USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 535 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 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.86! C(o=-3.9!,f=-2.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00925 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 130:sc= -1.13 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -7.056 -3.818 -4.280 1.00 0.00 N ATOM 264 CA ARG A 24 -5.635 -3.535 -4.163 1.00 0.00 C ATOM 265 C ARG A 24 -5.417 -2.085 -3.727 1.00 0.00 C ATOM 266 O ARG A 24 -5.850 -1.156 -4.408 1.00 0.00 O ATOM 267 CB ARG A 24 -4.915 -3.775 -5.491 1.00 0.00 C ATOM 268 CG ARG A 24 -5.306 -2.718 -6.526 1.00 0.00 C ATOM 269 CD ARG A 24 -5.282 -3.300 -7.941 1.00 0.00 C ATOM 270 NE ARG A 24 -6.325 -4.341 -8.077 1.00 0.00 N ATOM 271 CZ ARG A 24 -6.744 -4.835 -9.250 1.00 0.00 C ATOM 272 NH1 ARG A 24 -6.213 -4.386 -10.395 1.00 0.00 N ATOM 273 NH2 ARG A 24 -7.696 -5.778 -9.278 1.00 0.00 N ATOM 0 HA ARG A 24 -5.223 -4.209 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.837 -3.753 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.162 -4.767 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.302 -2.337 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.620 -1.873 -6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.449 -2.509 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.301 -3.726 -8.151 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.751 -4.705 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.489 -3.668 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.532 -4.763 -11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.101 -6.119 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.015 -6.154 -10.171 1.00 0.00 H new ATOM 287 N ILE A 25 -4.746 -1.935 -2.595 1.00 0.00 N ATOM 288 CA ILE A 25 -4.466 -0.614 -2.060 1.00 0.00 C ATOM 289 C ILE A 25 -2.976 -0.306 -2.227 1.00 0.00 C ATOM 290 O ILE A 25 -2.167 -1.216 -2.402 1.00 0.00 O ATOM 291 CB ILE A 25 -4.958 -0.505 -0.615 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.150 -1.419 0.309 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.460 -0.781 -0.525 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.156 -0.890 1.745 1.00 0.00 C ATOM 0 H ILE A 25 -4.388 -2.707 -2.033 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.014 0.146 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.798 0.518 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.567 -2.426 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.124 -1.491 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.784 -0.697 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.000 -0.056 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.668 -1.787 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.575 -1.558 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.716 0.107 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.182 -0.842 2.111 1.00 0.00 H new ATOM 306 N TYR A 26 -2.659 0.979 -2.167 1.00 0.00 N ATOM 307 CA TYR A 26 -1.282 1.417 -2.309 1.00 0.00 C ATOM 308 C TYR A 26 -0.823 2.194 -1.074 1.00 0.00 C ATOM 309 O TYR A 26 -1.564 3.022 -0.546 1.00 0.00 O ATOM 310 CB TYR A 26 -1.260 2.351 -3.521 1.00 0.00 C ATOM 311 CG TYR A 26 0.025 3.171 -3.652 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.192 4.316 -2.900 1.00 0.00 C ATOM 313 CD2 TYR A 26 1.018 2.766 -4.521 1.00 0.00 C ATOM 314 CE1 TYR A 26 1.401 5.088 -3.022 1.00 0.00 C ATOM 315 CE2 TYR A 26 2.227 3.538 -4.644 1.00 0.00 C ATOM 316 CZ TYR A 26 2.359 4.661 -3.888 1.00 0.00 C ATOM 317 OH TYR A 26 3.501 5.391 -4.004 1.00 0.00 O ATOM 0 H TYR A 26 -3.333 1.731 -2.022 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.618 0.561 -2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.394 1.758 -4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.109 3.032 -3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.585 4.633 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.888 1.869 -5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.544 5.986 -2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.011 3.232 -5.321 1.00 0.00 H new ATOM 0 HH TYR A 26 4.095 4.967 -4.658 1.00 0.00 H new ATOM 327 N VAL A 27 0.397 1.900 -0.648 1.00 0.00 N ATOM 328 CA VAL A 27 0.963 2.561 0.515 1.00 0.00 C ATOM 329 C VAL A 27 2.211 3.340 0.097 1.00 0.00 C ATOM 330 O VAL A 27 3.110 2.788 -0.536 1.00 0.00 O ATOM 331 CB VAL A 27 1.240 1.535 1.616 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.708 2.222 2.901 1.00 0.00 C ATOM 333 CG2 VAL A 27 0.010 0.664 1.877 1.00 0.00 C ATOM 0 H VAL A 27 1.009 1.213 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 27 0.255 3.279 0.928 1.00 0.00 H new ATOM 0 HB VAL A 27 2.044 0.884 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.898 1.470 3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.624 2.778 2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.936 2.908 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.235 -0.056 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.823 1.294 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.260 0.132 0.964 1.00 0.00 H new ATOM 343 N GLY A 28 2.227 4.613 0.466 1.00 0.00 N ATOM 344 CA GLY A 28 3.350 5.474 0.137 1.00 0.00 C ATOM 345 C GLY A 28 3.880 6.185 1.384 1.00 0.00 C ATOM 346 O GLY A 28 3.418 5.925 2.494 1.00 0.00 O ATOM 0 H GLY A 28 1.480 5.069 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.146 4.882 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.042 6.212 -0.604 1.00 0.00 H new ATOM 350 N ASN A 29 4.842 7.067 1.159 1.00 0.00 N ATOM 351 CA ASN A 29 5.440 7.817 2.251 1.00 0.00 C ATOM 352 C ASN A 29 6.052 6.842 3.258 1.00 0.00 C ATOM 353 O ASN A 29 6.330 7.214 4.397 1.00 0.00 O ATOM 354 CB ASN A 29 4.390 8.656 2.982 1.00 0.00 C ATOM 355 CG ASN A 29 5.039 9.843 3.697 1.00 0.00 C ATOM 356 OD1 ASN A 29 5.969 9.701 4.474 1.00 0.00 O ATOM 357 ND2 ASN A 29 4.497 11.019 3.394 1.00 0.00 N ATOM 0 H ASN A 29 5.223 7.279 0.237 1.00 0.00 H new ATOM 0 HA ASN A 29 6.200 8.476 1.832 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.648 9.017 2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.862 8.035 3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.858 11.872 3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.720 11.068 2.735 1.00 0.00 H new ATOM 364 N LEU A 30 6.245 5.613 2.802 1.00 0.00 N ATOM 365 CA LEU A 30 6.819 4.582 3.650 1.00 0.00 C ATOM 366 C LEU A 30 8.264 4.953 3.988 1.00 0.00 C ATOM 367 O LEU A 30 8.888 5.743 3.282 1.00 0.00 O ATOM 368 CB LEU A 30 6.674 3.207 2.994 1.00 0.00 C ATOM 369 CG LEU A 30 5.292 2.558 3.095 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.036 1.628 1.908 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.121 1.839 4.434 1.00 0.00 C ATOM 0 H LEU A 30 6.014 5.308 1.856 1.00 0.00 H new ATOM 0 HA LEU A 30 6.277 4.518 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.933 3.300 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.404 2.533 3.443 1.00 0.00 H new ATOM 0 HG LEU A 30 4.540 3.346 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.047 1.179 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.087 2.199 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.791 0.842 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.130 1.387 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.880 1.062 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.231 2.555 5.248 1.00 0.00 H new ATOM 383 N PRO A 31 8.768 4.349 5.098 1.00 0.00 N ATOM 384 CA PRO A 31 10.128 4.607 5.539 1.00 0.00 C ATOM 385 C PRO A 31 11.140 3.887 4.646 1.00 0.00 C ATOM 386 O PRO A 31 10.770 3.017 3.859 1.00 0.00 O ATOM 387 CB PRO A 31 10.169 4.136 6.984 1.00 0.00 C ATOM 388 CG PRO A 31 8.976 3.210 7.155 1.00 0.00 C ATOM 389 CD PRO A 31 8.058 3.407 5.959 1.00 0.00 C ATOM 0 HA PRO A 31 10.400 5.660 5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.102 3.615 7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.110 4.980 7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.304 2.172 7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.449 3.434 8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.870 2.465 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.089 3.802 6.264 1.00 0.00 H new ATOM 397 N PRO A 32 12.431 4.286 4.802 1.00 0.00 N ATOM 398 CA PRO A 32 13.499 3.689 4.019 1.00 0.00 C ATOM 399 C PRO A 32 13.835 2.286 4.531 1.00 0.00 C ATOM 400 O PRO A 32 14.291 1.436 3.767 1.00 0.00 O ATOM 401 CB PRO A 32 14.663 4.659 4.137 1.00 0.00 C ATOM 402 CG PRO A 32 14.364 5.524 