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.685 10.413 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.327 12.351 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.855 11.509 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.431 11.235 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.414 11.159 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.454 10.038 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.477 9.403 -1.615 1.00 0.00 H new ATOM 257 N HIS A 64 -13.577 5.858 0.341 1.00 0.00 N ATOM 258 CA HIS A 64 -14.141 4.907 1.307 1.00 0.00 C ATOM 259 C HIS A 64 -15.072 5.637 2.288 1.00 0.00 C ATOM 260 O HIS A 64 -14.686 6.659 2.860 1.00 0.00 O ATOM 261 CB HIS A 64 -13.005 4.220 2.074 1.00 0.00 C ATOM 262 CG HIS A 64 -12.190 3.246 1.260 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.608 1.966 0.886 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.910 3.441 0.826 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.565 1.419 0.240 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.531 2.278 0.196 1.00 0.00 N ATOM 0 H HIS A 64 -12.574 6.007 0.455 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.720 4.155 0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.339 4.986 2.472 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.429 3.692 2.928 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.313 4.332 0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.558 0.426 -0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.622 2.098 -0.231 1.00 0.00 H new ATOM 274 N ALA A 65 -16.279 5.109 2.511 1.00 0.00 N ATOM 275 CA ALA A 65 -17.300 5.750 3.355 1.00 0.00 C ATOM 276 C ALA A 65 -17.288 5.288 4.830 1.00 0.00 C ATOM 277 O ALA A 65 -17.847 5.967 5.693 1.00 0.00 O ATOM 278 CB ALA A 65 -18.664 5.503 2.698 1.00 0.00 C ATOM 0 H ALA A 65 -16.580 4.220 2.111 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.077 6.815 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.447 5.966 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.670 5.937 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.846 4.430 2.629 1.00 0.00 H new ATOM 284 N GLU A 66 -16.667 4.140 5.130 1.00 0.00 N ATOM 285 CA GLU A 66 -16.672 3.499 6.456 1.00 0.00 C ATOM 286 C GLU A 66 -15.394 2.677 6.731 1.00 0.00 C ATOM 287 O GLU A 66 -14.601 2.404 5.821 1.00 0.00 O ATOM 288 CB GLU A 66 -17.941 2.636 6.613 1.00 0.00 C ATOM 289 CG GLU A 66 -18.018 1.459 5.633 1.00 0.00 C ATOM 290 CD GLU A 66 -19.313 0.653 5.848 1.00 0.00 C ATOM 291 OE1 GLU A 66 -19.320 -0.282 6.683 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.337 0.944 5.179 1.00 0.00 O ATOM 0 H GLU A 66 -16.131 3.615 4.439 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.682 4.291 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.983 2.251 7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.818 3.269 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.981 1.830 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.153 0.810 5.769 1.00 0.00 H new ATOM 299 N GLY A 67 -15.193 2.276 7.992 1.00 0.00 N ATOM 300 CA GLY A 67 -14.047 1.462 8.426 1.00 0.00 C ATOM 301 C GLY A 67 -12.717 2.234 8.535 1.00 0.00 C ATOM 302 O GLY A 67 -12.706 3.468 8.453 1.00 0.00 O ATOM 0 H GLY A 67 -15.831 2.511 8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.277 1.022 9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.917 0.638 7.725 1.00 0.00 H new ATOM 306 N PRO A 68 -11.574 1.533 8.702 1.00 0.00 N ATOM 307 CA PRO A 68 -10.256 2.145 8.944 1.00 0.00 C ATOM 308 C PRO A 68 -9.812 3.149 7.870 1.00 0.00 C ATOM 309 O PRO A 68 -9.054 4.079 8.160 1.00 0.00 O ATOM 310 CB PRO A 68 -9.263 0.975 9.000 1.00 0.00 C ATOM 311 CG PRO A 68 -10.002 -0.210 8.385 1.00 0.00 C ATOM 312 CD PRO A 68 -11.459 0.080 8.722 1.00 0.00 C ATOM 0 HA PRO A 68 -10.302 2.728 9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.354 1.204 8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.963 0.762 10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.841 -0.271 7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.670 -1.157 8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.130 -0.378 7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.725 -0.323 9.699 1.00 0.00 H new ATOM 320 N LEU A 69 -10.279 2.960 6.631 1.00 0.00 N ATOM 321 CA LEU A 69 -9.921 3.771 5.466 1.00 0.00 C ATOM 322 C LEU A 69 -10.927 4.904 5.172 1.00 0.00 C ATOM 323 O LEU A 69 -10.771 5.612 4.178 1.00 0.00 O ATOM 324 CB LEU A 69 -9.732 2.820 4.270 1.00 0.00 C ATOM 325 CG LEU A 69 -8.622 1.757 4.423 1.00 0.00 C ATOM 326 CD1 LEU A 69 -8.595 0.871 3.181 1.00 0.00 C ATOM 327 CD2 LEU A 69 -7.246 2.380 4.641 1.00 0.00 C ATOM 0 H LEU A 69 -10.937 2.214 6.406 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.989 4.298 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.676 2.308 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.516 3.419 3.385 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.853 1.164 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.812 0.120 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.559 0.376 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.394 1.483 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.501 1.591 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.993 3.010 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.260 2.985 5.548 1.00 0.00 H new ATOM 339 N ALA A 70 -11.953 5.094 6.012 1.00 0.00 N ATOM 340 CA ALA A 70 -12.969 6.134 5.823 1.00 0.00 C ATOM 341 C ALA A 70 -12.349 7.523 5.545 1.00 0.00 C ATOM 342 O ALA A 70 -11.476 7.991 6.284 1.00 0.00 O ATOM 343 CB ALA A 70 -13.887 6.185 7.049 1.00 0.00 C ATOM 0 H ALA A 70 -12.101 4.526 6.846 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.552 5.872 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.642 6.959 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.377 5.220 7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.297 6.413 7.936 1.00 0.00 H new ATOM 349 N GLY A 71 -12.811 8.180 4.474 1.00 0.00 N ATOM 350 CA GLY A 71 -12.297 9.473 4.009 1.00 0.00 C ATOM 351 C GLY A 71 -11.154 9.413 2.991 1.00 0.00 C ATOM 352 O GLY A 71 -10.745 10.464 2.496 1.00 0.00 O ATOM 0 H GLY A 71 -13.569 7.819 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.122 10.032 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.956 10.039 4.876 1.00 0.00 H new ATOM 356 N LEU A 72 -10.631 8.223 2.675 1.00 0.00 N ATOM 357 CA LEU A 72 -9.448 8.046 1.823 1.00 0.00 C ATOM 358 C LEU A 72 -9.815 7.503 0.418 1.00 0.00 C ATOM 359 O LEU A 72 -10.859 6.861 0.283 1.00 0.00 O ATOM 360 CB LEU A 72 -8.463 7.133 2.577 1.00 0.00 C ATOM 361 CG LEU A 72 -8.104 7.532 4.024 