USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=9 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= 0.0937 K(o=0.094,f=-0.67) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.126 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 USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -1.52 (180deg=-1.62) 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 90:sc= -1.77 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -7.145 -4.148 -3.715 1.00 0.00 N ATOM 264 CA ARG A 24 -5.782 -3.688 -3.920 1.00 0.00 C ATOM 265 C ARG A 24 -5.648 -2.222 -3.502 1.00 0.00 C ATOM 266 O ARG A 24 -6.264 -1.343 -4.103 1.00 0.00 O ATOM 267 CB ARG A 24 -5.366 -3.834 -5.385 1.00 0.00 C ATOM 268 CG ARG A 24 -5.309 -5.307 -5.794 1.00 0.00 C ATOM 269 CD ARG A 24 -5.313 -5.453 -7.318 1.00 0.00 C ATOM 270 NE ARG A 24 -4.020 -4.993 -7.873 1.00 0.00 N ATOM 271 CZ ARG A 24 -3.734 -4.959 -9.181 1.00 0.00 C ATOM 272 NH1 ARG A 24 -4.647 -5.359 -10.077 1.00 0.00 N ATOM 273 NH2 ARG A 24 -2.535 -4.526 -9.594 1.00 0.00 N ATOM 0 HA ARG A 24 -5.127 -4.306 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.073 -3.303 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.390 -3.372 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.411 -5.768 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.162 -5.839 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.486 -6.494 -7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.130 -4.871 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.302 -4.683 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.559 -5.689 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.429 -5.333 -11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.840 -4.222 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.317 -4.500 -10.590 1.00 0.00 H new ATOM 287 N ILE A 25 -4.839 -2.004 -2.476 1.00 0.00 N ATOM 288 CA ILE A 25 -4.617 -0.660 -1.971 1.00 0.00 C ATOM 289 C ILE A 25 -3.141 -0.294 -2.141 1.00 0.00 C ATOM 290 O ILE A 25 -2.280 -1.172 -2.173 1.00 0.00 O ATOM 291 CB ILE A 25 -5.118 -0.538 -0.531 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.433 -1.562 0.377 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.643 -0.650 -0.470 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.232 -0.998 1.785 1.00 0.00 C ATOM 0 H ILE A 25 -4.329 -2.736 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.195 0.063 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.851 0.452 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.035 -2.469 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.469 -1.842 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.973 -0.560 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.090 0.147 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.953 -1.617 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.743 -1.745 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.609 -0.105 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.200 -0.741 2.216 1.00 0.00 H new ATOM 306 N TYR A 26 -2.894 1.003 -2.245 1.00 0.00 N ATOM 307 CA TYR A 26 -1.537 1.496 -2.411 1.00 0.00 C ATOM 308 C TYR A 26 -1.066 2.238 -1.158 1.00 0.00 C ATOM 309 O TYR A 26 -1.760 3.122 -0.658 1.00 0.00 O ATOM 310 CB TYR A 26 -1.585 2.478 -3.583 1.00 0.00 C ATOM 311 CG TYR A 26 -0.344 3.365 -3.704 1.00 0.00 C ATOM 312 CD1 TYR A 26 -0.248 4.523 -2.960 1.00 0.00 C ATOM 313 CD2 TYR A 26 0.680 3.005 -4.556 1.00 0.00 C ATOM 314 CE1 TYR A 26 0.920 5.357 -3.074 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.849 3.839 -4.669 1.00 0.00 C ATOM 316 CZ TYR A 26 1.911 4.974 -3.923 1.00 0.00 C ATOM 317 OH TYR A 26 3.014 5.762 -4.030 1.00 0.00 O ATOM 0 H TYR A 26 -3.611 1.728 -2.218 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.848 0.670 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.709 1.917 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.464 3.114 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.049 4.804 -2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.605 2.098 -5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.007 6.266 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.658 3.569 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 26 3.639 5.364 -4.672 1.00 0.00 H new ATOM 327 N VAL A 27 0.110 1.850 -0.687 1.00 0.00 N ATOM 328 CA VAL A 27 0.682 2.467 0.498 1.00 0.00 C ATOM 329 C VAL A 27 1.946 3.236 0.107 1.00 0.00 C ATOM 330 O VAL A 27 2.844 2.681 -0.525 1.00 0.00 O ATOM 331 CB VAL A 27 0.935 1.405 1.570 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.502 2.037 2.843 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.340 0.615 1.871 1.00 0.00 C ATOM 0 H VAL A 27 0.682 1.116 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.015 3.185 0.930 1.00 0.00 H new ATOM 0 HB VAL A 27 1.677 0.707 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.673 1.261 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.445 2.534 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.793 2.767 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.132 -0.133 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.113 1.295 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.684 0.120 0.963 1.00 0.00 H new ATOM 343 N GLY A 28 1.976 4.501 0.501 1.00 0.00 N ATOM 344 CA GLY A 28 3.115 5.351 0.200 1.00 0.00 C ATOM 345 C GLY A 28 3.659 6.008 1.470 1.00 0.00 C ATOM 346 O GLY A 28 3.202 5.710 2.572 1.00 0.00 O ATOM 0 H GLY A 28 1.230 4.957 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.899 4.760 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.821 6.120 -0.514 1.00 0.00 H new ATOM 350 N ASN A 29 4.628 6.890 1.273 1.00 0.00 N ATOM 351 CA ASN A 29 5.239 7.592 2.389 1.00 0.00 C ATOM 352 C ASN A 29 5.711 6.574 3.429 1.00 0.00 C ATOM 353 O ASN A 29 5.370 6.681 4.606 1.00 0.00 O ATOM 354 CB ASN A 29 4.237 8.530 3.065 1.00 0.00 C ATOM 355 CG ASN A 29 4.205 9.892 2.369 1.00 0.00 C ATOM 356 OD1 ASN A 29 4.590 10.041 1.221 1.00 0.00 O ATOM 357 ND2 ASN A 29 3.726 10.875 3.126 1.00 0.00 N ATOM 0 H ASN A 29 5.005 7.134 0.357 1.00 0.00 H new ATOM 0 HA ASN A 29 6.075 8.176 2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.243 8.083 3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.505 8.660 4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.664 11.822 2.753 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.421 10.682 4.080 1.00 0.00 H new ATOM 364 N LEU A 30 6.487 5.610 2.957 1.00 0.00 N ATOM 365 CA LEU A 30 7.009 4.574 3.832 1.00 0.00 C ATOM 366 C LEU A 30 8.445 4.922 4.228 1.00 0.00 C ATOM 367 O LEU A 30 9.108 5.704 3.549 1.00 0.00 O ATOM 368 CB LEU A 30 6.868 3.198 3.176 1.00 0.00 C ATOM 369 CG LEU A 30 5.450 2.629 3.109 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.314 1.631 1.958 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.041 2.016 4.450 1.00 0.00 C ATOM 0 H LEU A 30 6.767 5.524 1.980 1.00 0.00 H new ATOM 0 HA LEU A 30 6.428 4.524 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.262 3.259 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.496 2.492 3.720 1.00 0.00 H new ATOM 0 HG LEU A 30 4.762 3.450 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.296 1.241 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.535 2.131 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.014 0.808 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.029 1.619 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.729 1.210 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.074 2.782 5.225 1.00 0.00 H new ATOM 383 N PRO A 31 8.894 4.310 5.356 1.00 0.00 N ATOM 384 CA PRO A 31 10.240 4.547 5.851 1.00 0.00 C ATOM 385 C PRO A 31 11.276 3.813 4.998 1.00 0.00 C ATOM 386 O PRO A 31 10.924 2.954 4.191 1.00 0.00 O ATOM 387 CB PRO A 31 10.217 4.073 7.295 1.00 0.00 C ATOM 388 CG PRO A 31 9.004 3.165 7.417 1.00 0.00 C ATOM 389 CD PRO A 31 8.137 3.378 6.187 1.00 0.00 C ATOM 0 HA PRO A 31 10.530 5.596 5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.133 3.537 7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.144 4.916 7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.313 2.122 7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.444 3.396 8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.955 2.439 5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.163 3.788 6.455 1.00 0.00 H new ATOM 397 N PRO A 32 12.566 4.188 5.211 1.00 0.00 N ATOM 398 CA PRO A 32 13.655 3.575 4.470 1.00 0.00 C ATOM 399 C PRO A 32 13.944 2.164 4.987 1.00 0.00 C ATOM 400 O PRO A 32 14.381 1.299 4.230 