USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=17 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 Set 1.1: A 45 SER OG : rot -170:sc= -1.13 USER MOD Set 1.2: A 70 THR OG1 : rot -115:sc= -0.282 USER MOD Set 1.3: A 72 LYS NZ :NH3+ 172:sc= 0.058 (180deg=0.017) USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.24 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 143:sc= -0.604 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.674 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 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=-5.29e-05 X(o=-5.3e-05,f=-0.3) USER MOD Single : A 56 ASN : amide:sc= -0.863 K(o=-0.86,f=-3.3!) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.329 F(o=-0.26,f=0.33) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -75:sc= 0.872 USER MOD Single : A 73 SER OG : rot 42:sc=0.000651 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -117:sc= 0.12 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -76:sc= 0.111! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.865 3.013 -0.938 1.00 0.00 N ATOM 325 CA THR A 28 7.136 2.894 -2.194 1.00 0.00 C ATOM 326 C THR A 28 5.637 3.060 -1.978 1.00 0.00 C ATOM 327 O THR A 28 5.066 2.482 -1.053 1.00 0.00 O ATOM 328 CB THR A 28 7.399 1.535 -2.869 1.00 0.00 C ATOM 329 OG1 THR A 28 8.804 1.259 -2.885 1.00 0.00 O ATOM 330 CG2 THR A 28 6.859 1.524 -4.291 1.00 0.00 C ATOM 0 HA THR A 28 7.496 3.691 -2.845 1.00 0.00 H new ATOM 0 HB THR A 28 6.885 0.764 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.222 1.643 -2.086 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.056 0.554 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.784 1.705 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.349 2.305 -4.872 1.00 0.00 H new ATOM 338 N ILE A 29 5.004 3.853 -2.837 1.00 0.00 N ATOM 339 CA ILE A 29 3.569 4.092 -2.740 1.00 0.00 C ATOM 340 C ILE A 29 2.776 2.900 -3.264 1.00 0.00 C ATOM 341 O ILE A 29 3.152 2.279 -4.258 1.00 0.00 O ATOM 342 CB ILE A 29 3.155 5.353 -3.522 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.525 6.612 -2.735 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.663 5.326 -3.818 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.837 6.709 -1.392 1.00 0.00 C ATOM 0 H ILE A 29 5.462 4.340 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 29 3.344 4.238 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 29 3.693 5.368 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.604 6.632 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.270 7.490 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.385 6.223 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.426 4.445 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.107 5.291 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.146 7.626 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.757 6.721 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.111 5.850 -0.780 1.00 0.00 H new ATOM 357 N PHE A 30 1.676 2.586 -2.588 1.00 0.00 N ATOM 358 CA PHE A 30 0.828 1.468 -2.985 1.00 0.00 C ATOM 359 C PHE A 30 -0.646 1.802 -2.776 1.00 0.00 C ATOM 360 O PHE A 30 -1.009 2.488 -1.820 1.00 0.00 O ATOM 361 CB PHE A 30 1.196 0.213 -2.191 1.00 0.00 C ATOM 362 CG PHE A 30 2.319 -0.575 -2.802 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.615 -0.084 -2.789 1.00 0.00 C ATOM 364 CD2 PHE A 30 2.079 -1.807 -3.389 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.649 -0.808 -3.352 1.00 0.00 C ATOM 366 CE2 PHE A 30 3.110 -2.535 -3.953 1.00 0.00 C ATOM 367 CZ PHE A 30 4.397 -2.035 -3.933 1.00 0.00 C ATOM 0 H PHE A 30 1.351 3.090 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 30 0.993 1.279 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.475 0.503 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.317 -0.426 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.819 0.874 -2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.074 -2.203 -3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.654 -0.414 -3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.909 -3.493 -4.409 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.205 -2.602 -4.371 1.00 0.00 H new ATOM 377 N VAL A 31 -1.492 1.312 -3.676 1.00 0.00 N ATOM 378 CA VAL A 31 -2.927 1.557 -3.591 1.00 0.00 C ATOM 379 C VAL A 31 -3.704 0.248 -3.502 1.00 0.00 C ATOM 380 O VAL A 31 -3.329 -0.751 -4.115 1.00 0.00 O ATOM 381 CB VAL A 31 -3.432 2.359 -4.804 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.915 2.108 -5.031 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.158 3.843 -4.613 1.00 0.00 C ATOM 0 H VAL A 31 -1.208 0.742 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.095 2.138 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.891 2.024 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.254 2.683 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.080 1.047 -5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.475 2.414 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.522 4.395 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.670 4.195 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.085 4.004 -4.504 1.00 0.00 H new ATOM 393 N ALA A 32 -4.789 0.261 -2.734 1.00 0.00 N ATOM 394 CA ALA A 32 -5.620 -0.924 -2.567 1.00 0.00 C ATOM 395 C ALA A 32 -6.672 -1.017 -3.667 1.00 0.00 C ATOM 396 O ALA A 32 -7.573 -0.181 -3.752 1.00 0.00 O ATOM 397 CB ALA A 32 -6.285 -0.913 -1.198 1.00 0.00 C ATOM 0 H ALA A 32 -5.112 1.079 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.977 -1.801 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.903 -1.804 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.520 -0.903 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.909 -0.024 -1.104 1.00 0.00 H new ATOM 403 N LEU A 33 -6.551 -2.037 -4.510 1.00 0.00 N ATOM 404 CA LEU A 33 -7.491 -2.239 -5.607 1.00 0.00 C ATOM 405 C LEU A 33 -8.797 -2.844 -5.101 1.00 0.00 C ATOM 406 O LEU A 33 -9.878 -2.505 -5.583 1.00 0.00 O ATOM 407 CB LEU A 33 -6.875 -3.147 -6.672 1.00 0.00 C ATOM 408 CG LEU A 33 -5.430 -2.836 -7.064 1.00 0.00 C ATOM 409 CD1 LEU A 33 -4.936 -3.825 -8.109 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.312 -1.410 -7.580 1.00 0.00 C ATOM 0 H LEU A 33 -5.811 -2.737 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.709 -1.267 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.920 -4.176 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.493 -3.094 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.804 -2.933 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.906 -3.588 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.983 -4.836 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.565 -3.761 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.277 -1.207 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.950 -1.286 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.624 -0.714 -6.801 1.00 0.00 H new ATOM 422 N TYR A 34 -8.689 -3.738 -4.125 1.00 0.00 N ATOM 423 CA TYR A 34 -9.861 -4.391 -3.553 1.00 0.00 C ATOM 424 C TYR A 34 -9.991 -4.072 -2.067 1.00 0.00 C ATOM 425 O TYR A 34 -8.993 -3.955 -1.356 1.00 0.00 O ATOM 426 CB TYR A 34 -9.778 -5.905 -3.756 1.00 0.00 C ATOM 427 CG TYR A 34 -9.097 -6.306 -5.045 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.803 -6.352 -6.241 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.749 -6.641 -5.067 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.186 -6.720 -7.421 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.123 -7.008 -6.242 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.846 -7.046 -7.417 1.00 0.00 C ATOM 433 OH TYR A 34 -7.226 -7.412 -8.589 1.00 0.00 O ATOM 0 H TYR A 34 -7.802 -4.027 -3.713 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.744 -4.011 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.239 -6.347 -2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.785 -6.321 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.852 -6.096 -6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.181 -6.614 