USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 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 28 THR OG1 : rot 37:sc= 0.201 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 110:sc= 0.213 USER MOD Single : A 40 THR OG1 : rot -59:sc= 0.0139 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -2.67! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0926 K(o=-0.093,f=-1.5!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 57 ASN : amide:sc= -1.85 X(o=-1.9,f=-1.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -56:sc= 1.36 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.877 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -116:sc= 0.751 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 93 TYR OH : rot -75:sc= 0.18! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.739 2.866 -0.937 1.00 0.00 N ATOM 325 CA THR A 28 7.020 2.786 -2.202 1.00 0.00 C ATOM 326 C THR A 28 5.522 2.977 -1.996 1.00 0.00 C ATOM 327 O THR A 28 4.930 2.388 -1.092 1.00 0.00 O ATOM 328 CB THR A 28 7.262 1.435 -2.901 1.00 0.00 C ATOM 329 OG1 THR A 28 8.664 1.150 -2.944 1.00 0.00 O ATOM 330 CG2 THR A 28 6.698 1.448 -4.314 1.00 0.00 C ATOM 0 HA THR A 28 7.402 3.588 -2.834 1.00 0.00 H new ATOM 0 HB THR A 28 6.752 0.659 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.088 1.468 -2.119 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.881 0.483 -4.788 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.625 1.636 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.184 2.234 -4.892 1.00 0.00 H new ATOM 338 N ILE A 29 4.914 3.804 -2.840 1.00 0.00 N ATOM 339 CA ILE A 29 3.484 4.071 -2.751 1.00 0.00 C ATOM 340 C ILE A 29 2.671 2.897 -3.284 1.00 0.00 C ATOM 341 O ILE A 29 2.998 2.321 -4.322 1.00 0.00 O ATOM 342 CB ILE A 29 3.099 5.343 -3.530 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.491 6.591 -2.736 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.608 5.348 -3.833 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.827 6.678 -1.380 1.00 0.00 C ATOM 0 H ILE A 29 5.390 4.301 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 29 3.256 4.218 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 29 3.642 5.351 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.573 6.602 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.232 7.477 -3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.352 6.253 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.356 4.474 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.047 5.320 -2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.151 7.587 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.744 6.699 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.106 5.811 -0.782 1.00 0.00 H new ATOM 357 N PHE A 30 1.608 2.546 -2.568 1.00 0.00 N ATOM 358 CA PHE A 30 0.747 1.440 -2.969 1.00 0.00 C ATOM 359 C PHE A 30 -0.724 1.795 -2.768 1.00 0.00 C ATOM 360 O PHE A 30 -1.085 2.467 -1.802 1.00 0.00 O ATOM 361 CB PHE A 30 1.092 0.181 -2.171 1.00 0.00 C ATOM 362 CG PHE A 30 2.192 -0.636 -2.788 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.501 -0.182 -2.773 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.917 -1.857 -3.381 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.515 -0.931 -3.340 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.927 -2.611 -3.949 1.00 0.00 C ATOM 367 CZ PHE A 30 4.227 -2.148 -3.927 1.00 0.00 C ATOM 0 H PHE A 30 1.322 3.012 -1.707 1.00 0.00 H new ATOM 0 HA PHE A 30 0.915 1.248 -4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.386 0.469 -1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.199 -0.437 -2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.732 0.768 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.902 -2.224 -3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.531 -0.565 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.699 -3.561 -4.409 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.018 -2.736 -4.368 1.00 0.00 H new ATOM 377 N VAL A 31 -1.568 1.339 -3.688 1.00 0.00 N ATOM 378 CA VAL A 31 -2.999 1.607 -3.613 1.00 0.00 C ATOM 379 C VAL A 31 -3.795 0.313 -3.494 1.00 0.00 C ATOM 380 O VAL A 31 -3.408 -0.719 -4.042 1.00 0.00 O ATOM 381 CB VAL A 31 -3.489 2.387 -4.848 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.982 2.177 -5.054 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.165 3.866 -4.707 1.00 0.00 C ATOM 0 H VAL A 31 -1.285 0.782 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.161 2.213 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.968 2.007 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.310 2.735 -5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.183 1.116 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.523 2.529 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.518 4.401 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.657 4.263 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.087 3.995 -4.612 1.00 0.00 H new ATOM 393 N ALA A 32 -4.910 0.375 -2.773 1.00 0.00 N ATOM 394 CA ALA A 32 -5.763 -0.792 -2.584 1.00 0.00 C ATOM 395 C ALA A 32 -6.848 -0.859 -3.654 1.00 0.00 C ATOM 396 O ALA A 32 -7.731 -0.002 -3.712 1.00 0.00 O ATOM 397 CB ALA A 32 -6.388 -0.769 -1.197 1.00 0.00 C ATOM 0 H ALA A 32 -5.243 1.221 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.143 -1.683 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.022 -1.646 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.601 -0.778 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.989 0.133 -1.084 1.00 0.00 H new ATOM 403 N LEU A 33 -6.775 -1.881 -4.500 1.00 0.00 N ATOM 404 CA LEU A 33 -7.751 -2.059 -5.569 1.00 0.00 C ATOM 405 C LEU A 33 -9.028 -2.703 -5.039 1.00 0.00 C ATOM 406 O LEU A 33 -10.127 -2.399 -5.504 1.00 0.00 O ATOM 407 CB LEU A 33 -7.159 -2.919 -6.687 1.00 0.00 C ATOM 408 CG LEU A 33 -5.683 -2.681 -7.009 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.184 -3.705 -8.015 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.473 -1.268 -7.533 1.00 0.00 C ATOM 0 H LEU A 33 -6.051 -2.598 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.001 -1.076 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.287 -3.967 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.740 -2.750 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.107 -2.796 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.132 -3.519 -8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.298 -4.707 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.764 -3.624 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.417 -1.116 -7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.060 -1.125 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.791 -0.549 -6.778 1.00 0.00 H new ATOM 422 N TYR A 34 -8.876 -3.590 -4.063 1.00 0.00 N ATOM 423 CA TYR A 34 -10.017 -4.276 -3.469 1.00 0.00 C ATOM 424 C TYR A 34 -10.162 -3.917 -1.993 1.00 0.00 C ATOM 425 O TYR A 34 -9.172 -3.668 -1.304 1.00 0.00 O ATOM 426 CB TYR A 34 -9.866 -5.790 -3.625 1.00 0.00 C ATOM 427 CG TYR A 34 -9.118 -6.199 -4.874 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.753 -6.226 -6.109 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.778 -6.559 -4.818 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.074 -6.599 -7.253 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.091 -6.932 -5.957 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.743 -6.951 -7.172 1.00 0.00 C ATOM 433 OH TYR A 34 -7.063 -7.323 -8.308 1.00 0.00 O ATOM 0 H TYR A 34 -7.973 -3.851 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.916 -3.951 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.345 -6.186 -2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.856 -6.246 -3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.795 -5.951 -6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.264 -6.547 -3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.583 -6.615 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.048 -7.207 -5.896 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.135 -7.539 -8.078 1.00 0.00 H new ATOM 443 N ASP A 35 -11.401 -3.893 -1.515 1.00 0.00 N ATOM 444 CA ASP A 35 -11.677 -3.567 -0.121 1.00 0.00 C ATOM 445 C ASP A 35 -11.372 -4.755 0.786 1.00 0.00 C ATOM 446 O ASP A 35 -11.898 -5.851 0.587 1.00 0.00 O ATOM 447 CB ASP A 35 -13.137 -3.143 0.046 1.00 0.00 C ATOM 448 CG ASP A 35 -14.098 -4.090 -0.644 