5.351 1.00 0.00 C ATOM 403 CD PRO A 32 12.905 5.314 5.724 1.00 0.00 C ATOM 0 HA PRO A 32 13.224 3.543 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.605 4.125 4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.757 5.267 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.014 5.252 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.554 6.574 5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 32 12.804 4.993 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.333 6.235 5.618 1.00 0.00 H new ATOM 411 N ASP A 33 13.596 2.088 5.819 1.00 0.00 N ATOM 412 CA ASP A 33 13.868 0.803 6.441 1.00 0.00 C ATOM 413 C ASP A 33 12.545 0.090 6.727 1.00 0.00 C ATOM 414 O ASP A 33 12.311 -0.369 7.844 1.00 0.00 O ATOM 415 CB ASP A 33 14.606 0.980 7.769 1.00 0.00 C ATOM 416 CG ASP A 33 15.501 -0.194 8.173 1.00 0.00 C ATOM 417 OD1 ASP A 33 15.430 -1.228 7.474 1.00 0.00 O ATOM 418 OD2 ASP A 33 16.236 -0.030 9.171 1.00 0.00 O ATOM 0 H ASP A 33 13.217 2.795 6.449 1.00 0.00 H new ATOM 0 HA ASP A 33 14.488 0.222 5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.218 1.880 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.871 1.145 8.557 1.00 0.00 H new ATOM 423 N ILE A 34 11.714 0.019 5.697 1.00 0.00 N ATOM 424 CA ILE A 34 10.420 -0.631 5.824 1.00 0.00 C ATOM 425 C ILE A 34 10.523 -2.067 5.305 1.00 0.00 C ATOM 426 O ILE A 34 11.401 -2.379 4.502 1.00 0.00 O ATOM 427 CB ILE A 34 9.335 0.197 5.132 1.00 0.00 C ATOM 428 CG1 ILE A 34 7.939 -0.279 5.540 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.522 0.187 3.614 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.635 0.097 6.992 1.00 0.00 C ATOM 0 H ILE A 34 11.911 0.400 4.772 1.00 0.00 H new ATOM 0 HA ILE A 34 10.124 -0.690 6.871 1.00 0.00 H new ATOM 0 HB ILE A 34 9.432 1.231 5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.192 0.165 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.869 -1.360 5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.738 0.783 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.496 0.609 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.466 -0.838 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.637 -0.253 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.369 -0.368 7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.682 1.180 7.105 1.00 0.00 H new ATOM 442 N ARG A 35 9.613 -2.902 5.785 1.00 0.00 N ATOM 443 CA ARG A 35 9.590 -4.297 5.379 1.00 0.00 C ATOM 444 C ARG A 35 8.175 -4.705 4.962 1.00 0.00 C ATOM 445 O ARG A 35 7.195 -4.258 5.557 1.00 0.00 O ATOM 446 CB ARG A 35 10.062 -5.208 6.514 1.00 0.00 C ATOM 447 CG ARG A 35 11.508 -4.894 6.902 1.00 0.00 C ATOM 448 CD ARG A 35 12.379 -6.150 6.834 1.00 0.00 C ATOM 449 NE ARG A 35 13.800 -5.772 6.666 1.00 0.00 N ATOM 450 CZ ARG A 35 14.775 -6.635 6.348 1.00 0.00 C ATOM 451 NH1 ARG A 35 14.488 -7.931 6.161 1.00 0.00 N ATOM 452 NH2 ARG A 35 16.036 -6.203 6.216 1.00 0.00 N ATOM 0 H ARG A 35 8.886 -2.639 6.451 1.00 0.00 H new ATOM 0 HA ARG A 35 10.268 -4.408 4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.413 -5.081 7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.982 -6.250 6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.910 -4.132 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.536 -4.482 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.256 -6.738 7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.061 -6.779 6.003 1.00 0.00 H new ATOM 0 HE ARG A 35 14.053 -4.793 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.528 -8.260 6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.230 -8.588 5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.255 -5.217 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.778 -6.860 5.974 1.00 0.00 H new ATOM 466 N THR A 36 8.114 -5.550 3.943 1.00 0.00 N ATOM 467 CA THR A 36 6.835 -6.023 3.440 1.00 0.00 C ATOM 468 C THR A 36 6.002 -6.619 4.577 1.00 0.00 C ATOM 469 O THR A 36 4.806 -6.352 4.679 1.00 0.00 O ATOM 470 CB THR A 36 7.111 -7.013 2.306 1.00 0.00 C ATOM 471 OG1 THR A 36 8.242 -6.465 1.634 1.00 0.00 O ATOM 472 CG2 THR A 36 6.009 -7.009 1.245 1.00 0.00 C ATOM 0 H THR A 36 8.929 -5.919 3.452 1.00 0.00 H new ATOM 0 HA THR A 36 6.240 -5.203 3.038 1.00 0.00 H new ATOM 0 HB THR A 36 7.215 -8.017 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.490 -7.046 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.254 -7.728 0.464 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.060 -7.282 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.927 -6.013 0.809 1.00 0.00 H new ATOM 480 N LYS A 37 6.667 -7.413 5.402 1.00 0.00 N ATOM 481 CA LYS A 37 6.003 -8.049 6.527 1.00 0.00 C ATOM 482 C LYS A 37 5.484 -6.971 7.482 1.00 0.00 C ATOM 483 O LYS A 37 4.306 -6.965 7.835 1.00 0.00 O ATOM 484 CB LYS A 37 6.932 -9.065 7.194 1.00 0.00 C ATOM 485 CG LYS A 37 6.168 -10.332 7.586 1.00 0.00 C ATOM 486 CD LYS A 37 6.659 -11.538 6.783 1.00 0.00 C ATOM 487 CE LYS A 37 6.013 -12.831 7.287 1.00 0.00 C ATOM 488 NZ LYS A 37 5.493 -13.626 6.152 1.00 0.00 N ATOM 0 H LYS A 37 7.660 -7.631 5.314 1.00 0.00 H new ATOM 0 HA LYS A 37 5.138 -8.619 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.744 -9.322 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.386 -8.621 8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.296 -10.523 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.102 -10.186 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.424 -11.397 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.744 -11.614 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.744 -13.417 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.202 -12.595 7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.058 -14.500 6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.780 -13.071 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.275 -13.867 5.510 1.00 0.00 H new ATOM 502 N ASP A 38 6.389 -6.086 7.872 1.00 0.00 N ATOM 503 CA ASP A 38 6.038 -5.006 8.779 1.00 0.00 C ATOM 504 C ASP A 38 4.785 -4.297 8.259 1.00 0.00 C ATOM 505 O ASP A 38 3.893 -3.957 9.035 1.00 0.00 O ATOM 506 CB ASP A 38 7.163 -3.974 8.868 1.00 0.00 C ATOM 507 CG ASP A 38 8.460 -4.484 9.499 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.456 -5.654 9.937 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.426 -3.691 9.530 1.00 0.00 O ATOM 0 H ASP A 38 7.365 -6.094 7.577 1.00 0.00 H new ATOM 0 HA ASP A 38 5.865 -5.436 9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.383 -3.611 7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.807 -3.120 9.445 1.00 0.00 H new ATOM 514 N ILE A 39 4.759 -4.095 6.950 1.00 0.00 N ATOM 515 CA ILE A 39 3.630 -3.433 6.318 1.00 0.00 C ATOM 516 C ILE A 39 2.412 -4.356 6.363 1.00 0.00 C ATOM 517 O ILE A 39 1.274 -3.889 6.353 1.00 0.00 O ATOM 518 CB ILE A 39 4.001 -2.972 4.907 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.229 -2.060 4.933 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.808 -2.309 4.216 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.869 -1.961 3.547 1.00 0.00 C ATOM 0 H ILE A 39 5.501 -4.378 6.310 1.00 0.00 H new ATOM 0 HA ILE A 39 3.364 -2.528 6.865 1.00 0.00 H new ATOM 0 HB ILE A 39 4.266 -3.851 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.941 -1.066 5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.957 -2.445 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.098 -1.990 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.986 -3.021 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.488 -1.442 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.740 -1.307 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.178 -2.953 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.146 -1.553 2.841 1.00 0.00 H new ATOM 533 N GLU A 40 2.691 -5.651 6.412 1.00 0.00 N ATOM 534 CA GLU A 40 1.632 -6.644 6.458 1.00 0.00 C ATOM 535 C GLU A 40 0.987 -6.667 7.845 1.00 0.00 C ATOM 536 O GLU A 40 -0.193 -6.351 7.991 1.00 0.00 O ATOM 537 CB GLU A 40 2.161 -8.028 6.076 1.00 0.00 C ATOM 538 CG GLU A 40 1.441 -9.126 6.861 1.00 0.00 C ATOM 539 CD GLU A 40 1.627 -10.490 6.193 1.00 0.00 C ATOM 540 OE1 GLU A 40 2.798 -10.831 5.918 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.595 -11.160 5.973 1.00 0.00 O ATOM 0 H GLU A 40 3.636 -6.035 6.421 1.00 0.00 H new ATOM 0 HA GLU A 40 0.870 -6.369 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.024 -8.191 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.232 -8.079 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.826 -9.161 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.379 -8.892 6.929 1.00 0.00 H new ATOM 548 N ASP A 41 1.789 -7.046 8.830 1.00 0.00 N ATOM 549 CA ASP A 41 1.311 -7.115 10.200 1.00 0.00 C ATOM 550 C ASP A 41 0.642 -5.789 10.570 1.00 0.00 C ATOM 551 O ASP A 41 -0.175 -5.737 11.488 1.00 0.00 O ATOM 552 CB ASP A 41 2.467 -7.349 11.175 1.00 0.00 C ATOM 553 CG ASP A 41 2.061 -7.449 12.647 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.612 -6.413 13.184 1.00 0.00 O ATOM 555 OD2 ASP A 41 2.208 -8.560 13.202 1.00 0.00 O ATOM 0 H ASP A 41 2.767 -7.308 8.706 1.00 0.00 H new ATOM 0 HA ASP A 41 0.606 -7.943 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.981 -8.268 10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.185 -6.536 11.066 1.00 0.00 H new ATOM 560 N VAL A 42 1.013 -4.751 9.835 1.00 0.00 N ATOM 561 CA VAL A 42 0.459 -3.429 10.074 1.00 0.00 C ATOM 562 C VAL A 42 -1.029 -3.433 9.720 1.00 0.00 C ATOM 563 O VAL A 42 -1.865 -3.038 10.531 1.00 0.00 O ATOM 564 CB VAL A 42 1.256 -2.379 9.297 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.396 -1.150 8.997 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.528 -1.988 10.051 1.00 0.00 C ATOM 0 H VAL A 42 1.690 -4.799 9.074 1.00 0.00 H new ATOM 0 HA VAL A 42 0.542 -3.165 11.128 1.00 0.00 H new ATOM 0 HB VAL A 42 1.553 -2.820 8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.986 -0.419 8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.466 -1.446 8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.055 -0.708 9.933 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.076 -1.241 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.262 -1.575 11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.154 -2.869 10.190 1.00 0.00 H new ATOM 576 N PHE A 43 -1.315 -3.884 8.508 1.00 0.00 N ATOM 577 CA PHE A 43 -2.688 -3.945 8.036 1.00 0.00 C ATOM 578 C PHE A 43 -3.386 -5.210 8.541 1.00 0.00 C ATOM 579 O PHE A 43 -4.614 -5.266 8.595 1.00 0.00 O ATOM 580 CB PHE A 43 -2.635 -3.982 6.508 1.00 0.00 C ATOM 581 CG PHE A 43 -2.509 -2.604 5.856 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.295 -1.995 5.782 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.610 -1.987 5.350 1.00 0.00 C ATOM 584 CE1 PHE A 43 -1.178 -0.716 5.177 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.493 -0.708 4.745 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.279 -0.099 4.671 1.00 0.00 C ATOM 0 H PHE A 43 -0.619 -4.211 7.838 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.246 -3.083 8.403 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.790 -4.597 6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.537 -4.468 6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.420 -2.484 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.574 -2.470 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.214 -0.233 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.368 -0.219 4.343 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.190 0.874 4.211 1.00 0.00 H new ATOM 596 N TYR A 44 -2.573 -6.193 8.900 1.00 0.00 N ATOM 597 CA TYR A 44 -3.097 -7.453 9.399 1.00 0.00 C ATOM 598 C TYR A 44 -3.952 -7.234 10.648 1.00 0.00 C ATOM 599 O TYR A 44 -4.697 -8.123 11.058 1.00 0.00 O ATOM 600 CB TYR A 44 -1.878 -8.298 9.771 1.00 0.00 C ATOM 601 CG TYR A 44 -2.117 -9.807 9.685 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.734 -10.468 10.727 1.00 0.00 C ATOM 603 CD2 TYR A 44 -1.715 -10.507 8.565 1.00 0.00 C ATOM 604 CE1 TYR A 44 -2.959 -11.888 10.646 1.00 0.00 C ATOM 605 CE2 TYR A 44 -1.941 -11.927 8.483 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.551 -12.547 9.528 1.00 0.00 C ATOM 607 OH TYR A 44 -2.764 -13.889 9.451 1.00 0.00 O ATOM 0 H TYR A 44 -1.555 -6.142 8.855 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.725 -7.933 8.648 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.051 -8.033 9.112 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.570 -8.046 10.786 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.048 -9.921 11.603 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.231 -9.990 7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.441 -12.418 11.454 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.633 -12.486 7.612 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.422 -14.226 8.596 1.00 0.00 H new ATOM 617 N LYS A 45 -3.817 -6.046 11.219 1.00 0.00 N ATOM 618 CA LYS A 45 -4.568 -5.700 12.414 1.00 0.00 C ATOM 619 C LYS A 45 -6.054 -5.597 12.065 1.00 0.00 C ATOM 620 O LYS A 45 -6.903 -5.566 12.954 1.00 0.00 O ATOM 621 CB LYS A 45 -3.998 -4.434 13.057 1.00 0.00 C ATOM 622 CG LYS A 45 -4.726 -3.187 12.551 1.00 0.00 C ATOM 623 CD LYS A 45 -5.836 -2.771 13.519 1.00 0.00 C ATOM 624 CE LYS A 45 -5.270 -1.963 14.688 1.00 0.00 C ATOM 625 NZ LYS A 45 -6.155 -0.821 15.007 1.00 0.00 N ATOM 0 H LYS A 45 -3.199 -5.311 10.876 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.470 -6.483 13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.091 -4.499 14.141 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.934 -4.355 12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.015 -2.369 12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.151 -3.384 11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.582 -2.178 12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.344 -3.658 13.898 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.164 -2.604 15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.274 -1.599 14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.755 -0.284 15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.235 -0.201 14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.098 -1.175 15.267 1.00 0.00 H new ATOM 639 N TYR A 46 -6.322 -5.548 10.768 1.00 0.00 N ATOM 640 CA TYR A 46 -7.691 -5.449 10.291 1.00 0.00 C ATOM 641 C TYR A 46 -8.217 -6.815 9.847 1.00 0.00 C ATOM 642 O TYR A 46 -9.202 -7.312 10.391 1.00 0.00 O ATOM 643 CB TYR A 46 -7.649 -4.514 9.080 1.00 0.00 C ATOM 644 CG TYR A 46 -7.687 -3.028 9.440 1.00 0.00 C ATOM 645 CD1 TYR A 46 -8.898 -2.386 9.599 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.509 -2.328 9.606 1.00 0.00 C ATOM 647 CE1 TYR A 46 -8.934 -0.987 9.938 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.544 -0.929 9.945 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.755 -0.328 10.094 1.00 0.00 C ATOM 650 OH TYR A 46 -7.788 0.994 10.414 1.00 0.00 O ATOM 0 H TYR A 46 -5.615 -5.575 10.033 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.347 -5.082 11.080 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.743 -4.716 8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.493 -4.741 8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.820 -2.933 9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.561 -2.830 9.482 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.875 -0.473 10.065 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.630 -0.370 10.078 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.872 1.334 10.495 1.00 0.00 H new ATOM 660 N GLY A 47 -7.536 -7.385 8.863 1.00 0.00 N ATOM 661 CA GLY A 47 -7.922 -8.684 8.340 1.00 0.00 C ATOM 662 C GLY A 47 -6.697 -9.475 7.877 1.00 0.00 C ATOM 663 O GLY A 47 -5.734 -9.630 8.626 1.00 0.00 O ATOM 0 H GLY A 47 -6.719 -6.970 8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.453 -9.246 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.612 -8.554 7.506 1.00 0.00 H new ATOM 667 N ALA A 48 -6.774 -9.954 6.644 1.00 0.00 N ATOM 668 CA ALA A 48 -5.683 -10.725 6.071 1.00 0.00 C ATOM 669 C ALA A 48 -5.261 -10.094 4.742 1.00 0.00 C ATOM 670 O ALA A 48 -5.988 -9.275 4.182 1.00 0.00 O ATOM 671 CB ALA A 48 -6.116 -12.183 5.913 1.00 0.00 C ATOM 0 H ALA A 48 -7.575 -9.823 6.026 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.816 -10.713 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.298 -12.761 5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.377 -12.593 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.983 -12.236 5.254 1.00 0.00 H new ATOM 677 N ILE A 49 -4.089 -10.500 4.277 1.00 0.00 N ATOM 678 CA ILE A 49 -3.562 -9.985 3.025 1.00 0.00 C ATOM 679 C ILE A 49 -3.432 -11.133 2.021 1.00 0.00 C ATOM 680 O ILE A 49 -3.120 -12.261 2.400 1.00 0.00 O ATOM 681 CB ILE A 49 -2.255 -9.227 3.265 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.489 -7.995 4.142 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.579 -8.867 1.941 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.257 -7.689 4.996 1.00 0.00 C ATOM 0 H ILE A 49 -3.489 -11.180 4.745 