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.043 6.564 4.545 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.566 8.960 4.134 1.00 0.00 C ATOM 0 H LEU A 72 -11.023 7.342 3.009 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.976 9.010 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.882 6.127 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.539 7.082 2.001 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.019 7.486 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.777 6.832 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.437 5.548 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.157 6.621 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.332 9.181 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.663 9.056 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.319 9.661 3.775 1.00 0.00 H new ATOM 375 N PRO A 73 -8.991 7.725 -0.633 1.00 0.00 N ATOM 376 CA PRO A 73 -9.242 7.231 -1.998 1.00 0.00 C ATOM 377 C PRO A 73 -9.410 5.715 -2.059 1.00 0.00 C ATOM 378 O PRO A 73 -8.692 4.976 -1.388 1.00 0.00 O ATOM 379 CB PRO A 73 -8.050 7.684 -2.850 1.00 0.00 C ATOM 380 CG PRO A 73 -6.943 7.920 -1.825 1.00 0.00 C ATOM 381 CD PRO A 73 -7.703 8.408 -0.598 1.00 0.00 C ATOM 0 HA PRO A 73 -10.182 7.638 -2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.766 6.924 -3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.279 8.591 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.386 7.007 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.223 8.660 -2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.160 8.173 0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.833 9.490 -0.623 1.00 0.00 H new ATOM 389 N VAL A 74 -10.322 5.243 -2.909 1.00 0.00 N ATOM 390 CA VAL A 74 -10.499 3.802 -3.146 1.00 0.00 C ATOM 391 C VAL A 74 -9.412 3.264 -4.086 1.00 0.00 C ATOM 392 O VAL A 74 -8.974 2.123 -3.919 1.00 0.00 O ATOM 393 CB VAL A 74 -11.926 3.480 -3.634 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.167 1.971 -3.750 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.979 4.012 -2.652 1.00 0.00 C ATOM 0 H VAL A 74 -10.953 5.836 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.379 3.282 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.017 3.956 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.184 1.791 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.460 1.543 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.028 1.504 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.976 3.771 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.832 3.550 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.878 5.093 -2.561 1.00 0.00 H new ATOM 405 N THR A 75 -8.927 4.082 -5.030 1.00 0.00 N ATOM 406 CA THR A 75 -7.959 3.677 -6.071 1.00 0.00 C ATOM 407 C THR A 75 -6.809 4.676 -6.252 1.00 0.00 C ATOM 408 O THR A 75 -6.870 5.819 -5.794 1.00 0.00 O ATOM 409 CB THR A 75 -8.663 3.433 -7.424 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.851 4.655 -8.108 1.00 0.00 O ATOM 411 CG2 THR A 75 -10.027 2.753 -7.290 1.00 0.00 C ATOM 0 H THR A 75 -9.198 5.063 -5.097 1.00 0.00 H new ATOM 0 HA THR A 75 -7.520 2.744 -5.719 1.00 0.00 H new ATOM 0 HB THR A 75 -8.005 2.764 -7.979 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.297 4.485 -8.964 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.463 2.613 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.904 1.783 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.687 3.377 -6.688 1.00 0.00 H new ATOM 419 N ARG A 76 -5.749 4.263 -6.965 1.00 0.00 N ATOM 420 CA ARG A 76 -4.623 5.149 -7.337 1.00 0.00 C ATOM 421 C ARG A 76 -5.092 6.294 -8.244 1.00 0.00 C ATOM 422 O ARG A 76 -4.660 7.428 -8.062 1.00 0.00 O ATOM 423 CB ARG A 76 -3.498 4.325 -8.003 1.00 0.00 C ATOM 424 CG ARG A 76 -2.863 3.318 -7.030 1.00 0.00 C ATOM 425 CD ARG A 76 -1.794 2.455 -7.708 1.00 0.00 C ATOM 426 NE ARG A 76 -1.270 1.428 -6.782 1.00 0.00 N ATOM 427 CZ ARG A 76 -0.349 0.520 -7.039 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.218 0.403 -8.206 1.00 0.00 N ATOM 429 NH2 ARG A 76 0.019 -0.289 -6.095 1.00 0.00 N ATOM 0 H ARG A 76 -5.644 3.306 -7.302 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.225 5.603 -6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.901 3.791 -8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.729 5.000 -8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.417 3.855 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.640 2.674 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.217 1.972 -8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.977 3.088 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.664 1.421 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.046 1.029 -8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.926 -0.315 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.403 -0.218 -5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.730 -0.997 -6.278 1.00 0.00 H new ATOM 443 N SER A 77 -6.047 6.026 -9.134 1.00 0.00 N ATOM 444 CA SER A 77 -6.694 7.040 -9.977 1.00 0.00 C ATOM 445 C SER A 77 -7.506 8.039 -9.145 1.00 0.00 C ATOM 446 O SER A 77 -7.392 9.244 -9.372 1.00 0.00 O ATOM 447 CB SER A 77 -7.596 6.377 -11.027 1.00 0.00 C ATOM 448 OG SER A 77 -6.848 5.453 -11.806 1.00 0.00 O ATOM 0 H SER A 77 -6.401 5.083 -9.295 1.00 0.00 H new ATOM 0 HA SER A 77 -5.901 7.591 -10.483 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.422 5.864 -10.535 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.033 7.138 -11.673 1.00 0.00 H new ATOM 0 HG SER A 77 -7.435 5.035 -12.471 1.00 0.00 H new ATOM 454 N ASP A 78 -8.243 7.582 -8.123 1.00 0.00 N ATOM 455 CA ASP A 78 -8.918 8.490 -7.188 1.00 0.00 C ATOM 456 C ASP A 78 -7.898 9.374 -6.472 1.00 0.00 C ATOM 457 O ASP A 78 -8.070 10.582 -6.434 1.00 0.00 O ATOM 458 CB ASP A 78 -9.762 7.751 -6.137 1.00 0.00 C ATOM 459 CG ASP A 78 -10.855 6.851 -6.711 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.503 7.240 -7.713 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.126 5.813 -6.070 1.00 0.00 O ATOM 0 H ASP A 78 -8.386 6.592 -7.924 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.593 9.098 -7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.099 7.145 -5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.225 8.487 -5.480 1.00 0.00 H new ATOM 466 N ALA A 79 -6.796 8.808 -5.971 1.00 0.00 N ATOM 467 CA ALA A 79 -5.750 9.562 -5.279 1.00 0.00 C ATOM 468 C ALA A 79 -5.098 10.643 -6.169 1.00 0.00 C ATOM 469 O ALA A 79 -4.989 11.801 -5.760 1.00 0.00 O ATOM 470 CB ALA A 79 -4.730 8.549 -4.748 1.00 0.00 C ATOM 0 H ALA A 79 -6.605 7.808 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.188 