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.750 -6.752 -8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.074 -7.264 -6.241 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.282 -7.609 -8.412 1.00 0.00 H new ATOM 443 N ASP A 35 -11.229 -3.933 -1.604 1.00 0.00 N ATOM 444 CA ASP A 35 -11.492 -3.629 -0.203 1.00 0.00 C ATOM 445 C ASP A 35 -11.208 -4.842 0.679 1.00 0.00 C ATOM 446 O ASP A 35 -11.597 -5.963 0.352 1.00 0.00 O ATOM 447 CB ASP A 35 -12.942 -3.178 -0.020 1.00 0.00 C ATOM 448 CG ASP A 35 -13.926 -4.098 -0.714 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.596 -5.288 -0.901 1.00 0.00 O ATOM 450 OD2 ASP A 35 -15.027 -3.629 -1.069 1.00 0.00 O ATOM 0 H ASP A 35 -12.066 -4.026 -2.179 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.827 -2.819 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.175 -3.137 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.057 -2.167 -0.410 1.00 0.00 H new ATOM 455 N TYR A 36 -10.528 -4.609 1.795 1.00 0.00 N ATOM 456 CA TYR A 36 -10.189 -5.682 2.722 1.00 0.00 C ATOM 457 C TYR A 36 -10.437 -5.255 4.165 1.00 0.00 C ATOM 458 O TYR A 36 -10.478 -4.064 4.472 1.00 0.00 O ATOM 459 CB TYR A 36 -8.727 -6.095 2.545 1.00 0.00 C ATOM 460 CG TYR A 36 -8.216 -7.001 3.642 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.469 -8.367 3.615 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.481 -6.492 4.705 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.005 -9.199 4.616 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.012 -7.317 5.709 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.277 -8.669 5.660 1.00 0.00 C ATOM 466 OH TYR A 36 -6.812 -9.494 6.659 1.00 0.00 O ATOM 0 H TYR A 36 -10.200 -3.686 2.080 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.830 -6.535 2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.615 -6.601 1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.107 -5.199 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.038 -8.786 2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.273 -5.433 4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.211 -10.258 4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.441 -6.905 6.528 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.922 -9.196 6.942 1.00 0.00 H new ATOM 476 N GLU A 37 -10.601 -6.237 5.046 1.00 0.00 N ATOM 477 CA GLU A 37 -10.846 -5.963 6.458 1.00 0.00 C ATOM 478 C GLU A 37 -9.806 -6.655 7.334 1.00 0.00 C ATOM 479 O GLU A 37 -9.673 -7.878 7.310 1.00 0.00 O ATOM 480 CB GLU A 37 -12.250 -6.423 6.854 1.00 0.00 C ATOM 481 CG GLU A 37 -12.821 -5.677 8.048 1.00 0.00 C ATOM 482 CD GLU A 37 -13.196 -4.246 7.717 1.00 0.00 C ATOM 483 OE1 GLU A 37 -12.295 -3.471 7.331 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.389 -3.900 7.843 1.00 0.00 O ATOM 0 H GLU A 37 -10.569 -7.228 4.808 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.768 -4.887 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.919 -6.295 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.223 -7.489 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.702 -6.204 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.090 -5.679 8.857 1.00 0.00 H new ATOM 491 N ALA A 38 -9.070 -5.862 8.107 1.00 0.00 N ATOM 492 CA ALA A 38 -8.043 -6.397 8.992 1.00 0.00 C ATOM 493 C ALA A 38 -8.610 -7.489 9.893 1.00 0.00 C ATOM 494 O ALA A 38 -9.403 -7.215 10.794 1.00 0.00 O ATOM 495 CB ALA A 38 -7.435 -5.282 9.830 1.00 0.00 C ATOM 0 H ALA A 38 -9.166 -4.847 8.138 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.261 -6.840 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.670 -5.696 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.986 -4.537 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.214 -4.813 10.432 1.00 0.00 H new ATOM 501 N ARG A 39 -8.199 -8.728 9.643 1.00 0.00 N ATOM 502 CA ARG A 39 -8.668 -9.862 10.431 1.00 0.00 C ATOM 503 C ARG A 39 -8.419 -9.630 11.919 1.00 0.00 C ATOM 504 O ARG A 39 -9.147 -10.143 12.769 1.00 0.00 O ATOM 505 CB ARG A 39 -7.970 -11.147 9.980 1.00 0.00 