1.00 0.00 O ATOM 401 CB PRO A 32 14.831 4.523 4.643 1.00 0.00 C ATOM 402 CG PRO A 32 14.496 5.387 5.848 1.00 0.00 C ATOM 403 CD PRO A 32 13.019 5.202 6.158 1.00 0.00 C ATOM 0 HA PRO A 32 13.421 3.440 3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.757 3.971 4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.974 5.134 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.105 5.099 6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.714 6.434 5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 32 12.868 4.878 7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.468 6.134 6.033 1.00 0.00 H new ATOM 411 N ASP A 33 13.688 1.976 6.273 1.00 0.00 N ATOM 412 CA ASP A 33 13.915 0.685 6.900 1.00 0.00 C ATOM 413 C ASP A 33 12.572 -0.020 7.106 1.00 0.00 C ATOM 414 O ASP A 33 12.289 -0.519 8.194 1.00 0.00 O ATOM 415 CB ASP A 33 14.578 0.846 8.269 1.00 0.00 C ATOM 416 CG ASP A 33 15.437 -0.339 8.716 1.00 0.00 C ATOM 417 OD1 ASP A 33 15.604 -1.262 7.889 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.906 -0.295 9.873 1.00 0.00 O ATOM 0 H ASP A 33 13.326 2.696 6.898 1.00 0.00 H new ATOM 0 HA ASP A 33 14.568 0.104 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.201 1.740 8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.801 1.014 9.015 1.00 0.00 H new ATOM 423 N ILE A 34 11.781 -0.040 6.043 1.00 0.00 N ATOM 424 CA ILE A 34 10.476 -0.675 6.093 1.00 0.00 C ATOM 425 C ILE A 34 10.587 -2.102 5.551 1.00 0.00 C ATOM 426 O ILE A 34 11.488 -2.405 4.771 1.00 0.00 O ATOM 427 CB ILE A 34 9.435 0.179 5.367 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.016 -0.292 5.690 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.702 0.205 3.861 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.617 0.104 7.113 1.00 0.00 C ATOM 0 H ILE A 34 12.020 0.374 5.142 1.00 0.00 H new ATOM 0 HA ILE A 34 10.129 -0.750 7.124 1.00 0.00 H new ATOM 0 HB ILE A 34 9.523 1.204 5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.314 0.142 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.954 -1.375 5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.948 0.819 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.690 0.625 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.658 -0.810 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.604 -0.243 7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.306 -0.351 7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.656 1.189 7.213 1.00 0.00 H new ATOM 442 N ARG A 35 9.657 -2.940 5.986 1.00 0.00 N ATOM 443 CA ARG A 35 9.639 -4.327 5.554 1.00 0.00 C ATOM 444 C ARG A 35 8.237 -4.719 5.085 1.00 0.00 C ATOM 445 O ARG A 35 7.245 -4.371 5.724 1.00 0.00 O ATOM 446 CB ARG A 35 10.071 -5.262 6.685 1.00 0.00 C ATOM 447 CG ARG A 35 11.596 -5.314 6.802 1.00 0.00 C ATOM 448 CD ARG A 35 12.149 -6.604 6.194 1.00 0.00 C ATOM 449 NE ARG A 35 13.597 -6.718 6.479 1.00 0.00 N ATOM 450 CZ ARG A 35 14.335 -7.802 6.202 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.765 -8.872 5.632 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.642 -7.815 6.495 1.00 0.00 N ATOM 0 H ARG A 35 8.911 -2.685 6.633 1.00 0.00 H new ATOM 0 HA ARG A 35 10.343 -4.426 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.642 -4.921 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.682 -6.264 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.033 -4.453 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.886 -5.248 7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.620 -7.465 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.980 -6.610 5.117 1.00 0.00 H new ATOM 0 HE ARG A 35 14.063 -5.921 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.770 -8.862 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.326 -9.697 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.076 -7.000 6.929 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.204 -8.640 6.284 1.00 0.00 H new ATOM 466 N THR A 36 8.198 -5.438 3.973 1.00 0.00 N ATOM 467 CA THR A 36 6.934 -5.881 3.411 1.00 0.00 C ATOM 468 C THR A 36 6.096 -6.590 4.477 1.00 0.00 C ATOM 469 O THR A 36 4.870 -6.486 4.480 1.00 0.00 O ATOM 470 CB THR A 36 7.238 -6.758 2.195 1.00 0.00 C ATOM 471 OG1 THR A 36 8.423 -6.190 1.645 1.00 0.00 O ATOM 472 CG2 THR A 36 6.198 -6.598 1.083 1.00 0.00 C ATOM 0 H THR A 36 9.023 -5.725 3.446 1.00 0.00 H new ATOM 0 HA THR A 36 6.332 -5.036 3.078 1.00 0.00 H new ATOM 0 HB THR A 36 7.283 -7.803 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.692 -6.699 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.461 -7.242 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.215 -6.878 1.461 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.177 -5.560 0.751 1.00 0.00 H new ATOM 480 N LYS A 37 6.791 -7.295 5.358 1.00 0.00 N ATOM 481 CA LYS A 37 6.126 -8.021 6.427 1.00 0.00 C ATOM 482 C LYS A 37 5.601 -7.026 7.464 1.00 0.00 C ATOM 483 O LYS A 37 4.424 -7.057 7.818 1.00 0.00 O ATOM 484 CB LYS A 37 7.057 -9.085 7.011 1.00 0.00 C ATOM 485 CG LYS A 37 6.299 -10.384 7.291 1.00 0.00 C ATOM 486 CD LYS A 37 6.797 -11.515 6.390 1.00 0.00 C ATOM 487 CE LYS A 37 6.191 -12.857 6.808 1.00 0.00 C ATOM 488 NZ LYS A 37 6.556 -13.914 5.839 1.00 0.00 N ATOM 0 H LYS A 37 7.808 -7.379 5.353 1.00 0.00 H new ATOM 0 HA LYS A 37 5.263 -8.563 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.874 -9.279 6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.504 -8.715 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.426 -10.665 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.232 -10.229 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.536 -11.301 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.884 -11.572 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.545 -13.129 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.106 -12.770 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.137 -14.818 6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.197 -13.660 4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.591 -14.008 5.801 1.00 0.00 H new ATOM 502 N ASP A 38 6.501 -6.167 7.921 1.00 0.00 N ATOM 503 CA ASP A 38 6.143 -5.165 8.910 1.00 0.00 C ATOM 504 C ASP A 38 4.907 -4.401 8.431 1.00 0.00 C ATOM 505 O ASP A 38 4.036 -4.059 9.230 1.00 0.00 O ATOM 506 CB ASP A 38 7.276 -4.156 9.107 1.00 0.00 C ATOM 507 CG ASP A 38 8.467 -4.671 9.918 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.541 -5.906 10.095 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.275 -3.817 10.343 1.00 0.00 O ATOM 0 H ASP A 38 7.477 -6.145 7.625 1.00 0.00 H new ATOM 0 HA ASP A 38 5.948 -5.676 9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.633 -3.838 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.873 -3.272 9.602 1.00 0.00 H new ATOM 514 N ILE A 39 4.870 -4.155 7.130 1.00 0.00 N ATOM 515 CA ILE A 39 3.755 -3.437 6.536 1.00 0.00 C ATOM 516 C ILE A 39 2.530 -4.353 6.490 1.00 0.00 C ATOM 517 O ILE A 39 1.396 -3.878 6.480 1.00 0.00 O ATOM 518 CB ILE A 39 4.150 -2.870 5.170 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.451 -2.071 5.264 1.00 0.00 C ATOM 520 CG2 ILE A 39 3.011 -2.043 4.570 1.00 0.00 C ATOM 521 CD1 ILE A 39 6.175 -2.042 3.916 1.00 0.00 C ATOM 0 H ILE A 39 5.594 -4.440 6.470 1.00 0.00 H new ATOM 0 HA ILE A 39 3.487 -2.576 7.148 1.00 0.00 H new ATOM 0 HB ILE A 39 4.333 -3.705 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.234 -1.053 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.100 -2.513 6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.317 -1.652 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.130 -2.673 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.773 -1.214 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.097 -1.468 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.412 -3.060 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.533 -1.577 3.168 1.00 0.00 H new ATOM 533 N GLU A 40 2.802 -5.649 6.465 1.00 0.00 N ATOM 534 CA GLU A 40 1.736 -6.636 6.421 1.00 0.00 C ATOM 535 C GLU A 40 1.047 -6.734 7.784 1.00 0.00 C ATOM 536 O GLU A 40 -0.111 -6.345 7.928 1.00 0.00 O ATOM 537 CB GLU A 40 2.269 -7.999 5.977 1.00 0.00 C ATOM 538 CG GLU A 40 1.512 -9.136 6.667 1.00 0.00 C ATOM 539 CD GLU A 40 1.609 -10.431 5.858 1.00 0.00 C ATOM 540 OE1 GLU A 40 1.241 -10.382 4.664 1.00 0.00 O ATOM 541 OE2 GLU A 40 2.048 -11.439 6.451 1.00 0.00 O ATOM 0 H GLU A 40 3.745 -6.039 6.474 1.00 0.00 H new ATOM 0 HA GLU A 40 0.999 -6.314 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.172 -8.097 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.331 -8.071 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.920 -9.296 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.465 -8.858 6.791 1.00 0.00 H new ATOM 548 N ASP A 41 1.789 -7.256 8.750 1.00 0.00 N ATOM 549 CA ASP A 41 1.264 -7.410 10.096 1.00 0.00 C ATOM 550 C ASP A 41 0.450 -6.169 10.467 1.00 0.00 C ATOM 551 O ASP A 41 -0.493 -6.252 11.251 1.00 0.00 O ATOM 552 CB ASP A 41 2.396 -7.555 11.115 1.00 0.00 C ATOM 553 CG ASP A 41 1.965 -7.448 12.579 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.386 -8.439 13.074 1.00 0.00 O ATOM 555 OD2 ASP A 41 2.225 -6.378 13.170 1.00 0.00 O ATOM 0 H ASP A 41 2.749 -7.577 8.627 1.00 0.00 H new ATOM 0 HA ASP A 41 0.644 -8.306 10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.879 -8.520 10.964 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.145 -6.789 10.915 1.00 0.00 H new ATOM 560 N VAL A 42 0.845 -5.046 9.885 1.00 0.00 N ATOM 561 CA VAL A 42 0.165 -3.789 10.145 1.00 0.00 C ATOM 562 C VAL A 42 -1.300 -3.909 9.718 1.00 0.00 C ATOM 563 O VAL A 42 -2.200 -3.857 10.555 1.00 0.00 O ATOM 564 CB VAL A 42 0.898 -2.642 9.446 1.00 0.00 C ATOM 565 CG1 VAL A 42 -0.061 -1.497 9.117 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.074 -2.148 10.290 1.00 0.00 C ATOM 0 H VAL A 42 1.628 -4.981 9.234 1.00 0.00 H new ATOM 0 HA VAL A 42 0.177 -3.563 11.211 1.00 0.00 H new ATOM 0 HB VAL A 42 1.297 -3.023 8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.486 -0.695 8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.849 -1.861 8.458 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.504 -1.118 10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.578 -1.333 9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.707 -1.793 11.253 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.777 -2.966 10.449 1.00 0.00 H new ATOM 576 N PHE A 43 -1.493 -4.069 8.417 1.00 0.00 N ATOM 577 CA PHE A 43 -2.833 -4.197 7.870 1.00 0.00 C ATOM 578 C PHE A 43 -3.442 -5.556 8.223 1.00 0.00 C ATOM 579 O PHE A 43 -4.658 -5.728 8.168 1.00 0.00 O ATOM 580 CB PHE A 43 -2.707 -4.088 6.349 1.00 0.00 C ATOM 581 CG PHE A 43 -2.528 -2.656 5.841 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.280 -2.130 5.715 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.616 -1.908 5.515 1.00 0.00 C ATOM 584 CE1 PHE A 43 -1.113 -0.801 5.243 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.450 -0.579 5.043 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.202 -0.054 4.917 1.00 0.00 C ATOM 0 H PHE A 43 -0.744 -4.113 7.726 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.479 -3.421 8.282 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.858 -4.688 6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.597 -4.517 5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.416 -2.723 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.607 -2.325 5.615 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.122 -0.384 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.314 0.014 4.784 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.075 0.957 4.558 1.00 0.00 H new ATOM 596 N TYR A 44 -2.567 -6.486 8.577 1.00 0.00 N ATOM 597 CA TYR A 44 -3.003 -7.824 8.939 1.00 0.00 C ATOM 598 C TYR A 44 -3.994 -7.781 10.105 1.00 0.00 C ATOM 599 O TYR A 44 -4.697 -8.757 10.362 1.00 0.00 O ATOM 600 CB TYR A 44 -1.744 -8.572 9.383 1.00 0.00 C ATOM 601 CG TYR A 44 -1.833 -10.090 9.220 1.00 0.00 C ATOM 602 CD1 TYR A 44 -1.446 -10.681 8.034 1.00 0.00 C ATOM 603 CD2 TYR A 44 -2.300 -10.870 10.259 1.00 0.00 C ATOM 604 CE1 TYR A 44 -1.530 -12.110 7.880 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.383 -12.300 10.105 1.00 0.00 C ATOM 606 CZ TYR A 44 -1.994 -12.849 8.923 1.00 0.00 C ATOM 607 OH TYR A 44 -2.073 -14.199 8.778 1.00 0.00 O ATOM 0 H TYR A 44 -1.559 -6.339 8.621 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.501 -8.306 8.098 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.894 -8.204 8.809 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.546 -8.340 10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.080 -10.071 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.603 -10.408 11.187 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.231 -12.584 6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.746 -12.922 10.910 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.421 -14.597 9.603 1.00 0.00 H new ATOM 617 N LYS A 45 -4.018 -6.640 10.778 1.00 0.00 N ATOM 618 CA LYS A 45 -4.911 -6.457 11.909 1.00 0.00 C ATOM 619 C LYS A 45 -6.343 -6.286 11.400 1.00 0.00 C ATOM 620 O LYS A 45 -7.295 -6.357 12.177 1.00 0.00 O ATOM 621 CB LYS A 45 -4.429 -5.303 12.791 1.00 0.00 C ATOM 622 CG LYS A 45 -5.099 -3.988 12.387 1.00 0.00 C ATOM 623 CD LYS A 45 -6.322 -3.705 13.261 1.00 0.00 C ATOM 624 CE LYS A 45 -5.914 -3.033 14.574 1.00 0.00 C ATOM 625 NZ LYS A 45 -7.077 -2.921 15.483 1.00 0.00 N ATOM 0 H LYS A 45 -3.433 -5.833 10.561 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.903 -7.340 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.650 -5.522 13.836 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.347 -5.204 12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.385 -3.169 12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.399 -4.035 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.019 -3.064 12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.846 -4.637 13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.124 -3.610 15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.507 -2.042 14.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.782 -2.463 16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.819 -2.351 15.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.448 -3.870 15.691 1.00 0.00 H new ATOM 639 N TYR A 46 -6.452 -6.062 10.099 1.00 0.00 N ATOM 640 CA TYR A 46 -7.753 -5.880 9.477 1.00 0.00 C ATOM 641 C TYR A 46 -8.171 -7.131 8.703 1.00 0.00 C ATOM 642 O TYR A 46 -8.932 -7.045 7.741 1.00 0.00 O ATOM 643 CB TYR A 46 -7.592 -4.718 8.495 1.00 0.00 C ATOM 644 CG TYR A 46 -7.565 -3.340 9.160 1.00 0.00 C ATOM 645 CD1 TYR A 46 -6.368 -2.805 9.591 1.00 0.00 C ATOM 646 CD2 TYR A 46 -8.738 -2.632 9.329 1.00 0.00 C ATOM 647 CE1 TYR A 46 -6.343 -1.508 10.217 1.00 0.00 C ATOM 648 CE2 TYR A 46 -8.712 -1.336 9.955 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.516 -0.838 10.368 1.00 0.00 C ATOM 650 OH TYR A 46 -7.492 0.387 10.959 1.00 0.00 O ATOM 0 H TYR A 46 -5.661 -6.002 9.458 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.515 -5.687 10.232 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.669 -4.857 7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.411 -4.747 7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.450 -3.359 9.459 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.675 -3.050 8.992 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.413 -1.078 10.559 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.622 -0.772 10.094 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.402 0.749 10.999 1.00 0.00 H new ATOM 660 N GLY A 47 -7.655 -8.266 9.153 1.00 0.00 N ATOM 661 CA GLY A 47 -7.966 -9.534 8.515 1.00 0.00 C ATOM 662 C GLY A 47 -6.691 -10.240 8.049 1.00 0.00 C ATOM 663 O GLY A 47 -5.825 -10.564 8.860 1.00 0.00 O ATOM 0 H GLY A 47 -7.024 -8.334 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.506 -10.174 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.625 -9.365 7.663 1.00 0.00 H new ATOM 667 N ALA A 48 -6.616 -10.457 6.744 1.00 0.00 N ATOM 668 CA ALA A 48 -5.461 -11.119 6.161 1.00 0.00 C ATOM 669 C ALA A 48 -5.094 -10.429 4.846 1.00 0.00 C ATOM 670 O ALA A 48 -5.920 -9.740 4.250 1.00 0.00 O ATOM 671 CB ALA A 48 -5.766 -12.607 5.973 1.00 0.00 C ATOM 0 H ALA A 48 -7.336 -10.186 6.074 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.600 -11.044 6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.900 -13.104 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.993 -13.057 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.623 -12.722 5.310 1.00 0.00 H new ATOM 677 N ILE A 49 -3.853 -10.637 4.432 1.00 0.00 N ATOM 678 CA ILE A 49 -3.365 -10.044 3.198 1.00 0.00 C ATOM 679 C ILE A 49 -3.072 -11.152 2.185 1.00 0.00 C ATOM 680 O ILE A 49 -2.468 -12.168 2.528 1.00 0.00 O ATOM 681 CB ILE A 49 -2.168 -9.133 3.478 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.609 -7.849 4.183 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.387 -8.844 2.195 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.422 -7.157 