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.335 -3.913 -1.858 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.614 -5.007 0.029 1.00 0.00 O ATOM 0 H ASP A 35 -12.231 -4.096 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.031 -2.738 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.379 -3.095 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.269 -2.139 -0.357 1.00 0.00 H new ATOM 455 N TYR A 36 -10.520 -4.531 1.780 1.00 0.00 N ATOM 456 CA TYR A 36 -10.143 -5.584 2.715 1.00 0.00 C ATOM 457 C TYR A 36 -10.365 -5.138 4.157 1.00 0.00 C ATOM 458 O TYR A 36 -10.522 -3.949 4.432 1.00 0.00 O ATOM 459 CB TYR A 36 -8.679 -5.976 2.511 1.00 0.00 C ATOM 460 CG TYR A 36 -8.202 -7.053 3.459 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.459 -8.395 3.204 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.496 -6.729 4.611 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.026 -9.382 4.068 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.058 -7.710 5.480 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.325 -9.035 5.204 1.00 0.00 C ATOM 466 OH TYR A 36 -6.892 -10.014 6.067 1.00 0.00 O ATOM 0 H TYR A 36 -10.077 -3.630 1.959 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.775 -6.450 2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.543 -6.320 1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.054 -5.092 2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.007 -8.671 2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.286 -5.693 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.235 -10.420 3.855 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.510 -7.441 6.371 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.916 -10.085 6.018 1.00 0.00 H new ATOM 476 N GLU A 37 -10.377 -6.101 5.073 1.00 0.00 N ATOM 477 CA GLU A 37 -10.580 -5.808 6.486 1.00 0.00 C ATOM 478 C GLU A 37 -9.590 -6.584 7.351 1.00 0.00 C ATOM 479 O GLU A 37 -9.543 -7.813 7.309 1.00 0.00 O ATOM 480 CB GLU A 37 -12.013 -6.150 6.901 1.00 0.00 C ATOM 481 CG GLU A 37 -12.281 -5.955 8.383 1.00 0.00 C ATOM 482 CD GLU A 37 -13.739 -6.160 8.744 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.604 -5.536 8.094 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.016 -6.943 9.676 1.00 0.00 O ATOM 0 H GLU A 37 -10.249 -7.091 4.861 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.410 -4.742 6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.705 -5.530 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.221 -7.187 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.668 -6.652 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.976 -4.950 8.674 1.00 0.00 H new ATOM 491 N ALA A 38 -8.800 -5.856 8.133 1.00 0.00 N ATOM 492 CA ALA A 38 -7.812 -6.474 9.009 1.00 0.00 C ATOM 493 C ALA A 38 -8.451 -7.544 9.888 1.00 0.00 C ATOM 494 O ALA A 38 -9.169 -7.232 10.838 1.00 0.00 O ATOM 495 CB ALA A 38 -7.133 -5.418 9.868 1.00 0.00 C ATOM 0 H ALA A 38 -8.825 -4.837 8.178 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.060 -6.956 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.398 -5.894 10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.634 -4.692 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.880 -4.910 10.478 1.00 0.00 H new ATOM 501 N ARG A 39 -8.186 -8.805 9.564 1.00 0.00 N ATOM 502 CA ARG A 39 -8.737 -9.921 10.324 1.00 0.00 C ATOM 503 C ARG A 39 -8.281 -9.866 11.779 1.00 0.00 C ATOM 504 O ARG A 39 -9.083 -10.030 12.699 1.00 0.00 O ATOM 505 CB ARG A 39 -8.314 -11.251 9.696 1.00 0.00 C ATOM 506 CG ARG A 39 -9.002 -11.546 8.373 1.00 0.00 C ATOM 507 CD ARG A 39 -8.185 -12.506 7.523 1.00 0.00 C ATOM 508 NE ARG A 39 -8.502 -13.902 7.815 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.687 -14.452 7.578 1.00 0.00 C ATOM 510 NH1 ARG A 39 -10.663 -13.728 7.046 1.00 0.00 N ATOM 511 NH2 ARG A 39 -9.898 -15.728 7.872 1.00 0.00 N ATOM 0 H ARG A 39 -7.593 -9.080 8.781 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.824 -9.844 10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.235 -11.243 9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.529 -12.058 10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.987 -11.973 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.157 -10.616 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.372 -12.305 6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.123 -12.331 7.698 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.773 -14.486 8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.504 -12.747 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.572 -14.153 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.150 -16.288 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.809 -16.150 7.690 1.00 0.00 H new ATOM 525 N THR A 40 -6.988 -9.634 11.981 1.00 0.00 N ATOM 526 CA THR A 40 -6.425 -9.558 13.323 1.00 0.00 C ATOM 527 C THR A 40 -5.628 -8.273 13.513 1.00 0.00 C ATOM 528 O THR A 40 -5.131 -7.689 12.550 1.00 0.00 O ATOM 529 CB THR A 40 -5.512 -10.763 13.618 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.303 -10.659 12.857 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.216 -12.070 13.284 1.00 0.00 C ATOM 0 H THR A 40 -6.310 -9.495 11.231 1.00 0.00 H new ATOM 0 HA THR A 40 -7.264 -9.568 14.019 1.00 0.00 H new ATOM 0 HB THR A 40 -5.273 -10.758 14.682 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.519 -10.629 11.902 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.552 -12.907 13.500 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.121 -12.160 13.885 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.480 -12.081 12.227 1.00 0.00 H new ATOM 539 N THR A 41 -5.509 -7.835 14.763 1.00 0.00 N ATOM 540 CA THR A 41 -4.773 -6.618 15.080 1.00 0.00 C ATOM 541 C THR A 41 -3.454 -6.559 14.318 1.00 0.00 C ATOM 542 O THR A 41 -2.928 -5.479 14.054 1.00 0.00 O ATOM 543 CB THR A 41 -4.486 -6.512 16.590 1.00 0.00 C ATOM 544 OG1 THR A 41 -5.688 -6.738 17.334 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.917 -5.145 16.938 1.00 0.00 C ATOM 0 H THR A 41 -5.913 -8.306 15.572 1.00 0.00 H new ATOM 0 HA THR A 41 -5.402 -5.781 14.778 1.00 0.00 H new ATOM 0 HB THR A 41 -3.749 -7.272 16.852 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.497 -6.671 18.293 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.722 -5.094 18.009 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.986 -4.989 16.392 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.634 -4.372 16.662 1.00 0.00 H new ATOM 553 N GLU A 42 -2.925 -7.728 13.968 1.00 0.00 N ATOM 554 CA GLU A 42 -1.667 -7.807 13.235 1.00 0.00 C ATOM 555 C GLU A 42 -1.836 -7.302 11.806 1.00 0.00 C ATOM 556 O GLU A 42 -0.959 -6.628 11.266 1.00 0.00 O ATOM 557 CB GLU A 42 -1.150 -9.247 13.221 1.00 0.00 C ATOM 558 CG GLU A 42 -1.163 -9.913 14.587 1.00 0.00 C ATOM 559 CD GLU A 42 -0.078 -10.961 14.736 1.00 0.00 C ATOM 560 OE1 GLU A 42 0.366 -11.507 13.705 1.00 0.00 O ATOM 561 OE2 GLU A 42 0.328 -11.234 15.886 1.00 0.00 O ATOM 0 H GLU A 42 -3.348 -8.632 14.180 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.941 -7.172 13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.758 -9.835 12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.132 -9.255 12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.037 -9.153 15.358 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.136 -10.377 14.752 1.00 0.00 H new ATOM 568 N ASP A 43 -2.970 -7.633 11.198 1.00 0.00 N ATOM 569 CA ASP A 43 -3.256 -7.213 9.831 1.00 0.00 C ATOM 570 C ASP A 43 -3.663 -5.744 9.788 1.00 0.00 C ATOM 571 O ASP A 43 -4.173 -5.201 10.769 1.00 0.00 O ATOM 572 CB ASP A 43 -4.363 -8.080 9.229 1.00 0.00 C ATOM 573 CG ASP A 43 -3.924 -9.515 9.017 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.928 -9.731 8.294 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.576 -10.423 9.574 1.00 0.00 O ATOM 0 H ASP A 43 -3.706 -8.191 11.630 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.348 -7.337 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.232 -8.062 9.887 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.676 -7.654 8.276 1.00 0.00 H new ATOM 580 N LEU A 44 -3.435 -5.105 8.646 1.00 0.00 N ATOM 581 CA LEU A 44 -3.777 -3.697 8.475 1.00 0.00 C ATOM 582 C LEU A 44 -5.115 -3.545 7.757 1.00 0.00 C ATOM 583 O LEU A 44 -5.353 -4.175 6.727 1.00 0.00 O ATOM 584 CB LEU A 44 -2.679 -2.977 7.690 1.00 0.00 C ATOM 585 CG LEU A 44 -2.485 -1.495 8.013 