C ATOM 506 CG ARG A 39 -8.387 -11.612 8.595 1.00 0.00 C ATOM 507 CD ARG A 39 -8.299 -13.125 8.466 1.00 0.00 C ATOM 508 NE ARG A 39 -9.424 -13.795 9.113 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.595 -15.112 9.109 1.00 0.00 C ATOM 510 NH1 ARG A 39 -8.719 -15.896 8.496 1.00 0.00 N ATOM 511 NH2 ARG A 39 -10.644 -15.648 9.720 1.00 0.00 N ATOM 0 H ARG A 39 -7.543 -8.972 8.901 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.741 -9.965 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.892 -10.988 9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.183 -11.938 10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.408 -11.287 8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.749 -11.144 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.272 -13.398 7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.366 -13.473 8.909 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.116 -13.220 9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.911 -15.488 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.853 -16.907 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.320 -15.048 10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.774 -16.660 9.716 1.00 0.00 H new ATOM 525 N THR A 40 -7.384 -8.855 12.227 1.00 0.00 N ATOM 526 CA THR A 40 -7.038 -8.556 13.611 1.00 0.00 C ATOM 527 C THR A 40 -6.092 -7.363 13.696 1.00 0.00 C ATOM 528 O THR A 40 -5.550 -6.913 12.686 1.00 0.00 O ATOM 529 CB THR A 40 -6.381 -9.768 14.299 1.00 0.00 C ATOM 530 OG1 THR A 40 -5.677 -9.343 15.471 1.00 0.00 O ATOM 531 CG2 THR A 40 -5.421 -10.473 13.353 1.00 0.00 C ATOM 0 H THR A 40 -6.770 -8.423 11.536 1.00 0.00 H new ATOM 0 HA THR A 40 -7.968 -8.315 14.125 1.00 0.00 H new ATOM 0 HB THR A 40 -7.167 -10.468 14.581 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.264 -10.119 15.904 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.970 -11.325 13.861 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.965 -10.821 12.475 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.639 -9.779 13.044 1.00 0.00 H new ATOM 539 N THR A 41 -5.897 -6.854 14.908 1.00 0.00 N ATOM 540 CA THR A 41 -5.017 -5.713 15.125 1.00 0.00 C ATOM 541 C THR A 41 -3.710 -5.872 14.356 1.00 0.00 C ATOM 542 O THR A 41 -3.176 -4.904 13.816 1.00 0.00 O ATOM 543 CB THR A 41 -4.700 -5.524 16.621 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.685 -4.528 16.785 1.00 0.00 O ATOM 545 CG2 THR A 41 -4.238 -6.833 17.245 1.00 0.00 C ATOM 0 H THR A 41 -6.337 -7.214 15.755 1.00 0.00 H new ATOM 0 HA THR A 41 -5.545 -4.833 14.759 1.00 0.00 H new ATOM 0 HB THR A 41 -5.611 -5.200 17.125 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.491 -4.413 17.739 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.020 -6.676 18.301 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.024 -7.581 17.144 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.339 -7.181 16.737 1.00 0.00 H new ATOM 553 N GLU A 42 -3.201 -7.099 14.311 1.00 0.00 N ATOM 554 CA GLU A 42 -1.956 -7.384 13.608 1.00 0.00 C ATOM 555 C GLU A 42 -2.060 -6.990 12.137 1.00 0.00 C ATOM 556 O GLU A 42 -1.121 -6.439 11.563 1.00 0.00 O ATOM 557 CB GLU A 42 -1.605 -8.868 13.726 1.00 0.00 C ATOM 558 CG GLU A 42 -1.633 -9.388 15.153 1.00 0.00 C ATOM 559 CD GLU A 42 -1.992 -10.860 15.231 1.00 0.00 C ATOM 560 OE1 GLU A 42 -1.814 -11.567 14.218 1.00 0.00 O ATOM 561 OE2 GLU A 42 -2.451 -11.303 16.304 1.00 0.00 O ATOM 0 H GLU A 42 -3.632 -7.911 14.753 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.165 -6.794 14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.305 -9.447 13.123 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.612 -9.032 13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.657 -9.231 15.612 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.354 -8.811 15.732 1.00 0.00 H new ATOM 568 N ASP A 43 -3.208 -7.277 11.534 1.00 0.00 N ATOM 569 CA ASP A 43 -3.437 -6.953 10.130 1.00 0.00 C ATOM 570 C ASP A 43 -3.839 -5.491 9.968 1.00 0.00 C ATOM 571 O ASP A 43 -4.346 -4.868 10.902 1.00 0.00 O ATOM 572 CB ASP A 43 -4.520 -7.861 9.545 1.00 0.00 C ATOM 573 CG ASP A 43 -4.004 -9.252 9.235 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.030 -9.683 9.887 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.575 -9.911 8.340 1.00 0.00 O ATOM 0 H ASP A 43 -3.995 -7.733 11.995 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.505 -7.117 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.349 -7.933 10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.914 -7.411 8.634 1.00 0.00 H new ATOM 580 N LEU A 44 -3.608 -4.948 8.778 1.00 0.00 N ATOM 581 CA LEU A 44 -3.946 -3.557 8.494 1.00 0.00 C ATOM 582 C LEU A 44 -5.260 -3.462 7.725 1.00 0.00 C ATOM 583 O LEU A 44 -5.429 -4.097 6.684 1.00 0.00 O ATOM 584 CB LEU A 44 -2.824 -2.893 7.693 1.00 0.00 C ATOM 585 CG LEU A 44 -2.641 -1.391 7.912 1.00 0.00 C ATOM 586 CD1 LEU A 44 -2.042 -0.740 6.676 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.968 -0.739 8.272 1.00 0.00 C ATOM 0 H LEU A 44 -3.188 -5.449 7.995 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.064 -3.036 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.886 -3.392 7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.011 -3.065 6.633 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.951 -1.246 8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.919 0.329 6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.071 -1.187 6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.706 -0.894 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.819 0.330 8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.681 -0.894 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.356 -1.185 9.188 1.00 0.00 H new ATOM 599 N SER A 45 -6.187 -2.663 8.244 1.00 0.00 N ATOM 600 CA SER A 45 -7.486 -2.485 7.608 1.00 0.00 C ATOM 601 C SER A 45 -7.419 -1.414 6.524 1.00 0.00 C ATOM 602 O SER A 45 -7.174 -0.241 6.808 1.00 0.00 O ATOM 603 CB SER A 45 -8.541 -2.107 8.650 1.00 0.00 C ATOM 604 OG SER A 45 -8.093 -1.036 9.462 1.00 0.00 O ATOM 0 H SER A 45 -6.062 -2.129 9.104 1.00 0.00 H new ATOM 0 HA SER A 45 -7.767 -3.430 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.467 -1.825 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.767 -2.972 9.274 1.00 0.00 H new ATOM 0 HG SER A 45 -8.709 -0.916 10.215 1.00 0.00 H new ATOM 610 N PHE A 46 -7.637 -1.826 5.279 1.00 0.00 N ATOM 611 CA PHE A 46 -7.600 -0.902 4.151 1.00 0.00 C ATOM 612 C PHE A 46 -8.833 -1.073 3.269 1.00 0.00 C ATOM 613 O PHE A 46 -9.570 -2.051 3.393 1.00 0.00 O ATOM 614 CB PHE A 46 -6.333 -1.125 3.324 1.00 0.00 C ATOM 615 CG PHE A 46 -6.149 -2.548 2.879 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.557 -3.479 3.717 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.569 -2.955 1.623 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.387 -4.788 3.310 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.402 -4.263 1.210 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.810 -5.181 2.055 1.00 0.00 C ATOM 0 H PHE A 46 -7.841 -2.793 5.026 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.594 0.114 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.364 -0.480 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.467 -0.822 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.225 -3.178 4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.033 -2.241 0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.924 -5.504 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.734 -4.567 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.678 -6.204 1.735 1.00 0.00 H new ATOM 630 N LYS A 47 -9.052 -0.112 2.377 1.00 0.00 N ATOM 631 CA LYS A 47 -10.195 -0.154 1.472 1.00 0.00 C ATOM 632 C LYS A 47 -9.767 0.154 0.040 1.00 0.00 C ATOM 633 O LYS A 47 -8.664 0.648 -0.196 1.00 0.00 O ATOM 634 CB LYS A 47 -11.264 0.844 1.921 1.00 0.00 C ATOM 635 CG LYS A 47 -11.796 0.578 3.319 1.00 0.00 C ATOM 636 CD LYS A 47 -12.720 -0.629 3.343 1.00 0.00 C ATOM 637 CE LYS A 47 -13.209 -0.928 4.752 