4.856 1.00 0.00 C ATOM 0 H ILE A 49 -3.170 -11.208 4.929 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.127 -9.402 2.756 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.492 -9.655 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.067 -7.173 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.369 -8.082 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.542 -8.194 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.022 -9.780 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.040 -8.351 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.763 -6.247 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.981 -7.827 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.675 -6.903 4.104 1.00 0.00 H new ATOM 696 N ARG A 50 -3.512 -10.919 0.957 1.00 0.00 N ATOM 697 CA ARG A 50 -3.304 -11.885 -0.108 1.00 0.00 C ATOM 698 C ARG A 50 -1.837 -11.888 -0.543 1.00 0.00 C ATOM 699 O ARG A 50 -1.214 -12.945 -0.631 1.00 0.00 O ATOM 700 CB ARG A 50 -4.186 -11.570 -1.317 1.00 0.00 C ATOM 701 CG ARG A 50 -4.502 -12.840 -2.111 1.00 0.00 C ATOM 702 CD ARG A 50 -5.704 -12.625 -3.034 1.00 0.00 C ATOM 703 NE ARG A 50 -5.499 -13.350 -4.308 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.294 -13.224 -5.379 1.00 0.00 C ATOM 705 NH1 ARG A 50 -7.350 -12.400 -5.337 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.032 -13.921 -6.493 1.00 0.00 N ATOM 0 H ARG A 50 -4.012 -10.075 0.676 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.574 -12.868 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.114 -11.105 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.682 -10.850 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.633 -13.130 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.709 -13.661 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.614 -12.977 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.838 -11.561 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.703 -13.985 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.549 -11.868 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.955 -12.304 -6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.228 -14.547 -6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.637 -13.825 -7.309 1.00 0.00 H new ATOM 720 N ASP A 51 -1.328 -10.693 -0.803 1.00 0.00 N ATOM 721 CA ASP A 51 0.054 -10.544 -1.226 1.00 0.00 C ATOM 722 C ASP A 51 0.426 -9.060 -1.229 1.00 0.00 C ATOM 723 O ASP A 51 -0.451 -8.197 -1.249 1.00 0.00 O ATOM 724 CB ASP A 51 0.258 -11.085 -2.643 1.00 0.00 C ATOM 725 CG ASP A 51 1.708 -11.091 -3.131 1.00 0.00 C ATOM 726 OD1 ASP A 51 2.554 -11.633 -2.389 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.937 -10.553 -4.236 1.00 0.00 O ATOM 0 H ASP A 51 -1.848 -9.819 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 51 0.680 -11.104 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.128 -12.103 -2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.339 -10.489 -3.333 1.00 0.00 H new ATOM 732 N ILE A 52 1.726 -8.808 -1.208 1.00 0.00 N ATOM 733 CA ILE A 52 2.224 -7.443 -1.207 1.00 0.00 C ATOM 734 C ILE A 52 3.334 -7.309 -2.252 1.00 0.00 C ATOM 735 O ILE A 52 4.218 -8.161 -2.337 1.00 0.00 O ATOM 736 CB ILE A 52 2.653 -7.030 0.202 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.510 -7.218 1.201 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.195 -5.599 0.213 1.00 0.00 C ATOM 739 CD1 ILE A 52 2.015 -7.108 2.641 1.00 0.00 C ATOM 0 H ILE A 52 2.450 -9.526 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 52 1.433 -6.749 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 52 3.466 -7.684 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.740 -6.467 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.046 -8.192 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.493 -5.331 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.059 -5.532 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.420 -4.914 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.182 -7.246 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.767 -7.876 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.457 -6.124 2.798 1.00 0.00 H new ATOM 751 N ASP A 53 3.252 -6.234 -3.021 1.00 0.00 N ATOM 752 CA ASP A 53 4.238 -5.977 -4.057 1.00 0.00 C ATOM 753 C ASP A 53 5.021 -4.710 -3.708 1.00 0.00 C ATOM 754 O ASP A 53 4.528 -3.599 -3.898 1.00 0.00 O ATOM 755 CB ASP A 53 3.568 -5.760 -5.415 1.00 0.00 C ATOM 756 CG ASP A 53 3.607 -6.965 -6.356 1.00 0.00 C ATOM 757 OD1 ASP A 53 3.945 -8.062 -5.860 1.00 0.00 O ATOM 758 OD2 ASP A 53 3.297 -6.763 -7.550 1.00 0.00 O ATOM 0 H ASP A 53 2.517 -5.530 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 53 4.898 -6.843 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.527 -5.481 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.049 -4.916 -5.910 1.00 0.00 H new ATOM 763 N LEU A 54 6.228 -4.918 -3.202 1.00 0.00 N ATOM 764 CA LEU A 54 7.083 -3.806 -2.824 1.00 0.00 C ATOM 765 C LEU A 54 7.930 -3.389 -4.028 1.00 0.00 C ATOM 766 O LEU A 54 8.788 -4.146 -4.481 1.00 0.00 O ATOM 767 CB LEU A 54 7.908 -4.162 -1.585 1.00 0.00 C ATOM 768 CG LEU A 54 8.576 -2.988 -0.866 1.00 0.00 C ATOM 769 CD1 LEU A 54 9.946 -3.391 -0.315 1.00 0.00 C ATOM 770 CD2 LEU A 54 8.663 -1.763 -1.778 1.00 0.00 C ATOM 0 H LEU A 54 6.634 -5.841 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 54 6.482 -2.942 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.259 -4.675 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.682 -4.871 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 54 7.954 -2.711 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.400 -2.539 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.827 -4.212 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.589 -3.710 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.142 -0.944 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.249 -2.009 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.660 -1.462 -2.080 1.00 0.00 H new ATOM 782 N LYS A 55 7.661 -2.185 -4.511 1.00 0.00 N ATOM 783 CA LYS A 55 8.388 -1.657 -5.653 1.00 0.00 C ATOM 784 C LYS A 55 9.757 -1.153 -5.193 1.00 0.00 C ATOM 785 O LYS A 55 10.768 -1.826 -5.386 1.00 0.00 O ATOM 786 CB LYS A 55 7.554 -0.598 -6.376 1.00 0.00 C ATOM 787 CG LYS A 55 6.527 -1.248 -7.306 1.00 0.00 C ATOM 788 CD LYS A 55 5.263 -1.639 -6.539 1.00 0.00 C ATOM 789 CE LYS A 55 4.077 -1.813 -7.489 1.00 0.00 C ATOM 790 NZ LYS A 55 3.393 -3.100 -7.234 1.00 0.00 N ATOM 0 H LYS A 55 6.950 -1.560 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 55 8.568 -2.443 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.043 0.028 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.210 0.055 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.270 -0.557 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.962 -2.132 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.436 -2.567 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.031 -0.873 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.375 -0.989 -7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.423 -1.777 -8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.447 -3.082 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.948 -3.876 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.302 -3.248 -6.209 1.00 0.00 H new ATOM 880 N PRO A 61 10.046 7.939 -1.780 1.00 0.00 N ATOM 881 CA PRO A 61 9.725 6.962 -0.753 1.00 0.00 C ATOM 882 C PRO A 61 9.330 5.622 -1.376 1.00 0.00 C ATOM 883 O PRO A 61 8.863 5.575 -2.513 1.00 0.00 O ATOM 884 CB PRO A 61 8.604 7.595 0.055 1.00 0.00 C ATOM 885 CG PRO A 61 8.024 8.691 -0.824 1.00 0.00 C ATOM 886 CD PRO A 61 8.998 8.938 -1.965 1.00 0.00 C ATOM 0 HA PRO A 61 10.576 6.728 -0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.844 6.858 0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.981 8.005 0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.050 8.394 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.873 9.603 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.510 8.826 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.404 9.949 -1.928 1.00 0.00 H new ATOM 894 N PRO A 62 9.537 4.536 -0.583 1.00 0.00 N ATOM 895 CA PRO A 62 9.208 3.198 -1.045 1.00 0.00 C ATOM 896 C PRO A 62 7.695 2.968 -1.024 1.00 0.00 C ATOM 897 O PRO A 62 7.036 3.245 -0.024 1.00 0.00 O ATOM 898 CB PRO A 62 9.964 2.264 -0.115 1.00 0.00 C ATOM 899 CG PRO A 62 10.313 3.090 1.112 1.00 0.00 C ATOM 900 CD PRO A 62 10.089 4.554 0.768 1.00 0.00 C ATOM 0 HA PRO A 62 9.499 