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.250 -9.258 2.592 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.574 -9.884 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.723 -7.136 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.351 -8.162 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.652 -8.329 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.357 -9.779 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.245 -8.237 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.449 -6.809 5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.040 -8.541 5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.402 -7.499 4.347 1.00 0.00 H new ATOM 696 N ARG A 50 -3.676 -10.805 0.761 1.00 0.00 N ATOM 697 CA ARG A 50 -3.590 -11.794 -0.300 1.00 0.00 C ATOM 698 C ARG A 50 -2.177 -11.823 -0.885 1.00 0.00 C ATOM 699 O ARG A 50 -1.675 -12.884 -1.252 1.00 0.00 O ATOM 700 CB ARG A 50 -4.591 -11.493 -1.417 1.00 0.00 C ATOM 701 CG ARG A 50 -4.353 -12.400 -2.626 1.00 0.00 C ATOM 702 CD ARG A 50 -5.675 -12.945 -3.170 1.00 0.00 C ATOM 703 NE ARG A 50 -5.638 -14.425 -3.200 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.728 -15.202 -3.259 1.00 0.00 C ATOM 705 NH1 ARG A 50 -7.946 -14.646 -3.295 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.599 -16.536 -3.282 1.00 0.00 N ATOM 0 H ARG A 50 -3.933 -9.868 0.451 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.828 -12.766 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.607 -11.633 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.502 -10.449 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.836 -11.843 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.703 -13.228 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.502 -12.606 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.853 -12.557 -4.173 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.726 -14.881 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.044 -13.631 -3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.776 -15.238 -3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.671 -16.959 -3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.428 -17.128 -3.327 1.00 0.00 H new ATOM 720 N ASP A 51 -1.575 -10.645 -0.954 1.00 0.00 N ATOM 721 CA ASP A 51 -0.229 -10.522 -1.488 1.00 0.00 C ATOM 722 C ASP A 51 0.245 -9.075 -1.336 1.00 0.00 C ATOM 723 O ASP A 51 -0.569 -8.159 -1.234 1.00 0.00 O ATOM 724 CB ASP A 51 -0.192 -10.878 -2.975 1.00 0.00 C ATOM 725 CG ASP A 51 1.021 -11.700 -3.414 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.469 -12.531 -2.595 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.474 -11.477 -4.558 1.00 0.00 O ATOM 0 H ASP A 51 -1.995 -9.767 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 51 0.416 -11.206 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.097 -11.433 -3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.215 -9.955 -3.555 1.00 0.00 H new ATOM 732 N ILE A 52 1.560 -8.915 -1.327 1.00 0.00 N ATOM 733 CA ILE A 52 2.152 -7.595 -1.190 1.00 0.00 C ATOM 734 C ILE A 52 3.217 -7.404 -2.271 1.00 0.00 C ATOM 735 O ILE A 52 4.092 -8.251 -2.443 1.00 0.00 O ATOM 736 CB ILE A 52 2.676 -7.388 0.232 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.542 -7.494 1.255 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.432 -6.063 0.351 1.00 0.00 C ATOM 739 CD1 ILE A 52 2.078 -7.909 2.627 1.00 0.00 C ATOM 0 H ILE A 52 2.232 -9.677 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 52 1.399 -6.822 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 52 3.386 -8.185 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.029 -6.535 1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.806 -8.221 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.794 -5.941 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.278 -6.064 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.763 -5.239 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.252 -7.977 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.569 -8.879 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.796 -7.167 2.977 1.00 0.00 H new ATOM 751 N ASP A 53 3.108 -6.285 -2.973 1.00 0.00 N ATOM 752 CA ASP A 53 4.052 -5.972 -4.033 1.00 0.00 C ATOM 753 C ASP A 53 4.791 -4.678 -3.686 1.00 0.00 C ATOM 754 O ASP A 53 4.196 -3.601 -3.683 1.00 0.00 O ATOM 755 CB ASP A 53 3.332 -5.762 -5.367 1.00 0.00 C ATOM 756 CG ASP A 53 3.525 -6.884 -6.389 1.00 0.00 C ATOM 757 OD1 ASP A 53 4.680 -7.052 -6.836 1.00 0.00 O ATOM 758 OD2 ASP A 53 2.512 -7.548 -6.701 1.00 0.00 O ATOM 0 H ASP A 53 2.381 -5.584 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 53 4.746 -6.808 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.266 -5.647 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.679 -4.827 -5.807 1.00 0.00 H new ATOM 763 N LEU A 54 6.076 -4.826 -3.403 1.00 0.00 N ATOM 764 CA LEU A 54 6.903 -3.682 -3.055 1.00 0.00 C ATOM 765 C LEU A 54 7.947 -3.461 -4.151 1.00 0.00 C ATOM 766 O LEU A 54 8.673 -4.384 -4.517 1.00 0.00 O ATOM 767 CB LEU A 54 7.504 -3.860 -1.660 1.00 0.00 C ATOM 768 CG LEU A 54 8.696 -2.962 -1.324 1.00 0.00 C ATOM 769 CD1 LEU A 54 8.231 -1.640 -0.710 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.696 -3.691 -0.424 1.00 0.00 C ATOM 0 H LEU A 54 6.566 -5.721 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 54 6.298 -2.777 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.721 -3.681 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.815 -4.899 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 54 9.214 -2.722 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.098 -1.021 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.588 -1.117 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.675 -1.840 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.533 -3.030 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.205 -3.981 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.063 -4.582 -0.934 1.00 0.00 H new ATOM 782 N LYS A 55 7.989 -2.233 -4.645 1.00 0.00 N ATOM 783 CA LYS A 55 8.932 -1.879 -5.692 1.00 0.00 C ATOM 784 C LYS A 55 10.060 -1.035 -5.093 1.00 0.00 C ATOM 785 O LYS A 55 9.903 0.169 -4.899 1.00 0.00 O ATOM 786 CB LYS A 55 8.210 -1.201 -6.858 1.00 0.00 C ATOM 787 CG LYS A 55 6.996 -2.020 -7.301 1.00 0.00 C ATOM 788 CD LYS A 55 7.134 -2.459 -8.760 1.00 0.00 C ATOM 789 CE LYS A 55 6.100 -1.759 -9.644 1.00 0.00 C ATOM 790 NZ LYS A 55 6.428 -1.948 -11.075 1.00 0.00 N ATOM 0 H LYS A 55 7.385 -1.470 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 55 9.391 -2.775 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.891 -0.202 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.897 -1.080 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.891 -2.897 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.089 -1.427 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.138 -2.231 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.007 -3.539 -8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.107 -2.157 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.072 -0.695 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.716 -1.467 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.367 -1.547 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.431 -2.964 -11.299 1.00 0.00 H new ATOM 880 N PRO A 61 10.812 7.717 -1.901 1.00 0.00 N ATOM 881 CA PRO A 61 10.291 6.817 -0.886 1.00 0.00 C ATOM 882 C PRO A 61 9.820 5.501 -1.509 1.00 0.00 C ATOM 883 O PRO A 61 9.345 5.483 -2.644 1.00 0.00 O ATOM 884 CB PRO A 61 9.169 7.590 -0.212 1.00 0.00 C ATOM 885 CG PRO A 61 8.797 8.707 -1.175 1.00 0.00 C ATOM 886 CD PRO A 61 9.898 8.810 -2.218 1.00 0.00 C ATOM 0 HA PRO A 61 11.047 6.522 -0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.314 6.944 -0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.493 7.993 0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.839 8.497 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.688 9.651 -0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.498 8.712 -3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.402 9.775 -2.168 1.00 0.00 H new ATOM 894 N PRO A 62 9.972 4.404 -0.720 1.00 0.00 N ATOM 895 CA PRO A 62 9.567 3.088 -1.183 1.00 0.00 C ATOM 896 C PRO A 62 8.045 2.940 -1.154 1.00 0.00 C ATOM 897 O PRO A 62 7.392 3.384 -0.210 1.00 0.00 O ATOM 898 CB PRO A 62 10.276 2.111 -0.259 1.00 0.00 C ATOM 899 CG PRO A 62 10.677 2.914 0.968 1.00 0.00 C ATOM 900 CD PRO A 62 10.531 4.388 0.629 1.00 0.00 C ATOM 0 HA PRO A 62 9.842 2.905 