10.122 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.932 9.076 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.223 7.862 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.308 7.987 -5.581 1.00 0.00 H new ATOM 476 N ARG A 80 -4.742 10.299 -7.415 1.00 0.00 N ATOM 477 CA ARG A 80 -4.217 11.239 -8.432 1.00 0.00 C ATOM 478 C ARG A 80 -5.202 12.387 -8.688 1.00 0.00 C ATOM 479 O ARG A 80 -4.815 13.554 -8.657 1.00 0.00 O ATOM 480 CB ARG A 80 -3.922 10.472 -9.741 1.00 0.00 C ATOM 481 CG ARG A 80 -2.780 9.438 -9.627 1.00 0.00 C ATOM 482 CD ARG A 80 -1.433 9.950 -10.150 1.00 0.00 C ATOM 483 NE ARG A 80 -1.423 10.034 -11.627 1.00 0.00 N ATOM 484 CZ ARG A 80 -0.392 10.340 -12.398 1.00 0.00 C ATOM 485 NH1 ARG A 80 0.756 10.708 -11.907 1.00 0.00 N ATOM 486 NH2 ARG A 80 -0.497 10.275 -13.694 1.00 0.00 N ATOM 0 H ARG A 80 -4.810 9.341 -7.757 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.293 11.678 -8.057 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.830 9.960 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.670 11.191 -10.521 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.668 9.147 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.057 8.541 -10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.227 10.933 -9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.636 9.286 -9.817 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.304 9.835 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.883 10.768 -10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.529 10.936 -12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.378 9.987 -14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.301 10.512 -14.283 1.00 0.00 H new ATOM 500 N VAL A 81 -6.487 12.067 -8.864 1.00 0.00 N ATOM 501 CA VAL A 81 -7.549 13.057 -9.127 1.00 0.00 C ATOM 502 C VAL A 81 -7.907 13.879 -7.878 1.00 0.00 C ATOM 503 O VAL A 81 -8.178 15.069 -8.014 1.00 0.00 O ATOM 504 CB VAL A 81 -8.772 12.372 -9.774 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.981 13.305 -9.930 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.421 11.870 -11.183 1.00 0.00 C ATOM 0 H VAL A 81 -6.828 11.106 -8.829 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.166 13.784 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.034 11.557 -9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.804 12.760 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.290 13.668 -8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.708 14.151 -10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.293 11.390 -11.626 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.116 12.712 -11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.604 11.151 -11.120 1.00 0.00 H new ATOM 516 N LEU A 82 -7.828 13.327 -6.662 1.00 0.00 N ATOM 517 CA LEU A 82 -7.958 14.103 -5.418 1.00 0.00 C ATOM 518 C LEU A 82 -6.840 15.149 -5.304 1.00 0.00 C ATOM 519 O LEU A 82 -7.139 16.316 -5.056 1.00 0.00 O ATOM 520 CB LEU A 82 -7.945 13.179 -4.182 1.00 0.00 C ATOM 521 CG LEU A 82 -9.216 12.338 -3.948 1.00 0.00 C ATOM 522 CD1 LEU A 82 -8.943 11.354 -2.812 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.437 13.179 -3.582 1.00 0.00 C ATOM 0 H LEU A 82 -7.672 12.331 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.917 14.620 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.097 12.500 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.772 13.792 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.445 11.829 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.832 10.750 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.112 10.704 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.690 11.905 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.297 12.526 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.236 13.732 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.651 13.880 -4.389 1.00 0.00 H new ATOM 535 N ILE A 83 -5.575 14.773 -5.546 1.00 0.00 N ATOM 536 CA ILE A 83 -4.458 15.740 -5.523 1.00 0.00 C ATOM 537 C ILE A 83 -4.637 16.803 -6.621 1.00 0.00 C ATOM 538 O ILE A 83 -4.429 17.989 -6.367 1.00 0.00 O ATOM 539 CB ILE A 83 -3.080 15.044 -5.633 1.00 0.00 C ATOM 540 CG1 ILE A 83 -2.843 14.079 -4.444 1.00 0.00 C ATOM 541 CG2 ILE A 83 -1.969 16.117 -5.677 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.706 13.075 -4.684 1.00 0.00 C ATOM 0 H ILE A 83 -5.297 13.815 -5.759 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.480 16.240 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.059 14.454 -6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.618 14.663 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.764 13.531 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.997 15.631 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.121 16.763 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.004 16.715 -4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.598 12.432 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.938 12.465 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.774 13.614 -4.855 1.00 0.00 H new ATOM 554 N PHE A 84 -5.069 16.402 -7.822 1.00 0.00 N ATOM 555 CA PHE A 84 -5.362 17.331 -8.916 1.00 0.00 C ATOM 556 C PHE A 84 -6.463 18.346 -8.548 1.00 0.00 C ATOM 557 O PHE A 84 -6.262 19.553 -8.685 1.00 0.00 O ATOM 558 CB PHE A 84 -5.762 16.521 -10.158 1.00 0.00 C ATOM 559 CG PHE A 84 -6.149 17.315 -11.396 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.670 18.620 -11.617 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.007 16.728 -12.345 1.00 0.00 C ATOM 562 CE1 PHE A 84 -6.030 19.326 -12.773 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.372 17.434 -13.506 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.878 18.730 -13.724 1.00 0.00 C ATOM 0 H PHE A 84 -5.225 15.423 -8.062 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.464 17.914 -9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.931 15.867 -10.420 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.601 15.879 -9.890 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.019 19.081 -10.889 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.387 15.730 -12.181 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.657 20.327 -12.933 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.032 16.979 -14.230 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.149 19.268 -14.620 1.00 0.00 H new ATOM 574 N ASN A 85 -7.609 17.878 -8.048 1.00 0.00 N ATOM 575 CA ASN A 85 -8.725 18.755 -7.701 1.00 0.00 C ATOM 576 C ASN A 85 -8.375 19.673 -6.507 1.00 0.00 C ATOM 577 O ASN A 85 -8.677 20.869 -6.532 1.00 0.00 O ATOM 578 CB ASN A 85 -9.957 17.878 -7.419 1.00 0.00 C ATOM 