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.797 -0.783 6.859 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.821 -0.838 8.328 1.00 0.00 C ATOM 0 H LEU A 44 -3.015 -5.539 7.824 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.863 -3.246 9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.736 -3.493 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.899 -3.071 6.627 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.848 -1.415 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.667 0.271 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.822 -1.237 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.408 -0.872 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.663 0.216 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.483 -0.928 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.275 -1.331 9.188 1.00 0.00 H new ATOM 599 N SER A 45 -5.984 -2.704 8.308 1.00 0.00 N ATOM 600 CA SER A 45 -7.298 -2.470 7.722 1.00 0.00 C ATOM 601 C SER A 45 -7.227 -1.397 6.639 1.00 0.00 C ATOM 602 O SER A 45 -6.912 -0.239 6.916 1.00 0.00 O ATOM 603 CB SER A 45 -8.296 -2.052 8.804 1.00 0.00 C ATOM 604 OG SER A 45 -8.616 -3.143 9.651 1.00 0.00 O ATOM 0 H SER A 45 -5.802 -2.173 9.160 1.00 0.00 H new ATOM 0 HA SER A 45 -7.635 -3.401 7.266 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.876 -1.239 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.204 -1.671 8.338 1.00 0.00 H new ATOM 0 HG SER A 45 -9.254 -2.850 10.335 1.00 0.00 H new ATOM 610 N PHE A 46 -7.521 -1.792 5.405 1.00 0.00 N ATOM 611 CA PHE A 46 -7.490 -0.866 4.279 1.00 0.00 C ATOM 612 C PHE A 46 -8.734 -1.024 3.409 1.00 0.00 C ATOM 613 O PHE A 46 -9.391 -2.065 3.429 1.00 0.00 O ATOM 614 CB PHE A 46 -6.233 -1.095 3.437 1.00 0.00 C ATOM 615 CG PHE A 46 -6.069 -2.517 2.980 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.478 -3.460 3.805 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.506 -2.910 1.725 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.325 -4.768 3.386 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.357 -4.217 1.301 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.766 -5.147 2.134 1.00 0.00 C ATOM 0 H PHE A 46 -7.783 -2.747 5.159 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.473 0.149 4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.266 -0.443 2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.358 -0.805 4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.133 -3.170 4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.969 -2.186 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.861 -5.493 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.702 -4.511 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.649 -6.169 1.806 1.00 0.00 H new ATOM 630 N LYS A 47 -9.051 0.016 2.646 1.00 0.00 N ATOM 631 CA LYS A 47 -10.215 -0.005 1.768 1.00 0.00 C ATOM 632 C LYS A 47 -9.818 0.311 0.330 1.00 0.00 C ATOM 633 O LYS A 47 -8.752 0.875 0.079 1.00 0.00 O ATOM 634 CB LYS A 47 -11.263 0.999 2.252 1.00 0.00 C ATOM 635 CG LYS A 47 -11.869 0.645 3.599 1.00 0.00 C ATOM 636 CD LYS A 47 -12.653 -0.655 3.533 1.00 0.00 C ATOM 637 CE LYS A 47 -13.577 -0.810 4.731 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.164 -2.177 4.806 1.00 0.00 N ATOM 0 H LYS A 47 -8.518 0.885 2.618 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.642 -1.008 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.805 1.986 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.060 1.065 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.077 0.556 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.526 1.451 3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.239 -0.681 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.961 -1.497 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.023 -0.602 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.378 -0.074 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.788 -2.242 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.714 -2.366 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.401 -2.878 4.891 1.00 0.00 H new ATOM 652 N LYS A 48 -10.682 -0.053 -0.611 1.00 0.00 N ATOM 653 CA LYS A 48 -10.423 0.194 -2.025 1.00 0.00 C ATOM 654 C LYS A 48 -10.256 1.686 -2.294 1.00 0.00 C ATOM 655 O LYS A 48 -11.199 2.462 -2.152 1.00 0.00 O ATOM 656 CB LYS A 48 -11.564 -0.364 -2.878 1.00 0.00 C ATOM 657 CG LYS A 48 -11.489 0.047 -4.339 1.00 0.00 C ATOM 658 CD LYS A 48 -12.522 -0.685 -5.178 1.00 0.00 C ATOM 659 CE LYS A 48 -12.570 -0.144 -6.599 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.001 -1.184 -7.574 1.00 0.00 N ATOM 0 H LYS A 48 -11.568 -0.520 -0.420 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.496 -0.312 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.555 -1.452 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.514 -0.028 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.646 1.122 -4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.491 -0.161 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.287 -1.749 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.504 -0.586 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.256 0.702 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.585 0.230 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.021 -0.776 -8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.332 -1.980 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.951 -1.523 -7.322 1.00 0.00 H new ATOM 674 N GLY A 49 -9.048 2.080 -2.686 1.00 0.00 N ATOM 675 CA GLY A 49 -8.780 3.478 -2.971 1.00 0.00 C ATOM 676 C GLY A 49 -8.033 4.166 -1.845 1.00 0.00 C ATOM 677 O GLY A 49 -8.085 5.388 -1.714 1.00 0.00 O ATOM 0 H GLY A 49 -8.251 1.456 -2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.197 3.553 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.722 3.997 -3.148 1.00 0.00 H new ATOM 681 N GLU A 50 -7.337 3.378 -1.031 1.00 0.00 N ATOM 682 CA GLU A 50 -6.579 3.920 0.091 1.00 0.00 C ATOM 683 C GLU A 50 -5.086 3.661 -0.086 1.00 0.00 C ATOM 684 O GLU A 50 -4.676 2.563 -0.463 1.00 0.00 O ATOM 685 CB GLU A 50 -7.062 3.306 1.406 1.00 0.00 C ATOM 686 CG GLU A 50 -6.848 4.204 2.613 1.00 0.00 C ATOM 687 CD GLU A 50 -7.561 3.698 3.851 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.766 3.382 3.756 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.914 3.617 4.917 1.00 0.00 O ATOM 0 H GLU A 50 -7.282 2.364 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.743 4.997 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.124 3.074 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.542 2.362 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.780 4.281 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.201 5.209 2.380 1.00 0.00 H new ATOM 696 N ARG A 51 -4.278 4.680 0.189 1.00 0.00 N ATOM 697 CA ARG A 51 -2.830 4.563 0.059 1.00 0.00 C ATOM 698 C ARG A 51 -2.203 4.091 1.367 1.00 0.00 C ATOM 699 O ARG A 51 -2.801 4.216 2.436 1.00 0.00 O ATOM 700 CB ARG A 51 -2.224 5.906 -0.354 1.00 0.00 C ATOM 701 CG ARG A 51 -2.677 6.382 -1.725 1.00 0.00 C ATOM 702 CD ARG A 51 -1.612 7.235 -2.397 1.00 0.00 C ATOM 703 NE ARG A 51 -2.194 8.232 -3.292 1.00 0.00 N ATOM 704 CZ ARG A 51 -3.011 9.196 -2.885 1.00 0.00 C ATOM 705 NH1 ARG A 51 -3.342 9.294 -1.605 1.00 0.00 N ATOM 706 NH2 ARG A 51 -3.500 10.066 -3.760 1.00 0.00 N ATOM 0 H ARG A 51 -4.601 5.595 0.503 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.618 3.823 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.489 6.659 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.137 5.822 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.906 5.521 -2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.597 6.958 -1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.015 7.736 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.935 6.593 -2.961 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.960 8.185 -4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.969 8.627 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.970 10.036 -1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.248 9.994 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.128 10.806 -3.447 1.00 0.00 H new ATOM 720 N PHE A 52 -0.994 3.547 1.275 1.00 0.00 N ATOM 721 CA PHE A 52 -0.286 3.055 2.451 1.00 0.00 C ATOM 722 C PHE A 52 1.221 3.032 2.209 1.00 0.00 C ATOM 723 O PHE A 52 1.684 2.592 1.157 1.00 0.00 O ATOM 724 CB PHE A 52 -0.775 1.652 2.817 