3.027 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.353 1.403 0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.863 1.879 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.692 2.797 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.349 2.921 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.402 5.025 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.021 5.117 0.808 1.00 0.00 H new ATOM 908 N PHE A 63 7.190 2.464 -2.141 1.00 0.00 N ATOM 909 CA PHE A 63 5.768 2.193 -2.263 1.00 0.00 C ATOM 910 C PHE A 63 5.516 0.715 -2.568 1.00 0.00 C ATOM 911 O PHE A 63 6.396 0.023 -3.076 1.00 0.00 O ATOM 912 CB PHE A 63 5.251 3.038 -3.430 1.00 0.00 C ATOM 913 CG PHE A 63 5.963 2.769 -4.757 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.225 3.236 -4.958 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.335 2.063 -5.735 1.00 0.00 C ATOM 916 CE1 PHE A 63 7.886 2.986 -6.190 1.00 0.00 C ATOM 917 CE2 PHE A 63 5.996 1.813 -6.966 1.00 0.00 C ATOM 918 CZ PHE A 63 7.258 2.280 -7.168 1.00 0.00 C ATOM 0 H PHE A 63 7.740 2.236 -2.969 1.00 0.00 H new ATOM 0 HA PHE A 63 5.261 2.435 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.185 2.850 -3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.361 4.093 -3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.724 3.796 -4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.333 1.692 -5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.888 3.357 -6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.497 1.252 -7.742 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.761 2.090 -8.105 1.00 0.00 H new ATOM 928 N ALA A 64 4.308 0.275 -2.244 1.00 0.00 N ATOM 929 CA ALA A 64 3.929 -1.108 -2.477 1.00 0.00 C ATOM 930 C ALA A 64 2.403 -1.217 -2.494 1.00 0.00 C ATOM 931 O ALA A 64 1.708 -0.336 -1.991 1.00 0.00 O ATOM 932 CB ALA A 64 4.565 -1.999 -1.408 1.00 0.00 C ATOM 0 H ALA A 64 3.580 0.852 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 64 4.295 -1.449 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.281 -3.037 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.650 -1.907 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.218 -1.689 -0.422 1.00 0.00 H new ATOM 938 N PHE A 65 1.926 -2.307 -3.078 1.00 0.00 N ATOM 939 CA PHE A 65 0.495 -2.543 -3.168 1.00 0.00 C ATOM 940 C PHE A 65 0.096 -3.795 -2.384 1.00 0.00 C ATOM 941 O PHE A 65 0.676 -4.862 -2.575 1.00 0.00 O ATOM 942 CB PHE A 65 0.169 -2.756 -4.647 1.00 0.00 C ATOM 943 CG PHE A 65 -0.110 -1.463 -5.416 1.00 0.00 C ATOM 944 CD1 PHE A 65 -1.373 -0.963 -5.471 1.00 0.00 C ATOM 945 CD2 PHE A 65 0.907 -0.813 -6.044 1.00 0.00 C ATOM 946 CE1 PHE A 65 -1.631 0.238 -6.184 1.00 0.00 C ATOM 947 CE2 PHE A 65 0.649 0.387 -6.757 1.00 0.00 C ATOM 948 CZ PHE A 65 -0.615 0.887 -6.812 1.00 0.00 C ATOM 0 H PHE A 65 2.505 -3.036 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.049 -1.696 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.002 -3.276 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.700 -3.409 -4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.180 -1.479 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.910 -1.210 -6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.634 0.636 -6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.456 0.903 -7.256 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.811 1.800 -7.355 1.00 0.00 H new ATOM 958 N VAL A 66 -0.891 -3.622 -1.518 1.00 0.00 N ATOM 959 CA VAL A 66 -1.375 -4.724 -0.704 1.00 0.00 C ATOM 960 C VAL A 66 -2.686 -5.249 -1.291 1.00 0.00 C ATOM 961 O VAL A 66 -3.584 -4.470 -1.610 1.00 0.00 O ATOM 962 CB VAL A 66 -1.508 -4.280 0.754 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.857 -5.463 1.658 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.234 -3.581 1.233 1.00 0.00 C ATOM 0 H VAL A 66 -1.369 -2.735 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.661 -5.548 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.326 -3.562 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.946 -5.120 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.804 -5.899 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.071 -6.215 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.355 -3.276 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.609 -4.267 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.047 -2.702 0.616 1.00 0.00 H new ATOM 974 N GLU A 67 -2.757 -6.566 -1.416 1.00 0.00 N ATOM 975 CA GLU A 67 -3.944 -7.204 -1.959 1.00 0.00 C ATOM 976 C GLU A 67 -4.741 -7.881 -0.843 1.00 0.00 C ATOM 977 O GLU A 67 -4.439 -9.009 -0.455 1.00 0.00 O ATOM 978 CB GLU A 67 -3.575 -8.207 -3.055 1.00 0.00 C ATOM 979 CG GLU A 67 -4.820 -8.674 -3.812 1.00 0.00 C ATOM 980 CD GLU A 67 -4.480 -9.023 -5.263 1.00 0.00 C ATOM 981 OE1 GLU A 67 -3.589 -8.344 -5.817 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.119 -9.963 -5.785 1.00 0.00 O ATOM 0 H GLU A 67 -2.011 -7.209 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.571 -6.435 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.872 -7.749 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.071 -9.066 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.247 -9.545 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.578 -7.891 -3.790 1.00 0.00 H new ATOM 989 N PHE A 68 -5.743 -7.164 -0.356 1.00 0.00 N ATOM 990 CA PHE A 68 -6.586 -7.682 0.708 1.00 0.00 C ATOM 991 C PHE A 68 -7.501 -8.794 0.192 1.00 0.00 C ATOM 992 O PHE A 68 -7.671 -8.953 -1.016 1.00 0.00 O ATOM 993 CB PHE A 68 -7.447 -6.518 1.203 1.00 0.00 C ATOM 994 CG PHE A 68 -6.906 -5.833 2.459 1.00 0.00 C ATOM 995 CD1 PHE A 68 -6.970 -6.467 3.661 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.361 -4.590 2.375 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.468 -5.832 4.827 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.859 -3.954 3.541 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.923 -4.589 4.743 1.00 0.00 C ATOM 0 H PHE A 68 -5.990 -6.228 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.967 -8.098 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.532 -5.779 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.453 -6.885 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.403 -7.454 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.310 -4.086 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.519 -6.336 5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.427 -2.967 3.474 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.541 -4.106 5.630 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.066 -9.536 1.133 1.00 0.00 N ATOM 1010 CA GLU A 69 -8.959 -10.629 0.788 1.00 0.00 C ATOM 1011 C GLU A 69 -10.383 -10.108 0.585 1.00 0.00 C ATOM 1012 O GLU A 69 -11.076 -10.529 -0.339 1.00 0.00 O ATOM 1013 CB GLU A 69 -8.923 -11.724 1.856 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.662 -12.580 1.722 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.712 -13.433 0.452 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -8.837 -13.636 -0.052 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -6.622 -13.863 0.015 1.00 0.00 O ATOM 0 H GLU A 69 -7.923 -9.402 2.134 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.617 -11.069 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.956 -11.271 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.807 -12.355 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.782 -11.937 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.562 -13.226 2.595 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.777 -9.198 1.465 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.105 -8.615 1.394 1.00 0.00 C ATOM 1026 C ASP A 70 -11.984 -7.104 1.182 1.00 0.00 C ATOM 1027 O ASP A 70 -11.039 -6.481 1.663 1.00 0.00 O ATOM 1028 CB ASP A 70 -12.880 -8.849 2.692 1.00 0.00 C ATOM 1029 CG ASP A 70 -12.780 -10.267 3.258 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -11.711 -10.577 3.826 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -13.775 -11.009 3.109 1.00 0.00 O ATOM 0 H ASP A 70 -10.199 -8.851 2.230 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.636 -9.087 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.520 -8.147 3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.931 -8.617 2.517 1.00 0.00 H new ATOM 1036 N PRO A 71 -12.980 -6.545 0.444 1.00 0.00 N ATOM 1037 CA PRO A 71 -12.993 -5.120 0.163 1.00 0.00 C ATOM 1038 C PRO A 71 -13.414 -4.321 1.398 1.00 0.00 C ATOM 1039 O PRO A 71 -12.768 -3.338 1.756 1.00 0.00 O ATOM 1040 CB PRO A 71 -13.953 -4.958 -1.005 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.792 -6.225 -1.033 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.115 -7.253 -0.141 1.00 0.00 C ATOM 0 HA PRO A 71 -12.007 -4.733 -0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.581 -4.076 -0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.411 -4.828 -1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.803 -6.021 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.879 -6.602 -2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.794 -7.617 0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.788 -8.121 -0.714 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.495 -4.774 2.016 1.00 0.00 N ATOM 1051 CA ARG A 72 -15.010 -4.114 3.204 1.00 0.00 C ATOM 1052 C ARG A 72 -13.857 -3.665 4.103 1.00 0.00 C ATOM 1053 O ARG A 72 -13.892 -2.571 4.664 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.932 -5.045 3.994 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.271 -5.229 3.277 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.354 -5.700 4.250 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.576 -6.076 3.504 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.382 -5.198 2.892 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.102 -3.888 2.934 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.469 -5.630 2.238 1.00 0.00 N ATOM 0 H ARG A 72 -15.028 -5.590 1.716 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.582 -3.244 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.450 -6.014 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.102 -4.635 4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.574 -4.288 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.160 -5.955 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.992 -6.552 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.583 -4.908 4.964 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.820 -7.065 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.275 -3.559 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.716 -3.220 2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.682 -6.627 2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.083 -4.962 1.772 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.861 -4.533 4.213 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.700 -4.239 5.035 1.00 0.00 C ATOM 1076 C ASP A 73 -10.706 -3.404 4.226 1.00 0.00 C ATOM 1077 O ASP A 73 -10.197 -2.395 4.712 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.993 -5.525 5.469 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.873 -6.523 6.225 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -13.048 -6.173 6.467 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -11.350 -7.613 6.543 1.00 0.00 O ATOM 0 H ASP A 73 -12.835 -5.440 3.746 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.040 -3.698 5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.590 -6.017 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.145 -5.260 6.100 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.460 -3.854 3.004 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.536 -3.161 2.123 1.00 0.00 C ATOM 1088 C ALA A 74 -9.816 -1.658 2.178 1.00 0.00 C ATOM 1089 O ALA A 74 -8.900 -0.847 2.053 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.660 -3.725 0.707 1.00 0.00 C ATOM 0 H ALA A 74 -10.885 -4.690 2.604 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.507 -3.317 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.967 -3.205 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.423 -4.789 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.679 -3.584 0.347 1.00 0.00 H new ATOM 1096 N GLU A 75 -11.087 -1.331 2.366 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.499 0.060 2.439 1.00 0.00 C ATOM 1098 C GLU A 75 -11.146 0.647 3.807 1.00 0.00 C ATOM 1099 O GLU A 75 -10.246 1.478 3.916 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.994 0.204 2.149 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.355 -0.422 0.801 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.412 0.412 0.074 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -14.031 1.482 -0.447 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -15.577 -0.041 0.055 1.00 0.00 O ATOM 0 H GLU A 75 -11.845 -2.006 2.470 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.959 0.620 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.569 -0.274 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.268 1.259 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.461 -0.502 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.728 -1.435 0.955 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.874 0.192 4.816 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.649 0.661 6.173 1.00 0.00 C ATOM 1113 C ASP A 76 -10.144 0.767 6.428 1.00 0.00 C ATOM 1114 O ASP A 76 -9.695 1.650 7.157 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.236 -0.312 7.197 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.614 0.072 7.739 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.313 0.826 7.028 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -13.937 -0.397 8.852 1.00 0.00 O ATOM 0 H ASP A 76 -12.620 -0.497 4.721 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.134 1.631 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.304 -1.299 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.543 -0.396 8.035 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.407 -0.147 5.814 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.962 -0.168 5.966 1.00 0.00 C ATOM 1125 C ALA A 77 -7.365 1.070 5.293 1.00 0.00 C ATOM 1126 O ALA A 77 -6.618 1.821 5.918 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.406 -1.471 5.389 1.00 0.00 C ATOM 0 H ALA A 77 -9.783 -0.878 5.210 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.687 -0.136 7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.322 -1.486 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.839 -2.318 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.660 -1.538 4.331 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.716 1.244 4.028 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.224 2.377 3.263 1.00 0.00 C ATOM 1135 C VAL A 78 -7.782 3.670 3.860 1.00 0.00 C ATOM 1136 O VAL A 78 -7.153 4.723 3.767 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.574 2.202 1.784 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.929 2.836 1.462 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.473 2.775 0.889 1.00 0.00 C ATOM 0 H VAL A 78 -8.336 0.619 3.513 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.137 2.434 3.321 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.648 1.134 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.153 2.697 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.705 2.361 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.895 3.902 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.746 2.638 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.352 3.838 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.535 2.258 1.090 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.958 3.549 4.460 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.608 4.695 5.072 1.00 0.00 C ATOM 1151 C TYR A 79 -9.120 4.900 6.508 1.00 0.00 C ATOM 1152 O TYR A 79 -9.355 5.950 7.103 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.103 4.369 5.095 1.00 0.00 C ATOM 1154 CG TYR A 79 -11.904 5.045 3.981 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.945 4.482 2.722 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -12.585 6.218 4.235 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.700 5.119 1.673 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -13.340 6.855 3.186 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.359 6.273 1.957 1.00 0.00 C ATOM 1160 OH TYR A 79 -14.072 6.874 0.966 1.00 0.00 O ATOM 0 H TYR A 79 -9.477 2.674 4.535 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.387 5.605 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.230 3.289 5.016 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.515 4.669 6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.411 3.564 2.523 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.552 6.659 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.741 4.689 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.878 7.773 3.371 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.491 7.689 1.313 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.451 