579 CG ASN A 85 -11.240 18.677 -7.212 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.408 19.796 -7.676 1.00 0.00 O ATOM 581 ND2 ASN A 85 -12.205 18.110 -6.519 1.00 0.00 N ATOM 0 H ASN A 85 -7.787 16.889 -7.874 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.944 19.424 -8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.099 17.187 -8.250 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.768 17.274 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.085 18.604 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.072 17.177 -6.129 1.00 0.00 H new ATOM 588 N GLU A 86 -7.666 19.143 -5.499 1.00 0.00 N ATOM 589 CA GLU A 86 -7.118 19.927 -4.384 1.00 0.00 C ATOM 590 C GLU A 86 -6.199 21.048 -4.892 1.00 0.00 C ATOM 591 O GLU A 86 -6.428 22.214 -4.563 1.00 0.00 O ATOM 592 CB GLU A 86 -6.358 18.997 -3.421 1.00 0.00 C ATOM 593 CG GLU A 86 -5.814 19.717 -2.181 1.00 0.00 C ATOM 594 CD GLU A 86 -4.843 18.800 -1.417 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.284 17.822 -0.769 1.00 0.00 O ATOM 596 OE2 GLU A 86 -3.612 19.020 -1.474 1.00 0.00 O ATOM 0 H GLU A 86 -7.455 18.147 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.945 20.396 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.023 18.194 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.529 18.532 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.303 20.633 -2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.638 20.009 -1.530 1.00 0.00 H new ATOM 603 N TRP A 87 -5.202 20.722 -5.729 1.00 0.00 N ATOM 604 CA TRP A 87 -4.367 21.717 -6.387 1.00 0.00 C ATOM 605 C TRP A 87 -5.198 22.770 -7.125 1.00 0.00 C ATOM 606 O TRP A 87 -4.904 23.948 -6.978 1.00 0.00 O ATOM 607 CB TRP A 87 -3.396 21.050 -7.367 1.00 0.00 C ATOM 608 CG TRP A 87 -2.715 22.037 -8.261 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.649 22.786 -7.912 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.111 22.505 -9.590 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.348 23.670 -8.927 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.225 23.553 -9.981 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.148 22.175 -10.491 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.351 24.235 -11.199 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.294 22.862 -11.713 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.399 23.887 -12.068 1.00 0.00 C ATOM 0 H TRP A 87 -4.959 19.760 -5.963 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.802 22.221 -5.603 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.645 20.494 -6.807 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.939 20.327 -7.976 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.112 22.706 -6.978 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.571 24.330 -8.900 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.839 21.384 -10.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.654 25.016 -11.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.100 22.599 -12.382 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.517 24.406 -13.008 1.00 0.00 H new ATOM 627 N GLU A 88 -6.225 22.388 -7.885 1.00 0.00 N ATOM 628 CA GLU A 88 -6.978 23.342 -8.701 1.00 0.00 C ATOM 629 C GLU A 88 -7.813 24.323 -7.855 1.00 0.00 C ATOM 630 O GLU A 88 -7.799 25.526 -8.125 1.00 0.00 O ATOM 631 CB GLU A 88 -7.821 22.587 -9.736 1.00 0.00 C ATOM 632 CG GLU A 88 -8.131 23.450 -10.964 1.00 0.00 C ATOM 633 CD GLU A 88 -9.268 24.475 -10.755 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.337 24.112 -10.202 1.00 0.00 O ATOM 635 OE2 GLU A 88 -9.127 25.636 -11.211 1.00 0.00 O ATOM 0 H GLU A 88 -6.555 21.425 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.264 23.970 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.290 21.688 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.754 22.262 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.226 23.984 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.396 22.796 -11.795 1.00 0.00 H new ATOM 642 N GLU A 89 -8.461 23.861 -6.778 1.00 0.00 N ATOM 643 CA GLU A 89 -9.156 24.745 -5.828 1.00 0.00 C ATOM 644 C GLU A 89 -8.183 25.697 -5.108 1.00 0.00 C ATOM 645 O GLU A 89 -8.417 26.912 -5.042 1.00 0.00 O ATOM 646 CB GLU A 89 -9.945 23.921 -4.797 1.00 0.00 C ATOM 647 CG GLU A 89 -11.153 23.201 -5.409 1.00 0.00 C ATOM 648 CD GLU A 89 -11.976 22.489 -4.317 1.00 0.00 C ATOM 649 OE1 GLU A 89 -11.555 21.415 -3.819 1.00 0.00 O ATOM 650 OE2 GLU A 89 -13.056 23.006 -3.939 1.00 0.00 O ATOM 0 H GLU A 89 -8.519 22.871 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.850 25.354 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.282 23.185 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.287 24.579 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.782 23.919 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.814 22.474 -6.147 1.00 0.00 H new ATOM 657 N ARG A 90 -7.045 25.169 -4.628 1.00 0.00 N ATOM 658 CA ARG A 90 -5.973 25.979 -4.024 1.00 0.00 C ATOM 659 C ARG A 90 -5.465 27.020 -5.012 1.00 0.00 C ATOM 660 O ARG A 90 -5.494 28.197 -4.695 1.00 0.00 O ATOM 661 CB ARG A 90 -4.804 25.088 -3.604 1.00 0.00 C ATOM 662 CG ARG A 90 -5.127 24.135 -2.455 1.00 0.00 C ATOM 663 CD ARG A 90 -5.004 24.802 -1.079 1.00 0.00 C ATOM 664 NE ARG A 90 -5.339 23.854 0.006 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.370 24.118 1.301 1.00 0.00 C ATOM 666 NH1 ARG A 90 -5.079 25.296 1.778 1.00 0.00 N ATOM 667 NH2 ARG A 90 -5.696 23.191 2.155 1.00 0.00 N ATOM 0 H ARG A 90 -6.842 24.170 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.387 26.480 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.478 24.504 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.966 25.721 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.140 23.753 -2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.455 23.278 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.988 25.173 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.668 25.665 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.569 22.900 -0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.816 26.052 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.114 25.462 2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.930 22.254 1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.718 23.402 3.153 1.00 0.00 H new ATOM 681 N LYS A 91 -5.098 26.594 -6.220 1.00 0.00 N ATOM 682 CA LYS A 91 -4.704 27.441 -7.369 1.00 0.00 C ATOM 683 C LYS A 91 -5.723 28.556 -7.655 1.00 0.00 C ATOM 684 O LYS A 91 -5.319 29.688 -7.921 1.00 0.00 O ATOM 685 CB LYS A 91 -4.426 26.552 -8.607 1.00 0.00 C ATOM 686 CG LYS A 91 -4.215 27.306 -9.935 1.00 0.00 C ATOM 687 CD LYS A 91 -5.511 27.402 -10.765 1.00 0.00 C ATOM 688 CE LYS A 91 -5.426 28.446 -11.889 1.00 0.00 C ATOM 689 NZ LYS A 91 -4.609 27.989 -13.048 1.00 0.00 N ATOM 0 H LYS A 91 -5.062 25.600 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.780 27.959 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.540 25.949 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.260 25.861 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.845 28.310 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.448 26.799 -10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.732 26.426 -11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.341 27.653 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.433 28.684 -12.233 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.999 29.366 -11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.588 28.734 -13.