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.620 1.284 0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.150 1.678 -0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.046 2.653 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.704 2.688 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.874 4.894 1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.493 4.900 0.665 1.00 0.00 H new ATOM 908 N PHE A 63 7.523 2.316 -2.200 1.00 0.00 N ATOM 909 CA PHE A 63 6.089 2.104 -2.306 1.00 0.00 C ATOM 910 C PHE A 63 5.771 0.633 -2.578 1.00 0.00 C ATOM 911 O PHE A 63 6.611 -0.103 -3.094 1.00 0.00 O ATOM 912 CB PHE A 63 5.599 2.946 -3.485 1.00 0.00 C ATOM 913 CG PHE A 63 6.287 2.619 -4.812 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.509 3.146 -5.093 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.676 1.800 -5.711 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.147 2.842 -6.325 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.315 1.496 -6.942 1.00 0.00 C ATOM 918 CZ PHE A 63 7.537 2.023 -7.223 1.00 0.00 C ATOM 0 H PHE A 63 8.067 1.950 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 63 5.601 2.387 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.525 2.802 -3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.757 4.000 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.994 3.796 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.706 1.382 -5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.117 3.261 -6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.830 0.846 -7.656 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.023 1.791 -8.159 1.00 0.00 H new ATOM 928 N ALA A 64 4.555 0.247 -2.218 1.00 0.00 N ATOM 929 CA ALA A 64 4.116 -1.123 -2.417 1.00 0.00 C ATOM 930 C ALA A 64 2.586 -1.171 -2.403 1.00 0.00 C ATOM 931 O ALA A 64 1.935 -0.208 -2.001 1.00 0.00 O ATOM 932 CB ALA A 64 4.736 -2.020 -1.343 1.00 0.00 C ATOM 0 H ALA A 64 3.861 0.860 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 64 4.450 -1.495 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.406 -3.048 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.823 -1.974 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.421 -1.678 -0.357 1.00 0.00 H new ATOM 938 N PHE A 65 2.057 -2.301 -2.847 1.00 0.00 N ATOM 939 CA PHE A 65 0.617 -2.487 -2.891 1.00 0.00 C ATOM 940 C PHE A 65 0.188 -3.660 -2.007 1.00 0.00 C ATOM 941 O PHE A 65 0.897 -4.660 -1.909 1.00 0.00 O ATOM 942 CB PHE A 65 0.250 -2.798 -4.344 1.00 0.00 C ATOM 943 CG PHE A 65 0.448 -1.621 -5.301 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.704 -1.246 -5.667 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.630 -0.950 -5.787 1.00 0.00 C ATOM 946 CE1 PHE A 65 1.888 -0.154 -6.555 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.446 0.142 -6.676 1.00 0.00 C ATOM 948 CZ PHE A 65 0.809 0.517 -7.041 1.00 0.00 C ATOM 0 H PHE A 65 2.600 -3.098 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 65 0.115 -1.590 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.853 -3.638 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.792 -3.115 -4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.561 -1.779 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.627 -1.248 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.885 0.144 -6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.303 0.674 -7.062 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.949 1.348 -7.717 1.00 0.00 H new ATOM 958 N VAL A 66 -0.972 -3.498 -1.386 1.00 0.00 N ATOM 959 CA VAL A 66 -1.504 -4.531 -0.514 1.00 0.00 C ATOM 960 C VAL A 66 -2.852 -5.007 -1.057 1.00 0.00 C ATOM 961 O VAL A 66 -3.776 -4.211 -1.219 1.00 0.00 O ATOM 962 CB VAL A 66 -1.588 -4.010 0.922 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.957 -5.134 1.892 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.280 -3.335 1.338 1.00 0.00 C ATOM 0 H VAL A 66 -1.558 -2.667 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.839 -5.394 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.379 -3.261 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.010 -4.737 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.925 -5.551 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.199 -5.916 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.367 -2.974 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.537 -4.054 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.076 -2.495 0.673 1.00 0.00 H new ATOM 974 N GLU A 67 -2.923 -6.303 -1.324 1.00 0.00 N ATOM 975 CA GLU A 67 -4.143 -6.894 -1.846 1.00 0.00 C ATOM 976 C GLU A 67 -4.909 -7.605 -0.729 1.00 0.00 C ATOM 977 O GLU A 67 -4.427 -8.589 -0.170 1.00 0.00 O ATOM 978 CB GLU A 67 -3.838 -7.854 -2.998 1.00 0.00 C ATOM 979 CG GLU A 67 -5.061 -8.035 -3.899 1.00 0.00 C ATOM 980 CD GLU A 67 -4.681 -7.892 -5.374 1.00 0.00 C ATOM 981 OE1 GLU A 67 -3.510 -8.194 -5.691 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.571 -7.484 -6.152 1.00 0.00 O ATOM 0 H GLU A 67 -2.155 -6.960 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.771 -6.095 -2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.003 -7.470 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.530 -8.820 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.502 -9.017 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.819 -7.296 -3.642 1.00 0.00 H new ATOM 989 N PHE A 68 -6.089 -7.078 -0.436 1.00 0.00 N ATOM 990 CA PHE A 68 -6.926 -7.650 0.605 1.00 0.00 C ATOM 991 C PHE A 68 -7.875 -8.703 0.029 1.00 0.00 C ATOM 992 O PHE A 68 -8.108 -8.739 -1.178 1.00 0.00 O ATOM 993 CB PHE A 68 -7.751 -6.504 1.195 1.00 0.00 C ATOM 994 CG PHE A 68 -7.125 -5.859 2.432 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.327 -6.405 3.661 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.365 -4.738 2.303 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.746 -5.806 4.809 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.784 -4.138 3.452 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.987 -4.685 4.681 1.00 0.00 C ATOM 0 H PHE A 68 -6.485 -6.261 -0.901 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.305 -8.134 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.891 -5.740 0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.741 -6.879 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.930 -7.295 3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.203 -4.304 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.907 -6.241 5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.181 -3.248 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.545 -4.229 5.555 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.396 -9.533 0.920 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.315 -10.584 0.515 1.00 0.00 C ATOM 1011 C GLU A 69 -10.710 -10.005 0.272 1.00 0.00 C ATOM 1012 O GLU A 69 -11.367 -10.350 -0.709 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.360 -11.704 1.557 1.00 0.00 C ATOM 1014 CG GLU A 69 -8.090 -12.555 1.502 1.00 0.00 C ATOM 1015 CD GLU A 69 -8.083 -13.449 0.260 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -9.024 -14.262 0.141 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -7.135 -13.299 -0.542 1.00 0.00 O ATOM 0 H GLU A 69 -8.200 -9.500 1.920 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.954 -11.015 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.472 -11.275 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.232 -12.334 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.214 -11.907 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.022 -13.171 2.399 1.00 0.00 H new ATOM 1024 N ASP A 70 -11.121 -9.134 1.182 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.426 -8.504 1.078 1.00 0.00 C ATOM 1026 C ASP A 70 -12.246 -7.000 0.862 1.00 0.00 C ATOM 1027 O ASP A 70 -11.259 -6.419 1.309 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.237 -8.703 2.360 1.00 0.00 C ATOM 1029 CG ASP A 70 -14.364 -9.733 2.259 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -15.034 -9.740 1.203 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -14.531 -10.490 3.239 1.00 0.00 O ATOM 0 H ASP A 70 -10.573 -8.850 1.994 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.955 -8.961 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.559 -9.006 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.666 -7.745 2.653 1.00 0.00 H new ATOM 1036 N PRO A 71 -13.241 -6.397 0.158 1.00 0.00 N ATOM 1037 CA PRO A 71 -13.202 -4.972 -0.123 1.00 0.00 C ATOM 1038 C PRO A 71 -13.545 -4.157 1.126 1.00 