3.879 7.023 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.928 3.934 8.377 1.00 0.00 C ATOM 1172 C GLY A 80 -6.433 4.257 8.376 1.00 0.00 C ATOM 1173 O GLY A 80 -6.041 5.403 8.589 1.00 0.00 O ATOM 0 H GLY A 80 -8.259 3.009 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.466 4.690 8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.097 2.979 8.875 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.637 3.225 8.133 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.193 3.385 8.100 1.00 0.00 C ATOM 1179 C ARG A 81 -3.821 4.716 7.443 1.00 0.00 C ATOM 1180 O ARG A 81 -2.818 5.330 7.802 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.530 2.241 7.331 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.532 0.952 8.156 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.522 1.033 9.302 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.698 -0.120 10.213 1.00 0.00 N ATOM 1185 CZ ARG A 81 -2.192 -0.182 11.453 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.477 0.843 11.936 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -2.402 -1.268 12.209 1.00 0.00 N ATOM 0 H ARG A 81 -5.965 2.275 7.957 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.834 3.372 9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.057 2.076 6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.505 2.514 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.530 0.775 8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.292 0.105 7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.507 1.041 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.656 1.965 9.851 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.238 -0.917 9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.318 1.670 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.092 0.796 12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.947 -2.048 11.841 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.017 -1.315 13.152 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.650 5.121 6.492 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.420 6.368 5.781 1.00 0.00 C ATOM 1203 C ASP A 82 -4.047 7.461 6.785 1.00 0.00 C ATOM 1204 O ASP A 82 -4.899 7.942 7.529 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.679 6.818 5.038 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.808 8.330 4.841 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.793 8.938 4.436 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.918 8.844 5.099 1.00 0.00 O ATOM 0 H ASP A 82 -5.481 4.609 6.197 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.617 6.204 5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.697 6.337 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.552 6.462 5.585 1.00 0.00 H new ATOM 1213 N GLY A 83 -2.771 7.820 6.772 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.275 8.847 7.672 1.00 0.00 C ATOM 1215 C GLY A 83 -1.853 8.244 9.013 1.00 0.00 C ATOM 1216 O GLY A 83 -2.098 8.831 10.066 1.00 0.00 O ATOM 0 H GLY A 83 -2.067 7.418 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.427 9.357 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.048 9.598 7.834 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.227 7.080 8.931 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.769 6.391 10.126 1.00 0.00 C ATOM 1222 C TYR A 84 0.640 6.843 10.514 1.00 0.00 C ATOM 1223 O TYR A 84 1.384 7.355 9.678 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.734 4.904 9.768 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.123 4.016 10.854 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.618 4.062 12.142 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.922 3.169 10.546 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.043 3.227 13.164 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.497 2.334 11.569 1.00 0.00 C ATOM 1230 CZ TYR A 84 0.986 2.404 12.827 1.00 0.00 C ATOM 1231 OH TYR A 84 1.528 1.615 13.793 1.00 0.00 O ATOM 0 H TYR A 84 -1.026 6.596 8.056 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.428 6.603 10.968 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.750 4.566 9.566 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.166 4.776 8.846 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.436 4.724 12.383 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.309 3.132 9.538 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.420 3.253 14.176 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.316 1.667 11.342 1.00 0.00 H new ATOM 0 HH TYR A 84 2.253 1.079 13.409 1.00 0.00 H new ATOM 1241 N ASP A 85 0.965 6.637 11.782 1.00 0.00 N ATOM 1242 CA ASP A 85 2.272 7.018 12.291 1.00 0.00 C ATOM 1243 C ASP A 85 3.116 5.760 12.507 1.00 0.00 C ATOM 1244 O ASP A 85 2.998 5.099 13.539 1.00 0.00 O ATOM 1245 CB ASP A 85 2.151 7.743 13.632 1.00 0.00 C ATOM 1246 CG ASP A 85 0.856 7.471 14.400 1.00 0.00 C ATOM 1247 OD1 ASP A 85 0.764 6.371 14.987 1.00 0.00 O ATOM 1248 OD2 ASP A 85 -0.013 8.369 14.383 1.00 0.00 O ATOM 0 H ASP A 85 0.346 6.211 12.472 1.00 0.00 H new ATOM 0 HA ASP A 85 2.737 7.683 11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.995 7.457 14.260 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.233 8.816 13.457 1.00 0.00 H new ATOM 1253 N TYR A 86 3.947 5.466 11.519 1.00 0.00 N ATOM 1254 CA TYR A 86 4.811 4.299 11.589 1.00 0.00 C ATOM 1255 C TYR A 86 6.234 4.694 11.986 1.00 0.00 C ATOM 1256 O TYR A 86 7.008 5.162 11.153 1.00 0.00 O ATOM 1257 CB TYR A 86 4.834 3.707 10.178 1.00 0.00 C ATOM 1258 CG TYR A 86 5.586 2.379 10.073 1.00 0.00 C ATOM 1259 CD1 TYR A 86 6.966 2.369 10.042 1.00 0.00 C ATOM 1260 CD2 TYR A 86 4.886 1.192 10.010 1.00 0.00 C ATOM 1261 CE1 TYR A 86 7.675 1.119 9.943 1.00 0.00 C ATOM 1262 CE2 TYR A 86 5.595 -0.058 9.911 1.00 0.00 C ATOM 1263 CZ TYR A 86 6.954 -0.032 9.883 1.00 0.00 C ATOM 1264 OH TYR A 86 7.623 -1.213 9.789 1.00 0.00 O ATOM 0 H TYR A 86 4.041 6.015 10.665 1.00 0.00 H new ATOM 0 HA TYR A 86 4.443 3.593 12.333 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.808 3.560 9.840 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.293 4.427 9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.514 3.298 10.092 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.806 1.200 10.035 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.754 1.097 9.917 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.059 -0.994 9.860 1.00 0.00 H new ATOM 0 HH TYR A 86 7.806 -1.558 10.688 1.00 0.00 H new ATOM 1274 N ASP A 87 6.537 4.489 13.260 1.00 0.00 N ATOM 1275 CA ASP A 87 7.854 4.818 13.779 1.00 0.00 C ATOM 1276 C ASP A 87 8.063 6.331 13.706 1.00 0.00 C ATOM 1277 O ASP A 87 9.192 6.811 13.798 1.00 0.00 O ATOM 1278 CB ASP A 87 8.954 4.148 12.952 1.00 0.00 C ATOM 1279 CG ASP A 87 10.216 3.779 13.734 1.00 0.00 C ATOM 1280 OD1 ASP A 87 10.785 4.699 14.360 1.00 0.00 O ATOM 1281 OD2 ASP A 87 10.584 2.585 13.687 1.00 0.00 O ATOM 0 H ASP A 87 5.893 4.099 13.948 1.00 0.00 H new ATOM 0 HA ASP A 87 7.909 4.464 14.808 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.548 3.244 12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.232 4.815 12.136 1.00 0.00 H new ATOM 1286 N GLY A 88 6.957 7.042 13.542 1.00 0.00 N ATOM 1287 CA GLY A 88 7.005 8.492 13.456 1.00 0.00 C ATOM 1288 C GLY A 88 6.719 8.966 12.030 1.00 0.00 C ATOM 1289 O GLY A 88 6.322 10.112 11.821 1.00 0.00 O ATOM 0 H GLY A 88 6.022 6.641 13.466 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.275 8.925 14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.987 8.846 13.771 1.00 0.00 H new ATOM 1293 N TYR A 89 6.932 8.062 11.086 1.00 0.00 N ATOM 1294 CA TYR A 89 6.703 8.374 9.685 1.00 0.00 C ATOM 1295 C TYR A 89 5.206 8.394 9.366 1.00 0.00 C ATOM 1296 O TYR A 89 4.470 7.496 9.770 1.00 0.00 O ATOM 1297 CB TYR A 89 7.367 7.249 8.889 1.00 0.00 C ATOM 1298 CG TYR A 89 8.896 7.269 8.940 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.599 8.188 8.188 1.00 0.00 C ATOM 1300 CD2 TYR A 89 9.571 6.368 9.737 1.00 0.00 C ATOM 1301 CE1 TYR A 89 11.038 8.207 8.236 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.010 6.387 9.786 1.00 0.00 C ATOM 1303 CZ TYR A 89 11.673 7.306 9.032 1.00 0.00 C ATOM 1304 OH TYR A 89 13.032 7.323 9.078 1.00 0.00 O ATOM 0 H TYR A 89 7.261 7.113 11.263 1.00 0.00 H new ATOM 0 HA TYR A 89 7.108 9.356 9.439 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.014 6.291 9.270 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.047 7.316 7.849 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.070 