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.639 27.787 -12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.029 27.126 -13.450 1.00 0.00 H new ATOM 703 N LYS A 92 -7.031 28.280 -7.570 1.00 0.00 N ATOM 704 CA LYS A 92 -8.095 29.272 -7.764 1.00 0.00 C ATOM 705 C LYS A 92 -8.141 30.292 -6.613 1.00 0.00 C ATOM 706 O LYS A 92 -8.404 31.471 -6.859 1.00 0.00 O ATOM 707 CB LYS A 92 -9.400 28.491 -8.020 1.00 0.00 C ATOM 708 CG LYS A 92 -10.702 29.307 -7.985 1.00 0.00 C ATOM 709 CD LYS A 92 -11.321 29.310 -6.580 1.00 0.00 C ATOM 710 CE LYS A 92 -12.629 30.115 -6.583 1.00 0.00 C ATOM 711 NZ LYS A 92 -13.286 30.121 -5.244 1.00 0.00 N ATOM 0 H LYS A 92 -7.384 27.346 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.911 29.904 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.325 28.010 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.474 27.697 -7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.500 30.331 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.414 28.890 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.515 28.287 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.620 29.742 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.423 31.140 -6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.312 29.693 -7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.165 30.675 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.507 29.145 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.645 30.547 -4.545 1.00 0.00 H new ATOM 725 N SER A 93 -7.835 29.873 -5.381 1.00 0.00 N ATOM 726 CA SER A 93 -7.708 30.780 -4.221 1.00 0.00 C ATOM 727 C SER A 93 -6.369 31.556 -4.168 1.00 0.00 C ATOM 728 O SER A 93 -6.342 32.739 -3.818 1.00 0.00 O ATOM 729 CB SER A 93 -7.904 29.967 -2.937 1.00 0.00 C ATOM 730 OG SER A 93 -8.205 30.829 -1.848 1.00 0.00 O ATOM 0 H SER A 93 -7.667 28.893 -5.153 1.00 0.00 H new ATOM 0 HA SER A 93 -8.480 31.543 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.711 29.247 -3.074 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.002 29.396 -2.719 1.00 0.00 H new ATOM 0 HG SER A 93 -8.329 30.297 -1.034 1.00 0.00 H new ATOM 736 N ASP A 94 -5.259 30.913 -4.547 1.00 0.00 N ATOM 737 CA ASP A 94 -3.862 31.348 -4.438 1.00 0.00 C ATOM 738 C ASP A 94 -3.014 30.660 -5.545 1.00 0.00 C ATOM 739 O ASP A 94 -2.759 29.454 -5.472 1.00 0.00 O ATOM 740 CB ASP A 94 -3.301 30.965 -3.055 1.00 0.00 C ATOM 741 CG ASP A 94 -3.803 31.883 -1.928 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.431 33.082 -1.917 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.513 31.399 -1.014 1.00 0.00 O ATOM 0 H ASP A 94 -5.322 29.990 -4.977 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.815 32.430 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.579 29.936 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.212 31.001 -3.088 1.00 0.00 H new ATOM 748 N PRO A 95 -2.553 31.388 -6.581 1.00 0.00 N ATOM 749 CA PRO A 95 -2.104 30.809 -7.861 1.00 0.00 C ATOM 750 C PRO A 95 -0.716 30.140 -7.868 1.00 0.00 C ATOM 751 O PRO A 95 -0.388 29.432 -8.823 1.00 0.00 O ATOM 752 CB PRO A 95 -2.150 31.981 -8.851 1.00 0.00 C ATOM 753 CG PRO A 95 -1.896 33.191 -7.953 1.00 0.00 C ATOM 754 CD PRO A 95 -2.697 32.826 -6.712 1.00 0.00 C ATOM 0 HA PRO A 95 -2.759 29.975 -8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.390 31.886 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.114 32.047 -9.356 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.837 33.322 -7.733 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.244 34.119 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.317 33.343 -5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.744 33.109 -6.821 1.00 0.00 H new ATOM 762 N TRP A 96 0.112 30.355 -6.840 1.00 0.00 N ATOM 763 CA TRP A 96 1.516 29.909 -6.791 1.00 0.00 C ATOM 764 C TRP A 96 1.722 28.380 -6.781 1.00 0.00 C ATOM 765 O TRP A 96 2.804 27.910 -7.144 1.00 0.00 O ATOM 766 CB TRP A 96 2.174 30.482 -5.526 1.00 0.00 C ATOM 767 CG TRP A 96 1.745 29.812 -4.253 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.536 29.950 -3.668 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.454 28.808 -3.462 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.452 29.127 -2.561 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.602 28.384 -2.397 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.719 28.189 -3.558 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.989 27.406 -1.470 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.118 27.202 -2.634 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.257 26.811 -1.592 1.00 0.00 C ATOM 0 H TRP A 96 -0.178 30.854 -5.999 1.00 0.00 H new ATOM 0 HA TRP A 96 1.968 30.274 -7.713 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.256 30.396 -5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.943 31.545 -5.460 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.249 30.606 -4.014 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.358 29.076 -1.943 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.392 28.476 -4.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.322 27.114 -0.