1.00 0.00 C ATOM 725 CG PHE A 52 -2.265 1.562 2.983 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.081 1.277 1.900 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.851 1.763 4.223 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.452 1.193 2.050 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.221 1.679 4.379 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.023 1.396 3.291 1.00 0.00 C ATOM 0 H PHE A 52 -0.484 3.436 0.399 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.494 3.733 3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.461 0.953 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.294 1.338 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.640 1.119 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.229 1.988 5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.076 0.969 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.665 1.835 5.351 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.095 1.334 3.410 1.00 0.00 H new ATOM 740 N GLN A 53 1.979 3.511 3.190 1.00 0.00 N ATOM 741 CA GLN A 53 3.433 3.548 3.083 1.00 0.00 C ATOM 742 C GLN A 53 4.038 2.190 3.425 1.00 0.00 C ATOM 743 O GLN A 53 3.984 1.747 4.573 1.00 0.00 O ATOM 744 CB GLN A 53 4.006 4.623 4.008 1.00 0.00 C ATOM 745 CG GLN A 53 4.001 6.016 3.398 1.00 0.00 C ATOM 746 CD GLN A 53 4.128 7.109 4.440 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.698 6.947 5.583 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.720 8.232 4.052 1.00 0.00 N ATOM 0 H GLN A 53 1.611 3.879 4.067 1.00 0.00 H new ATOM 0 HA GLN A 53 3.691 3.791 2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.431 4.639 4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.029 4.355 4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.823 6.100 2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.078 6.160 2.837 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.062 8.324 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.833 9.003 4.710 1.00 0.00 H new ATOM 757 N ILE A 54 4.613 1.535 2.423 1.00 0.00 N ATOM 758 CA ILE A 54 5.229 0.228 2.618 1.00 0.00 C ATOM 759 C ILE A 54 6.449 0.326 3.528 1.00 0.00 C ATOM 760 O ILE A 54 7.488 0.858 3.134 1.00 0.00 O ATOM 761 CB ILE A 54 5.651 -0.401 1.278 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.478 -0.396 0.295 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.160 -1.818 1.495 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.230 -1.055 0.841 1.00 0.00 C ATOM 0 H ILE A 54 4.665 1.888 1.467 1.00 0.00 H new ATOM 0 HA ILE A 54 4.478 -0.408 3.088 1.00 0.00 H new ATOM 0 HB ILE A 54 6.459 0.194 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.246 0.634 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.779 -0.907 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.455 -2.249 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.020 -1.797 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.370 -2.424 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.440 -1.015 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.445 -2.095 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.905 -0.530 1.739 1.00 0.00 H new ATOM 776 N ILE A 55 6.317 -0.191 4.744 1.00 0.00 N ATOM 777 CA ILE A 55 7.409 -0.165 5.708 1.00 0.00 C ATOM 778 C ILE A 55 8.363 -1.335 5.491 1.00 0.00 C ATOM 779 O ILE A 55 9.562 -1.143 5.295 1.00 0.00 O ATOM 780 CB ILE A 55 6.884 -0.207 7.156 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.898 0.937 7.397 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.041 -0.133 8.141 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.926 0.669 8.525 1.00 0.00 C ATOM 0 H ILE A 55 5.464 -0.633 5.085 1.00 0.00 H new ATOM 0 HA ILE A 55 7.945 0.771 5.551 1.00 0.00 H new ATOM 0 HB ILE A 55 6.361 -1.151 7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.456 1.847 7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.337 1.122 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.654 -0.164 9.160 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.710 -0.979 7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.589 0.797 7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.257 1.522 8.639 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.341 -0.222 8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.478 0.514 9.452 1.00 0.00 H new ATOM 795 N ASN A 56 7.820 -2.548 5.525 1.00 0.00 N ATOM 796 CA ASN A 56 8.623 -3.750 5.331 1.00 0.00 C ATOM 797 C ASN A 56 8.039 -4.620 4.222 1.00 0.00 C ATOM 798 O ASN A 56 6.857 -4.962 4.244 1.00 0.00 O ATOM 799 CB ASN A 56 8.704 -4.550 6.632 1.00 0.00 C ATOM 800 CG ASN A 56 9.990 -5.347 6.741 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.645 -5.630 5.738 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.357 -5.713 7.964 1.00 0.00 N ATOM 0 H ASN A 56 6.828 -2.724 5.685 1.00 0.00 H new ATOM 0 HA ASN A 56 9.627 -3.443 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.629 -3.869 7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.853 -5.228 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.213 -6.251 8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.783 -5.456 8.767 1.00 0.00 H new ATOM 809 N ASN A 57 8.876 -4.974 3.252 1.00 0.00 N ATOM 810 CA ASN A 57 8.443 -5.804 2.134 1.00 0.00 C ATOM 811 C ASN A 57 9.232 -7.110 2.089 1.00 0.00 C ATOM 812 O ASN A 57 9.623 -7.576 1.018 1.00 0.00 O ATOM 813 CB ASN A 57 8.612 -5.048 0.815 1.00 0.00 C ATOM 814 CG ASN A 57 10.062 -4.714 0.521 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.928 -5.589 0.540 1.00 0.00 O ATOM 816 ND2 ASN A 57 10.333 -3.443 0.248 1.00 0.00 N ATOM 0 H ASN A 57 9.858 -4.699 3.218 1.00 0.00 H new ATOM 0 HA ASN A 57 7.389 -6.041 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.208 -5.649 0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.030 -4.127 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.291 -3.158 0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.583 -2.751 0.243 1.00 0.00 H new ATOM 823 N THR A 58 9.461 -7.697 3.259 1.00 0.00 N ATOM 824 CA THR A 58 10.203 -8.948 3.354 1.00 0.00 C ATOM 825 C THR A 58 9.292 -10.147 3.114 1.00 0.00 C ATOM 826 O THR A 58 9.659 -11.084 2.406 1.00 0.00 O ATOM 827 CB THR A 58 10.878 -9.098 4.731 1.00 0.00 C ATOM 828 OG1 THR A 58 11.608 -10.329 4.787 1.00 0.00 O ATOM 829 CG2 THR A 58 9.845 -9.064 5.847 1.00 0.00 C ATOM 0 H THR A 58 9.143 -7.326 4.154 1.00 0.00 H new ATOM 0 HA THR A 58 10.972 -8.919 2.582 1.00 0.00 H new ATOM 0 HB THR A 58 11.564 -8.262 4.868 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.035 -10.416 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.345 -9.172 6.809 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.311 -8.114 5.820 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.137 -9.882 5.713 1.00 0.00 H new ATOM 837 N GLU A 59 8.103 -10.109 3.709 1.00 0.00 N ATOM 838 CA GLU A 59 7.141 -11.194 3.559 1.00 0.00 C ATOM 839 C GLU A 59 6.238 -10.957 2.352 1.00 0.00 C ATOM 840 O GLU A 59 5.300 -10.162 2.410 1.00 0.00 O ATOM 841 CB GLU A 59 6.292 -11.331 4.825 1.00 0.00 C ATOM 842 CG GLU A 59 7.099 -11.684 6.063 1.00 0.00 C ATOM 843 CD GLU A 59 6.278 -12.419 7.104 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.271 -11.852 7.575 1.00 0.00 O ATOM 845 OE2 GLU A 59 6.644 -13.563 7.448 1.00 0.00 O ATOM 0 H GLU A 59 7.784 -9.340 4.298 1.00 0.00 H new ATOM 0 HA GLU A 59 7.696 -12.118 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.763 -10.394 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.535 -12.099 4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.949 -12.302 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.502 -10.771 6.502 1.00 0.00 H new ATOM 852 N GLY A 60 6.529 -11.653 1.256 1.00 0.00 N ATOM 853 CA GLY A 60 5.735 -11.504 0.050 1.00 0.00 C ATOM 854 C GLY A 60 4.255 -11.714 0.301 1.00 0.00 C ATOM 855 O GLY A 60 3.415 -11.062 -0.321 1.00 0.00 O ATOM 0 H GLY A 60 7.300 -12.317 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.892 -10.508 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.079 -12.218 -0.698 1.00 0.00 H new ATOM 859 N ASP A 61 3.934 -12.626 1.211 1.00 0.00 N ATOM 860 CA ASP A 61 2.545 -12.920 1.542 1.00 0.00 C ATOM 861 C ASP A 61 1.838 -11.678 2.074 1.00 0.00 C ATOM 862 O ASP A 61 0.748 -11.329 1.619 1.00 0.00 O ATOM 863 CB ASP A 61 2.471 -14.046 2.575 1.00 0.00 C ATOM 864 CG ASP A 61 3.212 -15.291 2.128 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.428 -15.195 1.864 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.575 -16.362 2.042 1.00 0.00 O ATOM 0 H ASP A 61 4.617 -13.175 1.733 1.00 0.00 H new ATOM 0 HA ASP A 61 2.041 -13.240 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.889 -13.697 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.427 -14.296 2.762 1.00 0.00 H new ATOM 871 N TRP A 62 2.463 -11.016 3.040 1.00 0.00 N ATOM 872 CA TRP A 62 1.893 -9.812 3.635 1.00 0.00 C ATOM 873 C TRP A 62 2.972 -8.765 3.886 1.00 0.00 C ATOM 874 O TRP A 62 4.035 -9.073 4.427 1.00 0.00 O ATOM 875 CB TRP A 62 1.182 -10.154 4.946 1.00 0.00 C ATOM 876 CG TRP A 62 0.067 -11.141 4.777 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.186 -12.473 4.498 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.336 -10.873 4.872 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.059 -13.049 4.416 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.009 -12.089 4.642 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.090 -9.725 5.133 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.398 -12.186 4.663 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.468 -9.823 5.153 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.111 -11.046 4.920 1.00 0.00 C ATOM 0 H TRP A 62 3.365 -11.292 3.429 1.00 0.00 H new ATOM 0 HA TRP A 62 1.168 -9.398 2.934 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.909 -10.556 5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.784 -9.239 5.385 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.121 -12.996 4.362 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.245 -14.032 4.219 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.604 -8.778 5.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.895 -13.128 4.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.060 -8.942 5.352 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.190 -11.090 4.944 1.00 0.00 H new ATOM 895 N TRP A 63 2.694 -7.528 3.491 1.00 0.00 N ATOM 896 CA TRP A 63 3.642 -6.436 3.675 1.00 0.00 C ATOM 897 C TRP A 63 3.179 -5.492 4.778 1.00 0.00 C ATOM 898 O TRP A 63 1.986 -5.224 4.917 1.00 0.00 O ATOM 899 CB TRP A 63 3.820 -5.663 2.367 1.00 0.00 C ATOM 900 CG TRP A 63 4.494 -6.461 1.292 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.357 -7.505 1.466 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.362 -6.278 -0.122 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.769 -7.982 0.245 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.173 -7.247 -0.745 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.637 -5.391 -0.922 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.278 -7.351 -2.129 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.742 -5.495 -2.296 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.557 -6.470 -2.889 1.00 0.00 C ATOM 0 H TRP A 63 1.820 -7.256 3.041 1.00 0.00 H new ATOM 0 HA TRP A 63 4.600 -6.865 3.969 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.843 -5.338 2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.404 -4.763 2.562 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.670 -7.898 2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.415 -8.758 0.099 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.006 -4.638 -0.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.906 -8.100 -2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.187 -4.814 -2.924 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.617 -6.527 -3.966 1.00 0.00 H new ATOM 919 N GLU A 64 4.129 -4.990 5.561 1.00 0.00 N ATOM 920 CA GLU A 64 3.816 -4.076 6.653 1.00 0.00 C ATOM 921 C GLU A 64 3.867 -2.626 6.180 1.00 0.00 C ATOM 922 O GLU A 64 4.922 -2.126 5.792 1.00 0.00 O ATOM 923 CB GLU A 64 4.791 -4.280 7.814 1.00 0.00 C ATOM 924 CG GLU A 64 4.475 -3.428 9.032 1.00 0.00 C ATOM 925 CD GLU A 64 5.401 -3.711 10.199 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.168 -4.694 10.123 1.00 0.00 O ATOM 927 OE2 GLU A 64 5.358 -2.950 11.187 1.00 0.00 O ATOM 0 H GLU A 64 5.122 -5.201 5.459 1.00 0.00 H new ATOM 0 HA GLU A 64 2.804 -4.293 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.782 -5.331 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.801 -4.052 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.548 -2.374 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.445 -3.608 9.339 1.00 0.00 H new ATOM 934 N ALA A 65 2.719 -1.958 6.215 1.00 0.00 N ATOM 935 CA ALA A 65 2.632 -0.566 5.792 1.00 0.00 C ATOM 936 C ALA A 65 1.901 0.279 6.830 1.00 0.00 C ATOM 937 O ALA A 65 1.239 -0.253 7.722 1.00 0.00 O ATOM 938 CB ALA A 65 1.936 -0.466 4.443 1.00 0.00 C ATOM 0 H ALA A 65 1.836 -2.358 6.532 1.00 0.00 H new ATOM 0 HA ALA A 65 3.646 -0.178 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.878 0.579 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.501 -1.029 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.930 -0.877 4.521 1.00 0.00 H new ATOM 944 N ARG A 66 2.025 1.596 6.708 1.00 0.00 N ATOM 945 CA ARG A 66 1.377 2.514 7.637 1.00 0.00 C ATOM 946 C ARG A 66 0.486 3.504 6.892 1.00 0.00 C ATOM 947 O ARG A 66 0.976 4.418 6.230 1.00 0.00 O ATOM 948 CB ARG A 66 2.425 3.271 8.455 1.00 0.00 C ATOM 949 CG ARG A 66 1.829 4.192 9.507 1.00 0.00 C ATOM 950 CD ARG A 66 2.823 5.257 9.942 1.00 0.00 C ATOM 951 NE ARG A 66 2.562 5.727 11.300 1.00 0.00 N ATOM 952 CZ ARG A 66 2.912 5.054 12.391 1.00 0.00 C ATOM 953 NH1 ARG A 66 3.535 3.889 12.283 1.00 0.00 N ATOM 954 NH2 ARG A 66 2.640 5.547 13.592 1.00 0.00 N ATOM 0 H ARG A 66 2.568 2.052 5.975 1.00 0.00 H new ATOM 0 HA ARG A 66 0.754 1.927 8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.081 2.551 8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.046 3.859 7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.933 4.669 9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.520 3.606 10.372 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.834 4.854 9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.777 6.099 9.252 1.00 0.00 H new ATOM 0 HE ARG A 66 2.085 6.621 11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.747 3.507 11.361 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.803 3.374 13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.162 6.444 13.679 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.909 5.029 14.429 1.00 0.00 H new ATOM 968 N SER A 67 -0.825 3.313 7.004 1.00 0.00 N ATOM 969 CA SER A 67 -1.784 4.186 6.338 1.00 0.00 C ATOM 970 C SER A 67 -1.374 5.649 6.474 1.00 0.00 C ATOM 971 O SER A 67 -0.912 6.079 7.532 1.00 0.00 O ATOM 972 CB SER A 67 -3.183 3.980 6.921 1.00 0.00 C ATOM 973 OG SER A 67 -3.467 2.603 7.094 1.00 0.00 O ATOM 0 H SER A 67 -1.247 2.562 7.550 1.00 0.00 H new ATOM 0 HA SER A 67 -1.798 3.928 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.260 4.493 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.925 4.427 6.260 1.00 0.00 H new ATOM 0 HG SER A 67 -3.356 2.136 6.239 1.00 0.00 H new ATOM 979 N ILE A 68 -1.546 6.408 5.397 1.00 0.00 N ATOM 980 CA ILE A 68 -1.194 7.823 5.397 1.00 0.00 C ATOM 981 C ILE A 68 -2.405 8.690 5.725 1.00 0.00 C ATOM 982 O ILE A 68 -2.264 9.813 6.206 1.00 0.00 O ATOM 983 CB ILE A 68 -0.618 8.259 4.037 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.215 7.130 3.426 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.221 9.518 4.196 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.593 7.372 1.981 1.00 0.00 C ATOM 0 H ILE A 68 -1.927 6.067 4.514 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.433 7.960 6.165 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.445 8.481 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.124 7.001 4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.345 6.198 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.621 9.813 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.400 10.321 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.044 9.322 4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.182 6.532 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.311 7.472 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.181 8.287 1.907 1.00 0.00 H new ATOM 998 N ALA A 69 -3.595 8.159 5.462 1.00 0.00 N ATOM 999 CA ALA A 69 -4.831 8.882 5.733 1.00 0.00 C ATOM 1000 C ALA A 69 -5.259 8.712 7.187 1.00 0.00 C ATOM 1001 O ALA A 69 -5.378 9.688 7.929 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.934 8.411 4.797 1.00 0.00 C ATOM 0 H ALA A 69 -3.729 