8.893 7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.020 5.648 10.324 1.00 0.00 H new ATOM 0 HE1 TYR A 89 11.600 8.921 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.551 5.688 10.407 1.00 0.00 H new ATOM 0 HH TYR A 89 13.347 6.625 9.689 1.00 0.00 H new ATOM 1314 N ARG A 90 4.802 9.429 8.644 1.00 0.00 N ATOM 1315 CA ARG A 90 3.407 9.578 8.267 1.00 0.00 C ATOM 1316 C ARG A 90 3.134 8.852 6.947 1.00 0.00 C ATOM 1317 O ARG A 90 3.382 9.397 5.873 1.00 0.00 O ATOM 1318 CB ARG A 90 3.031 11.053 8.117 1.00 0.00 C ATOM 1319 CG ARG A 90 2.246 11.546 9.334 1.00 0.00 C ATOM 1320 CD ARG A 90 1.008 12.336 8.905 1.00 0.00 C ATOM 1321 NE ARG A 90 0.792 13.476 9.824 1.00 0.00 N ATOM 1322 CZ ARG A 90 -0.287 14.270 9.794 1.00 0.00 C ATOM 1323 NH1 ARG A 90 -1.254 14.054 8.892 1.00 0.00 N ATOM 1324 NH2 ARG A 90 -0.398 15.281 10.666 1.00 0.00 N ATOM 0 H ARG A 90 5.416 10.172 8.310 1.00 0.00 H new ATOM 0 HA ARG A 90 2.801 9.140 9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.934 11.651 7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.434 11.190 7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.945 10.696 9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.886 12.174 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.134 12.699 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.133 11.686 8.907 1.00 0.00 H new ATOM 0 HE ARG A 90 1.509 13.669 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.169 13.285 8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.075 14.659 8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.339 15.446 11.352 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.219 15.886 10.644 1.00 0.00 H new ATOM 1338 N LEU A 91 2.626 7.635 7.072 1.00 0.00 N ATOM 1339 CA LEU A 91 2.317 6.830 5.903 1.00 0.00 C ATOM 1340 C LEU A 91 1.176 7.487 5.124 1.00 0.00 C ATOM 1341 O LEU A 91 0.443 8.312 5.667 1.00 0.00 O ATOM 1342 CB LEU A 91 2.030 5.383 6.310 1.00 0.00 C ATOM 1343 CG LEU A 91 3.153 4.661 7.057 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.825 3.178 7.241 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.498 4.868 6.358 1.00 0.00 C ATOM 0 H LEU A 91 2.421 7.187 7.965 1.00 0.00 H new ATOM 0 HA LEU A 91 3.176 6.785 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.138 5.373 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.794 4.814 5.411 1.00 0.00 H new ATOM 0 HG LEU A 91 3.237 5.098 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.640 2.689 7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.904 3.078 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.698 2.710 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.279 4.344 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.445 4.475 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.730 5.932 6.323 1.00 0.00 H new ATOM 1357 N ARG A 92 1.061 7.096 3.863 1.00 0.00 N ATOM 1358 CA ARG A 92 0.021 7.637 3.004 1.00 0.00 C ATOM 1359 C ARG A 92 -0.672 6.510 2.236 1.00 0.00 C ATOM 1360 O ARG A 92 -0.168 6.049 1.213 1.00 0.00 O ATOM 1361 CB ARG A 92 0.599 8.643 2.007 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.427 9.724 1.661 1.00 0.00 C ATOM 1363 CD ARG A 92 0.219 11.111 1.649 1.00 0.00 C ATOM 1364 NE ARG A 92 -0.392 11.963 2.693 1.00 0.00 N ATOM 1365 CZ ARG A 92 0.090 13.156 3.067 1.00 0.00 C ATOM 1366 NH1 ARG A 92 1.194 13.645 2.485 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -0.531 13.860 4.023 1.00 0.00 N ATOM 0 H ARG A 92 1.671 6.411 3.416 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.703 8.147 3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.492 9.105 2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.907 8.125 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.865 9.515 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.240 9.704 2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 92 1.292 11.023 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.090 11.573 0.670 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.233 11.621 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.667 13.109 1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.561 14.553 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.371 13.488 4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.164 14.768 4.308 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.818 6.098 2.759 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.586 5.034 2.136 1.00 0.00 C ATOM 1383 C VAL A 93 -3.715 5.646 1.304 1.00 0.00 C ATOM 1384 O VAL A 93 -4.452 6.504 1.787 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.090 4.059 3.202 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.429 2.700 2.585 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -2.071 3.909 4.333 1.00 0.00 C ATOM 0 H VAL A 93 -2.233 6.482 3.608 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.958 4.457 1.458 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.005 4.471 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.785 2.025 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.206 2.826 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.538 2.279 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.454 3.211 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.132 3.530 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.900 4.879 4.800 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.814 5.180 0.067 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.841 5.671 -0.837 1.00 0.00 C ATOM 1399 C GLU A 94 -5.067 4.673 -1.974 1.00 0.00 C ATOM 1400 O GLU A 94 -4.162 3.923 -2.336 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.476 7.052 -1.383 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.170 6.999 -2.179 1.00 0.00 C ATOM 1403 CD GLU A 94 -3.326 7.690 -3.536 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -3.192 8.932 -3.559 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -3.577 6.959 -4.519 1.00 0.00 O ATOM 0 H GLU A 94 -3.201 4.468 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.772 5.773 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.280 7.419 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.375 7.758 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.374 7.481 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.872 5.961 -2.328 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.280 4.697 -2.507 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.636 3.804 -3.597 1.00 0.00 C ATOM 1414 C PHE A 95 -5.969 4.239 -4.903 1.00 0.00 C ATOM 1415 O PHE A 95 -5.714 5.424 -5.109 1.00 0.00 O ATOM 1416 CB PHE A 95 -8.155 3.884 -3.762 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.932 2.930 -2.853 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.575 1.619 -2.780 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.980 3.391 -2.119 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.296 0.733 -1.936 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.700 2.505 -1.275 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.343 1.195 -1.202 1.00 0.00 C ATOM 0 H PHE A 95 -7.028 5.321 -2.204 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.304 2.791 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.479 4.905 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.409 3.668 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.744 1.252 -3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.265 4.431 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.013 -0.308 -1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.531 2.872 -0.691 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.891 0.521 -0.561 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.699 3.230 -5.774 1.00 0.00 N ATOM 1433 CA PRO A 96 -5.066 3.496 -7.054 1.00 0.00 C ATOM 1434 C PRO A 96 -6.058 4.124 -8.036 1.00 0.00 C ATOM 1435 O PRO A 96 -6.616 3.433 -8.887 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.541 2.148 -7.521 1.00 0.00 C ATOM 1437 CG PRO A 96 -5.299 1.104 -6.718 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.987 1.814 -5.563 1.00 0.00 C ATOM 0 HA PRO A 96 -4.255 4.220 -6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.706 2.014 -8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.467 2.067 -7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.032 0.598 -7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.617 0.340 -6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.060 1.624 -5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.603 1.471 -4.602 1.00 0.00 H new