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.091 26.743 -2.726 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.570 26.055 -0.887 1.00 0.00 H new ATOM 786 N LEU A 97 0.733 27.607 -6.308 1.00 0.00 N ATOM 787 CA LEU A 97 0.926 26.213 -5.901 1.00 0.00 C ATOM 788 C LEU A 97 1.303 25.287 -7.082 1.00 0.00 C ATOM 789 O LEU A 97 0.751 25.414 -8.178 1.00 0.00 O ATOM 790 CB LEU A 97 -0.355 25.743 -5.184 1.00 0.00 C ATOM 791 CG LEU A 97 -0.256 24.348 -4.534 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.726 24.317 -3.362 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.625 23.937 -4.014 1.00 0.00 C ATOM 0 H LEU A 97 -0.226 27.936 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 97 1.776 26.156 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.611 26.470 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.175 25.737 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 97 0.104 23.662 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.758 23.312 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.720 24.595 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.401 25.022 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.558 22.951 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.965 24.661 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.334 23.904 -4.842 1.00 0.00 H new ATOM 805 N ARG A 98 2.188 24.305 -6.847 1.00 0.00 N ATOM 806 CA ARG A 98 2.528 23.234 -7.811 1.00 0.00 C ATOM 807 C ARG A 98 1.589 22.023 -7.724 1.00 0.00 C ATOM 808 O ARG A 98 1.155 21.646 -6.636 1.00 0.00 O ATOM 809 CB ARG A 98 3.963 22.738 -7.585 1.00 0.00 C ATOM 810 CG ARG A 98 5.057 23.720 -8.028 1.00 0.00 C ATOM 811 CD ARG A 98 6.449 23.097 -7.828 1.00 0.00 C ATOM 812 NE ARG A 98 6.592 21.823 -8.567 1.00 0.00 N ATOM 813 CZ ARG A 98 7.145 21.606 -9.743 1.00 0.00 C ATOM 814 NH1 ARG A 98 7.750 22.544 -10.418 1.00 0.00 N ATOM 815 NH2 ARG A 98 7.088 20.415 -10.264 1.00 0.00 N ATOM 0 H ARG A 98 2.699 24.227 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 98 2.420 23.683 -8.798 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.096 22.521 -6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.097 21.799 -8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.916 23.982 -9.077 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.979 24.644 -7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.213 23.799 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.620 22.922 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 98 6.210 21.000 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.808 23.489 -10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.165 22.333 -11.326 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.619 19.661 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.513 20.236 -11.174 1.00 0.00 H new ATOM 829 N LEU A 99 1.359 21.359 -8.861 1.00 0.00 N ATOM 830 CA LEU A 99 0.718 20.038 -8.948 1.00 0.00 C ATOM 831 C LEU A 99 1.814 18.966 -9.155 1.00 0.00 C ATOM 832 O LEU A 99 2.400 18.873 -10.234 1.00 0.00 O ATOM 833 CB LEU A 99 -0.328 20.062 -10.090 1.00 0.00 C ATOM 834 CG LEU A 99 -1.450 18.998 -10.050 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.151 18.953 -11.409 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.966 17.593 -9.739 1.00 0.00 C ATOM 0 H LEU A 99 1.620 21.734 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 99 0.187 19.788 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.797 21.046 -10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.203 19.956 -11.036 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.117 19.302 -9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.943 18.204 -11.385 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.582 19.930 -11.629 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.429 18.693 -12.183 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.815 16.909 -9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.253 17.277 -10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.482 17.583 -8.763 1.00 0.00 H new ATOM 848 N ASP A 100 2.086 18.154 -8.129 1.00 0.00 N ATOM 849 CA ASP A 100 2.996 16.993 -8.191 1.00 0.00 C ATOM 850 C ASP A 100 2.323 15.760 -7.552 1.00 0.00 C ATOM 851 O ASP A 100 1.899 15.813 -6.396 1.00 0.00 O ATOM 852 CB ASP A 100 4.328 17.306 -7.486 1.00 0.00 C ATOM 853 CG ASP A 100 5.153 18.403 -8.182 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.714 18.161 -9.278 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.306 19.511 -7.618 1.00 0.00 O ATOM 0 H ASP A 100 1.672 18.284 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 100 3.210 16.775 -9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.123 17.613 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.924 16.395 -7.432 1.00 0.00 H new ATOM 860 N MET A 101 2.195 14.656 -8.306 1.00 0.00 N ATOM 861 CA MET A 101 1.492 13.436 -7.861 1.00 0.00 C ATOM 862 C MET A 101 2.004 12.151 -8.532 1.00 0.00 C ATOM 863 O MET A 101 1.284 11.456 -9.249 1.00 0.00 O ATOM 864 CB MET A 101 -0.042 13.617 -7.924 1.00 0.00 C ATOM 865 CG MET A 101 -0.651 14.396 -9.096 1.00 0.00 C ATOM 866 SD MET A 101 -0.848 13.523 -10.668 1.00 0.00 S ATOM 867 CE MET A 101 -2.063 14.611 -11.462 1.00 0.00 C ATOM 0 H MET A 101 2.578 14.582 -9.248 1.00 0.00 H new ATOM 0 HA MET A 101 1.739 13.291 -6.809 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.491 12.624 -7.920 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.353 14.111 -7.003 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.632 14.756 -8.786 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.030 15.274 -9.275 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.399 14.161 -12.396 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.916 14.749 -10.798 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.605 15.578 -11.669 1.00 0.00 H new ATOM 877 N SER A 102 3.266 11.815 -8.266 1.00 0.00 N ATOM 878 CA SER A 102 3.850 10.498 -8.568 1.00 0.00 C ATOM 879 C SER A 102 3.207 9.377 -7.742 1.00 0.00 C ATOM 880 O SER A 102 2.614 9.624 -6.691 1.00 0.00 O ATOM 881 CB SER A 102 5.359 10.547 -8.292 1.00 0.00 C ATOM 882 OG SER A 102 5.592 10.777 -6.907 1.00 0.00 O ATOM 0 H SER A 102 3.926 12.457 -7.828 1.00 0.00 H new ATOM 0 HA SER A 102 3.660 10.275 -9.618 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.824 9.609 -8.597 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.820 11.338 -8.883 1.00 0.00 H new ATOM 0 HG SER A 102 6.557 10.805 -6.738 1.00 0.00 H new ATOM 888 N ASP A 103 3.382 8.117 -8.150 1.00 0.00 N ATOM 889 CA ASP A 103 2.917 6.957 -7.368 1.00 0.00 C ATOM 890 C ASP A 103 3.453 6.989 -5.924 1.00 0.00 C ATOM 891 O ASP A 103 2.713 6.715 -4.979 1.00 0.00 O ATOM 892 CB ASP A 103 3.341 5.661 -8.071 1.00 0.00 C ATOM 893 CG ASP A 103 2.652 5.498 -9.435 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.490 5.026 -9.479 1.00 0.00 O ATOM 895 OD2 ASP A 103 3.276 5.837 -10.471 1.00 0.00 O ATOM 0 H ASP A 103 3.846 7.868 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 103 1.829 7.000 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.422 5.659 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.098 4.808 -7.437 1.00 0.00 H new ATOM 900 N LYS A 104 4.699 7.455 -5.735 1.00 0.00 N ATOM 901 CA LYS A 104 5.296 7.696 -4.409 1.00 0.00 C ATOM 902 C LYS A 104 4.546 8.772 -3.618 1.00 0.00 