7.230 5.061 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.649 9.942 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.851 8.959 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.636 8.591 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.106 7.345 4.945 1.00 0.00 H new ATOM 1008 N THR A 70 -5.491 7.466 7.589 1.00 0.00 N ATOM 1009 CA THR A 70 -5.908 7.169 8.953 1.00 0.00 C ATOM 1010 C THR A 70 -4.712 7.129 9.897 1.00 0.00 C ATOM 1011 O THR A 70 -4.804 7.551 11.049 1.00 0.00 O ATOM 1012 CB THR A 70 -6.655 5.823 9.032 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.776 4.753 8.668 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.868 5.824 8.114 1.00 0.00 C ATOM 0 H THR A 70 -5.397 6.647 6.989 1.00 0.00 H new ATOM 0 HA THR A 70 -6.582 7.969 9.259 1.00 0.00 H new ATOM 0 HB THR A 70 -6.995 5.680 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.304 3.968 8.412 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.380 4.864 8.186 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.549 6.621 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.546 5.987 7.086 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.589 6.619 9.401 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.390 6.534 10.215 1.00 0.00 C ATOM 1024 C GLY A 71 -2.238 5.183 10.884 1.00 0.00 C ATOM 1025 O GLY A 71 -1.413 5.015 11.783 1.00 0.00 O ATOM 0 H GLY A 71 -3.488 6.263 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.517 6.728 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.416 7.313 10.977 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.037 4.215 10.448 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.989 2.870 11.011 1.00 0.00 C ATOM 1031 C LYS A 72 -1.729 2.137 10.562 1.00 0.00 C ATOM 1032 O LYS A 72 -0.973 2.636 9.729 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.230 2.077 10.594 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.528 2.648 11.137 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.647 1.621 11.102 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.004 2.282 10.913 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.468 2.960 12.155 1.00 0.00 N ATOM 0 H LYS A 72 -3.726 4.337 9.706 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.969 2.957 12.097 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.283 2.048 9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.125 1.047 10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.377 2.988 12.162 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.816 3.521 10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.469 0.915 10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.646 1.048 12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.944 3.009 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.735 1.531 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.396 3.398 11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.549 2.262 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.783 3.694 12.426 1.00 0.00 H new ATOM 1051 N SER A 73 -1.511 0.950 11.118 1.00 0.00 N ATOM 1052 CA SER A 73 -0.341 0.149 10.776 1.00 0.00 C ATOM 1053 C SER A 73 -0.608 -1.333 11.018 1.00 0.00 C ATOM 1054 O SER A 73 -1.236 -1.709 12.006 1.00 0.00 O ATOM 1055 CB SER A 73 0.870 0.601 11.595 1.00 0.00 C ATOM 1056 OG SER A 73 0.562 0.646 12.978 1.00 0.00 O ATOM 0 H SER A 73 -2.129 0.521 11.807 1.00 0.00 H new ATOM 0 HA SER A 73 -0.129 0.294 9.717 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.702 -0.082 11.427 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.193 1.586 11.259 1.00 0.00 H new ATOM 0 HG SER A 73 1.352 0.936 13.480 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.125 -2.172 10.106 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.321 -3.603 10.236 1.00 0.00 C ATOM 1064 C GLY A 74 0.282 -4.379 9.082 1.00 0.00 C ATOM 1065 O GLY A 74 1.413 -4.117 8.672 1.00 0.00 O ATOM 0 H GLY A 74 0.399 -1.885 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.124 -3.944 11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.388 -3.816 10.295 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.473 -5.338 8.557 1.00 0.00 N ATOM 1070 CA TYR A 75 -0.005 -6.157 7.446 1.00 0.00 C ATOM 1071 C TYR A 75 -1.067 -6.253 6.355 1.00 0.00 C ATOM 1072 O TYR A 75 -2.195 -6.678 6.607 1.00 0.00 O ATOM 1073 CB TYR A 75 0.365 -7.557 7.938 1.00 0.00 C ATOM 1074 CG TYR A 75 1.412 -7.559 9.029 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.483 -6.673 8.992 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.332 -8.445 10.095 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.442 -6.671 9.986 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.285 -8.449 11.094 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.339 -7.561 11.036 1.00 0.00 C ATOM 1080 OH TYR A 75 4.292 -7.563 12.028 1.00 0.00 O ATOM 0 H TYR A 75 -1.412 -5.567 8.883 1.00 0.00 H new ATOM 0 HA TYR A 75 0.881 -5.681 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.533 -8.052 8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.729 -8.144 7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.566 -5.975 8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.510 -9.143 10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.268 -5.977 9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.206 -9.144 11.917 1.00 0.00 H new ATOM 0 HH TYR A 75 4.071 -8.249 12.692 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.697 -5.856 5.142 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.616 -5.899 4.011 1.00 0.00 C ATOM 1092 C ILE A 76 -1.123 -6.864 2.938 1.00 0.00 C ATOM 1093 O ILE A 76 0.069 -6.942 2.638 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.804 -4.505 3.385 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.447 -3.889 3.040 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.577 -3.599 4.332 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.544 -2.674 2.146 1.00 0.00 C ATOM 0 H ILE A 76 0.232 -5.501 4.917 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.574 -6.247 4.396 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.378 -4.611 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.062 -3.611 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.170 -4.642 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.702 -2.617 3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.557 -4.033 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.027 -3.497 5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.456 -2.291 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.024 -2.950 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.134 -1.904 2.642 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.060 -7.616 2.342 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.745 -8.588 1.291 1.00 0.00 C ATOM 1111 C PRO A 77 -1.318 -7.916 -0.010 1.00 0.00 C ATOM 1112 O PRO A 77 -2.061 -7.117 -0.580 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.064 -9.340 1.096 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.116 -8.382 1.540 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.500 -7.576 2.650 1.00 0.00 C ATOM 0 HA PRO A 77 -0.909 -9.231 1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.205 -9.628 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.088 -10.256 1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.430 -7.738 0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.004 -8.911 1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.880 -6.554 2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.714 -8.009 3.627 1.00 0.00 H new ATOM 1123 N SER A 78 -0.118 -8.246 -0.474 1.00 0.00 N ATOM 1124 CA SER A 78 0.410 -7.672 -1.707 1.00 0.00 C ATOM 1125 C SER A 78 -0.380 -8.163 -2.916 1.00 0.00 C ATOM 1126 O SER A 78 -0.123 -7.753 -4.047 1.00 0.00 O ATOM 1127 CB SER A 78 1.888 -8.030 -1.870 1.00 0.00 C ATOM 1128 OG SER A 78 2.046 -9.389 -2.239 1.00 0.00 O ATOM 0 H SER A 78 0.508 -8.908 -0.015 1.00 0.00 H new ATOM 0 HA SER A 78 0.311 -6.588 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.339 -7.389 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.417 -7.840 -0.936 1.00 0.00 H new ATOM 0 HG SER A 78 2.520 -9.868 -1.528 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.344 -9.044 -2.668 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.172 -9.593 -3.735 1.00 0.00 C ATOM 1136 C ASN A 79 -3.424 -8.746 -3.942 1.00 0.00 C ATOM 