0.00 C ATOM 1039 O PRO A 71 -12.909 -3.142 1.403 1.00 0.00 O ATOM 1040 CB PRO A 71 -14.194 -4.767 -1.257 1.00 0.00 C ATOM 1041 CG PRO A 71 -15.088 -5.996 -1.255 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.426 -7.054 -0.387 1.00 0.00 C ATOM 0 HA PRO A 71 -12.209 -4.628 -0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.778 -3.859 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.679 -4.660 -2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.076 -5.748 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.228 -6.368 -2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.093 -7.389 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.158 -7.934 -0.971 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.550 -4.633 1.846 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.985 -3.961 3.059 1.00 0.00 C ATOM 1052 C ARG A 72 -13.782 -3.635 3.946 1.00 0.00 C ATOM 1053 O ARG A 72 -13.650 -2.512 4.431 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.970 -4.829 3.846 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.230 -5.110 3.025 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.398 -5.503 3.932 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.515 -6.032 3.118 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.695 -6.419 3.622 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.919 -6.338 4.941 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.651 -6.886 2.807 1.00 0.00 N ATOM 0 H ARG A 72 -15.076 -5.476 1.613 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.485 -3.038 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.493 -5.770 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.241 -4.327 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.496 -4.226 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.033 -5.911 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.074 -6.255 4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.732 -4.638 4.504 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.378 -6.107 2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.191 -5.982 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.817 -6.632 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.480 -6.947 1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.549 -7.181 3.191 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.934 -4.637 4.131 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.746 -4.470 4.951 1.00 0.00 C ATOM 1076 C ASP A 73 -10.729 -3.610 4.199 1.00 0.00 C ATOM 1077 O ASP A 73 -10.310 -2.564 4.693 1.00 0.00 O ATOM 1078 CB ASP A 73 -11.092 -5.820 5.253 1.00 0.00 C ATOM 1079 CG ASP A 73 -12.065 -6.944 5.612 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -12.749 -7.422 4.682 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -12.104 -7.300 6.810 1.00 0.00 O ATOM 0 H ASP A 73 -13.046 -5.567 3.727 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.045 -3.996 5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.510 -6.127 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.390 -5.690 6.077 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.363 -4.081 3.016 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.403 -3.368 2.191 1.00 0.00 C ATOM 1088 C ALA A 74 -9.686 -1.866 2.269 1.00 0.00 C ATOM 1089 O ALA A 74 -8.764 -1.053 2.215 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.467 -3.899 0.758 1.00 0.00 C ATOM 0 H ALA A 74 -10.714 -4.948 2.609 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.389 -3.532 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.747 -3.364 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.230 -4.963 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.470 -3.749 0.359 1.00 0.00 H new ATOM 1096 N GLU A 75 -10.964 -1.543 2.396 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.380 -0.154 2.482 1.00 0.00 C ATOM 1098 C GLU A 75 -11.187 0.371 3.906 1.00 0.00 C ATOM 1099 O GLU A 75 -10.337 1.227 4.146 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.832 0.013 2.029 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.002 -0.409 0.568 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.459 -0.769 0.268 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -15.340 -0.131 0.883 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -14.658 -1.674 -0.571 1.00 0.00 O ATOM 0 H GLU A 75 -11.726 -2.220 2.441 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.754 0.434 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.486 -0.586 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.137 1.053 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.681 0.400 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.361 -1.265 0.356 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.989 -0.165 4.814 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.917 0.238 6.208 1.00 0.00 C ATOM 1113 C ASP A 76 -10.450 0.411 6.609 1.00 0.00 C ATOM 1114 O ASP A 76 -10.126 1.259 7.439 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.535 -0.823 7.121 1.00 0.00 C ATOM 1116 CG ASP A 76 -14.046 -0.699 7.326 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.629 0.216 6.706 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.583 -1.521 8.099 1.00 0.00 O ATOM 0 H ASP A 76 -12.692 -0.875 4.611 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.467 1.173 6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.319 -1.808 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.046 -0.773 8.094 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.604 -0.407 6.002 1.00 0.00 N ATOM 1124 CA ALA A 77 -8.179 -0.356 6.285 1.00 0.00 C ATOM 1125 C ALA A 77 -7.591 0.923 5.686 1.00 0.00 C ATOM 1126 O ALA A 77 -7.088 1.779 6.413 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.505 -1.617 5.743 1.00 0.00 C ATOM 0 H ALA A 77 -9.877 -1.109 5.315 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.002 -0.329 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.437 -1.578 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.938 -2.495 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.659 -1.677 4.666 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.673 1.013 4.367 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.155 2.173 3.662 1.00 0.00 C ATOM 1135 C VAL A 78 -7.792 3.440 4.236 1.00 0.00 C ATOM 1136 O VAL A 78 -7.162 4.496 4.270 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.384 2.017 2.157 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.741 2.593 1.747 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.250 2.664 1.360 1.00 0.00 C ATOM 0 H VAL A 78 -8.091 0.301 3.768 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.078 2.257 3.806 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.389 0.952 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.879 2.470 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.535 2.067 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.777 3.653 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.437 2.539 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.199 3.727 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.305 2.188 1.621 1.00 0.00 H new ATOM 1149 N TYR A 79 -9.035 3.293 4.672 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.765 4.413 5.243 1.00 0.00 C ATOM 1151 C TYR A 79 -9.243 4.752 6.640 1.00 0.00 C ATOM 1152 O TYR A 79 -9.585 5.794 7.198 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.221 3.955 5.352 1.00 0.00 C ATOM 1154 CG TYR A 79 -12.139 4.540 4.278 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.889 4.288 2.944 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.218 5.320 4.642 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.754 4.839 1.933 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.082 5.871 3.631 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.808 5.603 2.326 1.00 0.00 C ATOM 1160 OH TYR A 79 -14.625 6.124 1.371 1.00 0.00 O ATOM 0 H TYR A 79 -9.555 2.416 4.641 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.652 5.302 4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.255 2.867 5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.605 4.231 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.045 3.678 2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.414 5.517 5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.570 4.650 0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.929 6.484 3.903 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.335 6.647 1.798 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.424 