C ATOM 903 O LYS A 104 4.296 8.566 -2.435 1.00 0.00 O ATOM 904 CB LYS A 104 6.787 8.042 -4.549 1.00 0.00 C ATOM 905 CG LYS A 104 7.609 6.858 -5.086 1.00 0.00 C ATOM 906 CD LYS A 104 9.105 7.211 -5.146 1.00 0.00 C ATOM 907 CE LYS A 104 9.985 6.025 -5.568 1.00 0.00 C ATOM 908 NZ LYS A 104 9.817 5.656 -7.005 1.00 0.00 N ATOM 0 H LYS A 104 5.328 7.678 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 104 5.205 6.773 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.899 8.894 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.181 8.345 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.462 5.988 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.255 6.586 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.251 8.032 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.428 7.566 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.030 6.271 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.745 5.162 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.435 4.851 -7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.827 5.393 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.072 6.467 -7.604 1.00 0.00 H new ATOM 922 N ALA A 105 4.112 9.871 -4.244 1.00 0.00 N ATOM 923 CA ALA A 105 3.254 10.872 -3.598 1.00 0.00 C ATOM 924 C ALA A 105 1.915 10.274 -3.138 1.00 0.00 C ATOM 925 O ALA A 105 1.462 10.540 -2.021 1.00 0.00 O ATOM 926 CB ALA A 105 3.065 12.065 -4.541 1.00 0.00 C ATOM 0 H ALA A 105 4.345 10.092 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 105 3.746 11.223 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.428 12.809 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.035 12.508 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.597 11.727 -5.466 1.00 0.00 H new ATOM 932 N ILE A 106 1.324 9.399 -3.957 1.00 0.00 N ATOM 933 CA ILE A 106 0.062 8.723 -3.616 1.00 0.00 C ATOM 934 C ILE A 106 0.272 7.785 -2.434 1.00 0.00 C ATOM 935 O ILE A 106 -0.486 7.863 -1.473 1.00 0.00 O ATOM 936 CB ILE A 106 -0.565 8.026 -4.849 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.335 9.052 -5.705 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.549 6.896 -4.477 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.435 10.047 -6.432 1.00 0.00 C ATOM 0 H ILE A 106 1.701 9.139 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.667 9.471 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 106 0.269 7.589 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.939 8.518 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.025 9.601 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.952 6.450 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.026 6.133 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.365 7.305 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.049 10.736 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.150 10.608 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.237 9.509 -7.100 1.00 0.00 H new ATOM 951 N PHE A 107 1.318 6.959 -2.442 1.00 0.00 N ATOM 952 CA PHE A 107 1.556 6.022 -1.332 1.00 0.00 C ATOM 953 C PHE A 107 1.969 6.741 -0.031 1.00 0.00 C ATOM 954 O PHE A 107 1.619 6.287 1.059 1.00 0.00 O ATOM 955 CB PHE A 107 2.571 4.934 -1.708 1.00 0.00 C ATOM 956 CG PHE A 107 2.342 4.237 -3.035 1.00 0.00 C ATOM 957 CD1 PHE A 107 1.034 3.999 -3.493 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.438 3.814 -3.810 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.821 3.393 -4.737 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.223 3.181 -5.047 1.00 0.00 C ATOM 961 CZ PHE A 107 1.914 2.977 -5.517 1.00 0.00 C ATOM 0 H PHE A 107 2.008 6.915 -3.191 1.00 0.00 H new ATOM 0 HA PHE A 107 0.602 5.532 -1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.564 5.382 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.573 4.180 -0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.190 4.285 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.445 3.976 -3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.186 3.245 -5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.065 2.851 -5.637 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.749 2.503 -6.473 1.00 0.00 H new ATOM 971 N ARG A 108 2.659 7.890 -0.124 1.00 0.00 N ATOM 972 CA ARG A 108 3.031 8.731 1.028 1.00 0.00 C ATOM 973 C ARG A 108 1.829 9.439 1.664 1.00 0.00 C ATOM 974 O ARG A 108 1.766 9.509 2.893 1.00 0.00 O ATOM 975 CB ARG A 108 4.116 9.733 0.604 1.00 0.00 C ATOM 976 CG ARG A 108 5.496 9.060 0.489 1.00 0.00 C ATOM 977 CD ARG A 108 6.555 9.996 -0.108 1.00 0.00 C ATOM 978 NE ARG A 108 6.863 11.132 0.787 1.00 0.00 N ATOM 979 CZ ARG A 108 7.651 12.159 0.521 1.00 0.00 C ATOM 980 NH1 ARG A 108 8.271 12.283 -0.620 1.00 0.00 N ATOM 981 NH2 ARG A 108 7.837 13.094 1.410 1.00 0.00 N ATOM 0 H ARG A 108 2.980 8.267 -1.016 1.00 0.00 H new ATOM 0 HA ARG A 108 3.429 8.076 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 108 3.847 10.178 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.166 10.545 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.820 8.732 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 108 5.412 8.168 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 108 7.467 9.432 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 108 6.203 10.376 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 108 6.421 11.122 1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 108 8.155 11.573 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.871 13.090 -0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.373 13.035 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.446 13.884 1.199 1.00 0.00 H new ATOM 995 N ARG A 109 0.852 9.907 0.869 1.00 0.00 N ATOM 996 CA ARG A 109 -0.436 10.402 1.405 1.00 0.00 C ATOM 997 C ARG A 109 -1.343 9.273 1.911 1.00 0.00 C ATOM 998 O ARG A 109 -1.972 9.406 2.961 1.00 0.00 O ATOM 999 CB ARG A 109 -1.200 11.208 0.343 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.676 12.637 0.146 1.00 0.00 C ATOM 1001 CD ARG A 109 -1.706 13.418 -0.679 1.00 0.00 C ATOM 1002 NE ARG A 109 -1.330 14.838 -0.844 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.154 15.873 -0.895 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -3.439 15.757 -0.739 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -1.708 17.070 -1.116 1.00 0.00 N ATOM 0 H ARG A 109 0.926 9.955 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.181 11.040 2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.147 10.678 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.252 11.254 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.517 13.120 1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.287 12.621 