1137 O ASN A 79 -4.234 -9.023 -4.827 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.565 -11.036 -3.414 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.409 -11.839 -2.851 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -1.170 -11.842 -1.643 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -0.683 -12.525 -3.726 1.00 0.00 N ATOM 0 H ASN A 79 -1.571 -9.393 -1.737 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.590 -9.580 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.386 -11.035 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.933 -11.519 -4.319 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.108 -13.083 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.917 -12.494 -4.718 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.576 -7.714 -3.119 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.730 -6.828 -3.210 1.00 0.00 C ATOM 1150 C TYR A 80 -4.296 -5.398 -3.516 1.00 0.00 C ATOM 1151 O TYR A 80 -4.987 -4.665 -4.224 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.530 -6.863 -1.906 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.599 -7.932 -1.879 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.359 -9.195 -2.405 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.848 -7.678 -1.327 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.333 -10.174 -2.383 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.828 -8.652 -1.300 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.566 -9.898 -1.829 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.538 -10.871 -1.805 1.00 0.00 O ATOM 0 H TYR A 80 -2.915 -7.471 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.362 -7.179 -4.026 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.845 -7.025 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.997 -5.890 -1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.395 -9.415 -2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.057 -6.703 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.130 -11.151 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.794 -8.438 -0.867 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.346 -10.515 -1.380 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.146 -5.007 -2.976 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.617 -3.666 -3.192 1.00 0.00 C ATOM 1171 C VAL A 81 -1.501 -3.675 -4.229 1.00 0.00 C ATOM 1172 O VAL A 81 -0.676 -4.589 -4.261 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.081 -3.057 -1.882 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.194 -2.939 -0.853 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.929 -3.889 -1.341 1.00 0.00 C ATOM 0 H VAL A 81 -2.563 -5.600 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.443 -3.055 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.708 -2.055 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.796 -2.507 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.984 -2.297 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.601 -3.928 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.562 -3.445 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.274 -4.904 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.123 -3.916 -2.075 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.480 -2.652 -5.078 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.463 -2.542 -6.117 1.00 0.00 C ATOM 1187 C VAL A 82 0.178 -1.159 -6.113 1.00 0.00 C ATOM 1188 O VAL A 82 -0.427 -0.168 -5.704 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.055 -2.817 -7.512 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.089 -3.930 -7.444 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.662 -1.549 -8.094 1.00 0.00 C ATOM 0 H VAL A 82 -2.156 -1.888 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 82 0.297 -3.292 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.250 -3.142 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.496 -4.110 -8.439 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.619 -4.841 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.894 -3.638 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.075 -1.763 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.455 -1.191 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.891 -0.784 -8.182 1.00 0.00 H new ATOM 1201 N PRO A 83 1.433 -1.087 -6.581 1.00 0.00 N ATOM 1202 CA PRO A 83 2.184 0.170 -6.643 1.00 0.00 C ATOM 1203 C PRO A 83 1.633 1.123 -7.698 1.00 0.00 C ATOM 1204 O PRO A 83 1.354 0.721 -8.827 1.00 0.00 O ATOM 1205 CB PRO A 83 3.599 -0.280 -7.017 1.00 0.00 C ATOM 1206 CG PRO A 83 3.409 -1.576 -7.726 1.00 0.00 C ATOM 1207 CD PRO A 83 2.215 -2.228 -7.086 1.00 0.00 C ATOM 0 HA PRO A 83 2.131 0.723 -5.705 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.091 0.453 -7.656 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.223 -0.401 -6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.242 -1.417 -8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.294 -2.205 -7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.646 -2.818 -7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.508 -2.902 -6.281 1.00 0.00 H new ATOM 1215 N ALA A 84 1.479 2.389 -7.322 1.00 0.00 N ATOM 1216 CA ALA A 84 0.963 3.400 -8.237 1.00 0.00 C ATOM 1217 C ALA A 84 1.903 3.599 -9.421 1.00 0.00 C ATOM 1218 O ALA A 84 1.590 4.336 -10.357 1.00 0.00 O ATOM 1219 CB ALA A 84 0.749 4.715 -7.503 1.00 0.00 C ATOM 0 H ALA A 84 1.704 2.738 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 84 0.005 3.052 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.364 5.461 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.033 4.568 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.697 5.060 -7.090 1.00 0.00 H new ATOM 1225 N ASP A 85 3.055 2.940 -9.373 1.00 0.00 N ATOM 1226 CA ASP A 85 4.041 3.045 -10.443 1.00 0.00 C ATOM 1227 C ASP A 85 3.900 1.888 -11.427 1.00 0.00 C ATOM 1228 O ASP A 85 3.988 2.078 -12.640 1.00 0.00 O ATOM 1229 CB ASP A 85 5.456 3.067 -9.861 1.00 0.00 C ATOM 1230 CG ASP A 85 5.543 3.876 -8.582 1.00 0.00 C ATOM 1231 OD1 ASP A 85 4.906 4.949 -8.513 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.248 3.437 -7.650 1.00 0.00 O ATOM 0 H ASP A 85 3.330 2.327 -8.605 1.00 0.00 H new ATOM 0 HA ASP A 85 3.862 3.977 -10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.781 2.045 -9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.143 3.483 -10.598 1.00 0.00 H new ATOM 1237 N SER A 86 3.683 0.689 -10.896 1.00 0.00 N ATOM 1238 CA SER A 86 3.535 -0.500 -11.727 1.00 0.00 C ATOM 1239 C SER A 86 2.091 -0.991 -11.720 1.00 0.00 C ATOM 1240 O SER A 86 1.823 -2.167 -11.969 1.00 0.00 O ATOM 1241 CB SER A 86 4.466 -1.610 -11.235 1.00 0.00 C ATOM 1242 OG SER A 86 5.719 -1.554 -11.894 1.00 0.00 O ATOM 0 H SER A 86 3.606 0.515 -9.894 1.00 0.00 H new ATOM 0 HA SER A 86 3.805 -0.235 -12.749 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.613 -1.515 -10.159 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.003 -2.581 -11.409 1.00 0.00 H new ATOM 0 HG SER A 86 6.296 -2.272 -11.561 1.00 0.00 H new ATOM 1248 N ILE A 87 1.165 -0.082 -11.434 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.252 -0.422 -11.396 1.00 0.00 C ATOM 1250 C ILE A 87 -0.586 -1.502 -12.420 1.00 0.00 C ATOM 1251 O ILE A 87 -0.685 -1.227 -13.615 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.134 0.812 -11.661 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.467 2.072 -11.106 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.512 0.620 -11.045 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.438 3.200 -10.834 1.00 0.00 C ATOM 0 H ILE A 87 1.370 0.895 -11.225 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.460 -0.798 -10.394 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.252 0.931 -12.738 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.054 1.821 -10.182 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.288 2.416 -11.814 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.124 1.501 -11.241 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.988 -0.257 -11.484 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.413 0.479 -9.969 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.896 4.061 -10.442 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.941 3.479 -11.760 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.178 2.875 -10.103 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.761 -2.729 -11.942 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.086 -3.850 -12.816 1.00 0.00 C ATOM 1269 C GLN A 88 -2.559 -3.824 -13.210 1.00 0.00 C ATOM 1270 O GLN A 88 -2.950 -4.395 -14.228 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.754 -5.175 -12.127 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.490 -5.379 -10.813 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.780 -6.350 -9.890 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.325 -7.394 -9.531 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.443 -6.010 -9.502 1.00 0.00 N ATOM 0 H GLN A 88 -0.683 -2.973 -10.955 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.485 -3.758 -13.721 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.997 -5.996 -12.801 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.319 -5.220 -11.943 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.599 -4.419 -10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.495 -5.747 -11.018 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.855 -5.135 -9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.970 -6.624 -8.881 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.372 -3.158 -12.397 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.802 -3.056 -12.662 1.00 0.00 C ATOM 1286 C ALA A 89 -5.222 -1.603 -12.857 1.00 0.00 C ATOM 1287 O ALA A 89 -6.369 -1.240 -12.598 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.595 -3.689 -11.528 1.00 0.00 C ATOM 0 H ALA A 89 -3.065 -2.681 -11.549 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.015 -3.595 -13.585 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.661 -3.606 -11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.324 -4.741 -11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.369 -3.174 -10.594 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.286 -0.778 -13.315 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.561 0.636 -13.543 1.00 0.00 C ATOM 1296 C GLU A 90 -5.989 0.840 -14.041 1.00 0.00 C ATOM 1297 O GLU A 90 -6.607 1.870 -13.777 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.569 1.214 -14.555 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.229 0.260 -15.688 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.822 0.459 -16.216 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -0.889 0.559 -15.392 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.654 0.514 -17.452 1.00 0.00 O ATOM 0 H GLU A 90 -3.332 -1.064 -13.535 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.448 1.159 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.984 2.130 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.651 1.489 -14.035 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.340 -0.767 -15.339 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.941 0.399 -16.501 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.505 -0.151 -14.762 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.859 -0.080 -15.298 1.00 0.00 C ATOM 1311 C GLU A 91 -8.801 0.600 -14.308 1.00 0.00 C ATOM 1312 O GLU A 91 -9.750 1.276 -14.703 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.375 -1.482 -15.629 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.721 -2.097 -16.854 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.621 -3.094 -17.557 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -9.521 -2.657 -18.305 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.426 -4.312 -17.360 1.00 0.00 O ATOM 0 H GLU A 91 -6.006 -1.011 -14.988 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.830 0.513 -16.212 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.207 -2.134 -14.772 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.452 -1.436 -15.787 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.448 -1.305 -17.551 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.797 -2.593 -16.557 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.530 0.415 -13.021 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.353 1.010 -11.974 1.00 0.00 C ATOM 1326 C TRP A 92 -9.305 2.532 -12.043 1.00 0.00 C ATOM 1327 O TRP A 92 -10.337 3.200 -11.966 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.886 0.534 -10.598 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.517 1.023 -10.233 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.360 0.298 -10.234 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.164 2.345 -9.812 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.309 1.090 -9.839 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.775 2.350 -9.575 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.884 3.526 -9.614 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.097 3.489 -9.150 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.210 4.656 -9.191 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.827 4.631 -8.964 1.00 0.00 C ATOM 0 H TRP A 92 -7.747 -0.142 -12.677 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.383 0.691 -12.130 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.597 0.871 -9.844 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.892 -0.556 -10.577 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.282 -0.744 -10.505 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.338 0.788 -9.756 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.949 3.555 -9.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.032 3.472 -8.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.758 5.573 -9.033 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.328 5.531 -8.636 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.101 3.076 -12.188 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.919 4.521 -12.264 1.00 0.00 C ATOM 1350 C TYR A 93 -8.224 5.034 -13.668 1.00 0.00 C ATOM 1351 O TYR A 93 -8.679 6.165 -13.843 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.490 4.897 -11.870 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.549 5.016 -13.048 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.736 5.994 -14.016 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.471 4.150 -13.190 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.879 6.105 -15.094 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.608 4.254 -14.264 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.816 5.233 -15.213 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.960 5.342 -16.285 1.00 0.00 O ATOM 0 H TYR A 93 -7.237 2.538 -12.255 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.615 4.988 -11.567 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.508 5.845 -11.332 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.103 4.147 -11.181 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.566 6.680 -13.925 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.305 3.383 -12.448 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.040 6.870 -15.839 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.775 3.573 -14.360 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.397 4.993 -17.090 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.970 4.195 -14.666 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.217 4.562 -16.056 1.00 0.00 C ATOM 1371 C PHE A 94 -9.697 4.849 -16.288 1.00 0.00 C ATOM 1372 O PHE A 94 -10.058 5.853 -16.902 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.749 3.446 -16.991 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.327 3.602 -17.447 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.989 4.558 -18.392 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.327 2.793 -16.931 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.681 4.705 -18.813 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.017 2.935 -17.349 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.694 3.891 -18.292 1.00 0.00 C ATOM 0 H PHE A 94 -7.593 3.256 -14.539 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.651 5.468 -16.272 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.856 2.488 -16.482 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.401 3.417 -17.864 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.757 5.196 -18.804 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.574 2.043 -16.194 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.431 5.455 -19.548 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.247 2.299 -16.939 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.671 4.002 -18.622 1.00 0.00 H new