3.853 7.166 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.852 4.045 8.488 1.00 0.00 C ATOM 1172 C GLY A 80 -6.358 4.364 8.398 1.00 0.00 C ATOM 1173 O GLY A 80 -5.955 5.516 8.556 1.00 0.00 O ATOM 0 H GLY A 80 -8.143 2.990 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.371 4.857 8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.000 3.146 9.086 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.577 3.324 8.144 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.137 3.480 8.030 1.00 0.00 C ATOM 1179 C ARG A 81 -3.799 4.784 7.305 1.00 0.00 C ATOM 1180 O ARG A 81 -2.833 5.460 7.654 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.514 2.306 7.272 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.430 1.062 8.159 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.352 1.226 9.232 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.338 0.042 10.120 1.00 0.00 N ATOM 1185 CZ ARG A 81 -1.833 0.040 11.361 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.298 1.158 11.869 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -1.863 -1.082 12.094 1.00 0.00 N ATOM 0 H ARG A 81 -5.914 2.370 8.014 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.726 3.505 9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.108 2.085 6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.517 2.579 6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.395 0.883 8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.208 0.188 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.376 1.351 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.542 2.127 9.816 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.738 -0.827 9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.275 2.012 11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.914 1.156 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.270 -1.933 11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.479 -1.084 13.039 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.614 5.098 6.309 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.414 6.309 5.531 1.00 0.00 C ATOM 1203 C ASP A 82 -4.083 7.467 6.475 1.00 0.00 C ATOM 1204 O ASP A 82 -4.980 8.065 7.067 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.678 6.679 4.753 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.801 8.159 4.386 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.953 8.619 3.591 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.740 8.798 4.909 1.00 0.00 O ATOM 0 H ASP A 82 -5.415 4.535 6.023 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.599 6.129 4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.708 6.089 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.548 6.393 5.345 1.00 0.00 H new ATOM 1213 N GLY A 83 -2.793 7.747 6.586 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.332 8.823 7.448 1.00 0.00 C ATOM 1215 C GLY A 83 -1.869 8.281 8.801 1.00 0.00 C ATOM 1216 O GLY A 83 -2.105 8.901 9.837 1.00 0.00 O ATOM 0 H GLY A 83 -2.052 7.248 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.512 9.355 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.136 9.544 7.597 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.216 7.129 8.749 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.717 6.496 9.958 1.00 0.00 C ATOM 1222 C TYR A 84 0.655 7.054 10.342 1.00 0.00 C ATOM 1223 O TYR A 84 1.270 7.787 9.570 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.576 5.009 9.628 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.031 4.164 10.782 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.697 4.135 11.990 1.00 0.00 C ATOM 1227 CD2 TYR A 84 1.127 3.432 10.615 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.184 3.340 13.076 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.640 2.638 11.700 1.00 0.00 C ATOM 1230 CZ TYR A 84 0.959 2.631 12.878 1.00 0.00 C ATOM 1231 OH TYR A 84 1.444 1.881 13.903 1.00 0.00 O ATOM 0 H TYR A 84 -1.021 6.618 7.888 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.394 6.676 10.793 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.550 4.619 9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.084 4.899 8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.603 4.708 12.121 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.648 3.455 9.670 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.696 3.308 14.026 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.545 2.061 11.582 1.00 0.00 H new ATOM 0 HH TYR A 84 2.265 1.428 13.617 1.00 0.00 H new ATOM 1241 N ASP A 85 1.095 6.684 11.536 1.00 0.00 N ATOM 1242 CA ASP A 85 2.383 7.138 12.032 1.00 0.00 C ATOM 1243 C ASP A 85 3.250 5.924 12.373 1.00 0.00 C ATOM 1244 O ASP A 85 3.096 5.325 13.436 1.00 0.00 O ATOM 1245 CB ASP A 85 2.220 7.974 13.303 1.00 0.00 C ATOM 1246 CG ASP A 85 3.487 8.120 14.148 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.526 8.485 13.556 1.00 0.00 O ATOM 1248 OD2 ASP A 85 3.389 7.862 15.368 1.00 0.00 O ATOM 0 H ASP A 85 0.583 6.075 12.174 1.00 0.00 H new ATOM 0 HA ASP A 85 2.847 7.747 11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.871 8.968 13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.441 7.524 13.918 1.00 0.00 H new ATOM 1253 N TYR A 86 4.143 5.598 11.450 1.00 0.00 N ATOM 1254 CA TYR A 86 5.035 4.466 11.639 1.00 0.00 C ATOM 1255 C TYR A 86 6.411 4.928 12.124 1.00 0.00 C ATOM 1256 O TYR A 86 7.259 5.314 11.321 1.00 0.00 O ATOM 1257 CB TYR A 86 5.185 3.813 10.264 1.00 0.00 C ATOM 1258 CG TYR A 86 5.844 2.433 10.299 1.00 0.00 C ATOM 1259 CD1 TYR A 86 7.218 2.326 10.380 1.00 0.00 C ATOM 1260 CD2 TYR A 86 5.065 1.294 10.249 1.00 0.00 C ATOM 1261 CE1 TYR A 86 7.839 1.027 10.414 1.00 0.00 C ATOM 1262 CE2 TYR A 86 5.686 -0.004 10.283 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.042 -0.074 10.363 1.00 0.00 C ATOM 1264 OH TYR A 86 7.628 -1.301 10.394 1.00 0.00 O ATOM 0 H TYR A 86 4.268 6.098 10.570 1.00 0.00 H new ATOM 0 HA TYR A 86 4.633 3.781 12.385 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.200 3.722 9.807 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.774 4.470 9.624 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.827 3.217 10.418 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.990 1.377 10.184 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.913 0.929 10.478 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.088 -0.903 10.246 1.00 0.00 H new ATOM 0 HH TYR A 86 7.193 -1.854 11.076 1.00 0.00 H new ATOM 1274 N ASP A 87 6.590 4.872 13.435 1.00 0.00 N ATOM 1275 CA ASP A 87 7.849 5.280 14.037 1.00 0.00 C ATOM 1276 C ASP A 87 8.171 6.714 13.613 1.00 0.00 C ATOM 1277 O ASP A 87 9.338 7.075 13.469 1.00 0.00 O ATOM 1278 CB ASP A 87 8.997 4.380 13.574 1.00 0.00 C ATOM 1279 CG ASP A 87 10.276 4.485 14.406 1.00 0.00 C ATOM 1280 OD1 ASP A 87 10.141 4.574 15.646 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.361 4.474 13.784 1.00 0.00 O ATOM 0 H ASP A 87 5.885 4.550 14.098 1.00 0.00 H new ATOM 0 HA ASP A 87 7.746 5.205 15.120 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.656 3.345 13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.234 4.623 12.538 1.00 0.00 H new ATOM 1286 N GLY A 88 7.116 7.492 13.424 1.00 0.00 N ATOM 1287 CA GLY A 88 7.271 8.879 13.019 1.00 0.00 C ATOM 1288 C GLY A 88 7.004 9.047 11.522 1.00 0.00 C ATOM 1289 O GLY A 88 6.461 10.065 11.095 1.00 0.00 O ATOM 0 H GLY A 88 6.150 7.188 13.544 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.584 9.506 13.587 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.280 9.219 13.252 1.00 0.00 H new ATOM 1293 N TYR A 89 7.397 8.032 10.766 1.00 0.00 N ATOM 1294 CA TYR A 89 7.207 8.055 9.326 1.00 0.00 C ATOM 1295 C TYR A 89 5.726 7.916 8.966 1.00 0.00 C ATOM 1296 O TYR A 89 5.146 6.841 9.114 1.00 0.00 O ATOM 1297 CB TYR A 89 7.967 6.844 8.781 1.00 0.00 C ATOM 1298 CG TYR A 89 9.476 6.893 9.030 1.00 0.00 C ATOM 1299 CD1 TYR A 89 10.305 7.518 8.121 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.007 6.312 10.163 1.00 0.00 C ATOM 1301 CE1 TYR A 89 11.725 7.564 8.356 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.427 6.358 10.398 1.00 0.00 C ATOM 1303 CZ TYR A 89 12.216 6.982 9.482 1.00 0.00 C ATOM 1304 OH TYR A 89 13.557 7.025 9.704 1.00 0.00 O ATOM 0 H TYR A 89 7.846 7.189 11.124 1.00 0.00 H new ATOM 0 HA TYR A 89 7.563 8.996 8.907 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.563 5.940 9.236 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.788 6.768 7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.889 