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.809 12.955 -1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.680 13.356 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.334 15.041 -0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.851 14.840 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.035 16.583 -0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.709 17.225 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.356 17.857 -1.152 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.416 8.183 1.149 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.443 7.145 1.236 1.00 0.00 C ATOM 1021 C TYR A 110 -1.785 5.744 1.245 1.00 0.00 C ATOM 1022 O TYR A 110 -1.644 5.106 0.195 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.419 7.343 0.057 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.920 8.757 -0.181 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.736 9.401 0.768 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.585 9.421 -1.377 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.236 10.693 0.508 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.092 10.708 -1.648 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.925 11.346 -0.703 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.414 12.594 -0.952 1.00 0.00 O ATOM 0 H TYR A 110 -0.729 7.990 0.420 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.006 7.221 2.166 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.928 6.998 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.283 6.698 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -4.979 8.905 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.934 8.940 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.860 11.185 1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.844 11.204 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.103 12.898 -1.830 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.338 5.244 2.415 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.458 4.070 2.506 1.00 0.00 C ATOM 1042 C PRO A 111 -1.122 2.742 2.103 1.00 0.00 C ATOM 1043 O PRO A 111 -0.421 1.765 1.835 1.00 0.00 O ATOM 1044 CB PRO A 111 0.038 4.051 3.957 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.073 4.761 4.727 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.533 5.828 3.737 1.00 0.00 C ATOM 0 HA PRO A 111 0.357 4.159 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.187 3.033 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.992 4.568 4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.881 4.080 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.707 5.200 5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.579 6.090 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.954 6.744 3.850 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.456 2.698 2.010 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.218 1.516 1.590 1.00 0.00 C ATOM 1056 C HIS A 112 -3.203 1.260 0.066 1.00 0.00 C ATOM 1057 O HIS A 112 -3.669 0.201 -0.363 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.636 1.618 2.163 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.468 2.740 1.602 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.243 4.106 1.801 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.548 2.577 0.788 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.213 4.730 1.112 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.021 3.838 0.516 1.00 0.00 N ATOM 0 H HIS A 112 -3.048 3.499 2.229 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.723 0.634 1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.154 0.676 1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.567 1.742 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -6.952 1.642 0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.327 5.802 1.046 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.845 4.059 -0.043 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.669 2.184 -0.757 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.638 2.039 -2.227 1.00 0.00 C ATOM 1073 C LEU A 113 -1.390 1.310 -2.770 1.00 0.00 C ATOM 1074 O LEU A 113 -1.449 0.810 -3.900 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.810 3.409 -2.935 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.232 4.000 -3.027 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.271 3.058 -3.633 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.749 4.378 -1.662 1.00 0.00 C ATOM 0 H LEU A 113 -2.248 3.051 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.489 1.399 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.179 4.133 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.422 3.313 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.115 4.863 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.241 3.555 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.973 2.791 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.342 2.155 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.753 4.792 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.779 3.493 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.089 5.123 -1.216 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.273 1.251 -2.026 1.00 0.00 N ATOM 1091 CA ARG A 114 0.931 0.498 -2.428 1.00 0.00 C ATOM 1092 C ARG A 114 0.693 -1.022 -2.451 1.00 0.00 C ATOM 1093 O ARG A 114 0.949 -1.645 -3.508 1.00 0.00 O ATOM 1094 CB ARG A 114 2.119 0.877 -1.529 1.00 0.00 C ATOM 1095 CG ARG A 114 3.446 0.372 -2.122 1.00 0.00 C ATOM 1096 CD ARG A 114 4.666 0.860 -1.331 1.00 0.00 C ATOM 1097 NE ARG A 114 4.738 0.260 0.016 1.00 0.00 N ATOM 1098 CZ ARG A 114 5.691 0.446 0.910 1.00 0.00 C ATOM 1099 NH1 ARG A 114 6.708 1.229 0.687 1.00 0.00 N ATOM 1100 NH2 ARG A 114 5.640 -0.160 2.059 1.00 0.00 N ATOM 1101 OXT ARG A 114 0.252 -1.590 -1.424 1.00 0.00 O ATOM 0 H ARG A 114 -0.177 1.724 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 114 1.172 0.779 -3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.159 1.960 -1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.977 0.453 -0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.441 -0.718 -2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.529 0.707 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.574 0.618 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.627 1.946 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 114 3.974 -0.361 0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.786 1.722 -0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.426 1.349 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.861 -0.783 2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.379 -0.013 2.746 1.00 0.00 H new