7.972 7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.358 5.823 10.874 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.385 8.050 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.856 5.908 11.281 1.00 0.00 H new ATOM 0 HH TYR A 89 13.764 6.570 10.547 1.00 0.00 H new ATOM 1314 N ARG A 90 5.157 9.018 8.501 1.00 0.00 N ATOM 1315 CA ARG A 90 3.755 9.033 8.120 1.00 0.00 C ATOM 1316 C ARG A 90 3.556 8.284 6.801 1.00 0.00 C ATOM 1317 O ARG A 90 4.232 8.568 5.813 1.00 0.00 O ATOM 1318 CB ARG A 90 3.241 10.466 7.967 1.00 0.00 C ATOM 1319 CG ARG A 90 2.487 10.915 9.220 1.00 0.00 C ATOM 1320 CD ARG A 90 1.046 11.304 8.884 1.00 0.00 C ATOM 1321 NE ARG A 90 0.522 12.238 9.905 1.00 0.00 N ATOM 1322 CZ ARG A 90 0.867 13.531 9.988 1.00 0.00 C ATOM 1323 NH1 ARG A 90 1.737 14.049 9.111 1.00 0.00 N ATOM 1324 NH2 ARG A 90 0.341 14.304 10.947 1.00 0.00 N ATOM 0 H ARG A 90 5.642 9.907 8.379 1.00 0.00 H new ATOM 0 HA ARG A 90 3.191 8.539 8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.078 11.139 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.583 10.530 7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.488 10.112 9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.000 11.763 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.007 11.770 7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.421 10.412 8.840 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.143 11.876 10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.137 13.460 8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.000 15.033 9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.322 13.909 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.603 15.288 11.010 1.00 0.00 H new ATOM 1338 N LEU A 91 2.624 7.342 6.827 1.00 0.00 N ATOM 1339 CA LEU A 91 2.328 6.550 5.646 1.00 0.00 C ATOM 1340 C LEU A 91 1.126 7.156 4.919 1.00 0.00 C ATOM 1341 O LEU A 91 0.270 7.782 5.542 1.00 0.00 O ATOM 1342 CB LEU A 91 2.141 5.078 6.021 1.00 0.00 C ATOM 1343 CG LEU A 91 3.115 4.522 7.061 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.809 3.055 7.370 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.565 4.724 6.618 1.00 0.00 C ATOM 0 H LEU A 91 2.064 7.110 7.648 1.00 0.00 H new ATOM 0 HA LEU A 91 3.167 6.574 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.126 4.945 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.227 4.479 5.115 1.00 0.00 H new ATOM 0 HG LEU A 91 2.981 5.081 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.516 2.684 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.795 2.969 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.898 2.465 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.237 4.320 7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.732 4.208 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.761 5.788 6.490 1.00 0.00 H new ATOM 1357 N ARG A 92 1.102 6.951 3.610 1.00 0.00 N ATOM 1358 CA ARG A 92 0.019 7.470 2.791 1.00 0.00 C ATOM 1359 C ARG A 92 -0.681 6.328 2.051 1.00 0.00 C ATOM 1360 O ARG A 92 -0.212 5.883 1.005 1.00 0.00 O ATOM 1361 CB ARG A 92 0.538 8.486 1.772 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.344 9.736 1.746 1.00 0.00 C ATOM 1363 CD ARG A 92 0.280 10.830 0.878 1.00 0.00 C ATOM 1364 NE ARG A 92 1.231 11.632 1.680 1.00 0.00 N ATOM 1365 CZ ARG A 92 2.050 12.560 1.167 1.00 0.00 C ATOM 1366 NH1 ARG A 92 2.039 12.809 -0.150 1.00 0.00 N ATOM 1367 NH2 ARG A 92 2.880 13.239 1.970 1.00 0.00 N ATOM 0 H ARG A 92 1.815 6.433 3.096 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.690 7.966 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.562 8.764 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.562 8.033 0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.331 9.481 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.484 10.108 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.796 10.382 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.501 11.474 0.473 1.00 0.00 H new ATOM 0 HE ARG A 92 1.265 11.468 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.407 12.292 -0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 92 2.662 13.515 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 92 2.889 13.050 2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 92 3.503 13.945 1.579 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.792 5.888 2.624 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.561 4.807 2.031 1.00 0.00 C ATOM 1383 C VAL A 93 -3.693 5.396 1.187 1.00 0.00 C ATOM 1384 O VAL A 93 -4.478 6.207 1.674 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.061 3.860 3.124 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.441 2.499 2.539 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -2.020 3.708 4.235 1.00 0.00 C ATOM 0 H VAL A 93 -2.178 6.260 3.492 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.935 4.213 1.366 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.958 4.298 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.793 1.845 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.232 2.628 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.569 2.052 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.400 3.030 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.098 3.304 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.819 4.682 4.681 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.741 4.963 -0.065 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.763 5.438 -0.982 1.00 0.00 C ATOM 1399 C GLU A 94 -4.920 4.464 -2.152 1.00 0.00 C ATOM 1400 O GLU A 94 -3.955 3.820 -2.561 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.441 6.847 -1.481 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.154 6.856 -2.307 1.00 0.00 C ATOM 1403 CD GLU A 94 -3.065 8.116 -3.171 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -2.965 9.208 -2.572 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -3.098 7.958 -4.410 1.00 0.00 O ATOM 0 H GLU A 94 -3.089 4.289 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.710 5.487 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.268 7.220 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.337 7.522 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.291 6.805 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.120 5.972 -2.943 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.143 4.387 -2.656 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.438 3.503 -3.771 1.00 0.00 C ATOM 1414 C PHE A 95 -5.792 4.013 -5.061 1.00 0.00 C ATOM 1415 O PHE A 95 -5.614 5.217 -5.236 1.00 0.00 O ATOM 1416 CB PHE A 95 -7.958 3.495 -3.945 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.686 2.531 -3.005 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.363 1.209 -3.004 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.656 2.995 -2.173 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.039 0.315 -2.132 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.332 2.100 -1.301 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.009 0.779 -1.299 1.00 0.00 C ATOM 0 H PHE A 95 -6.941 4.922 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.046 2.506 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.338 4.503 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.194 3.230 -4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.593 0.840 -3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.913 4.044 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.783 -0.734 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.102 2.469 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.523 0.098 -0.636 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.451 3.046 -5.954 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.829 3.384 -7.223 1.00 0.00 C ATOM 1434 C PRO A 96 -5.853 3.970 -8.197 1.00 0.00 C ATOM 1435 O PRO A 96 -5.595 4.989 -8.836 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.214 2.085 -7.718 1.00 0.00 C ATOM 1437 CG PRO A 96 -4.907 0.975 -6.946 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.647 1.609 -5.780 1.00 0.00 C ATOM 0 HA PRO A 96 -4.068 4.158 -7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.363 1.966 -8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.138 2.070 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.601 0.437 -7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.179 0.248 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.705 1.349 -5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.248 1.268 -4.825 1.00 0.00 H new