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.420 -0.133 5.099 1.00 0.00 N ATOM 0 H LYS A 47 -8.453 0.705 2.262 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.612 -1.161 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.847 1.851 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.094 0.817 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.962 0.413 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.333 1.456 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.574 -0.448 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.195 -1.498 2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.435 -1.991 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.415 -0.710 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.722 -0.365 6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.198 0.881 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.186 -0.359 4.433 1.00 0.00 H new ATOM 652 N LYS A 48 -10.646 -0.141 -0.911 1.00 0.00 N ATOM 653 CA LYS A 48 -10.361 0.107 -2.320 1.00 0.00 C ATOM 654 C LYS A 48 -10.203 1.600 -2.589 1.00 0.00 C ATOM 655 O LYS A 48 -11.158 2.366 -2.472 1.00 0.00 O ATOM 656 CB LYS A 48 -11.478 -0.465 -3.195 1.00 0.00 C ATOM 657 CG LYS A 48 -11.401 -0.021 -4.646 1.00 0.00 C ATOM 658 CD LYS A 48 -12.360 -0.810 -5.522 1.00 0.00 C ATOM 659 CE LYS A 48 -12.318 -0.332 -6.965 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.268 0.789 -7.207 1.00 0.00 N ATOM 0 H LYS A 48 -11.562 -0.552 -0.732 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.423 -0.389 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.439 -1.554 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.441 -0.165 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.634 1.042 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.383 -0.149 -5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.105 -1.869 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.374 -0.711 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.306 -0.010 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.559 -1.162 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.209 1.086 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.237 0.475 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.023 1.591 -6.592 1.00 0.00 H new ATOM 674 N GLY A 49 -8.990 2.006 -2.951 1.00 0.00 N ATOM 675 CA GLY A 49 -8.729 3.406 -3.233 1.00 0.00 C ATOM 676 C GLY A 49 -8.008 4.101 -2.096 1.00 0.00 C ATOM 677 O GLY A 49 -8.101 5.319 -1.946 1.00 0.00 O ATOM 0 H GLY A 49 -8.183 1.391 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.131 3.485 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.672 3.916 -3.427 1.00 0.00 H new ATOM 681 N GLU A 50 -7.287 3.326 -1.291 1.00 0.00 N ATOM 682 CA GLU A 50 -6.549 3.876 -0.160 1.00 0.00 C ATOM 683 C GLU A 50 -5.053 3.617 -0.310 1.00 0.00 C ATOM 684 O GLU A 50 -4.636 2.522 -0.688 1.00 0.00 O ATOM 685 CB GLU A 50 -7.055 3.269 1.150 1.00 0.00 C ATOM 686 CG GLU A 50 -6.884 4.185 2.350 1.00 0.00 C ATOM 687 CD GLU A 50 -7.470 3.599 3.620 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.677 3.281 3.625 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.720 3.458 4.609 1.00 0.00 O ATOM 0 H GLU A 50 -7.199 2.316 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.713 4.953 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.110 3.019 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.524 2.336 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.823 4.384 2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.361 5.143 2.142 1.00 0.00 H new ATOM 696 N ARG A 51 -4.250 4.633 -0.010 1.00 0.00 N ATOM 697 CA ARG A 51 -2.800 4.516 -0.113 1.00 0.00 C ATOM 698 C ARG A 51 -2.192 4.107 1.225 1.00 0.00 C ATOM 699 O ARG A 51 -2.835 4.212 2.270 1.00 0.00 O ATOM 700 CB ARG A 51 -2.193 5.841 -0.577 1.00 0.00 C ATOM 701 CG ARG A 51 -2.525 6.192 -2.018 1.00 0.00 C ATOM 702 CD ARG A 51 -1.556 7.222 -2.578 1.00 0.00 C ATOM 703 NE ARG A 51 -1.987 7.727 -3.879 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.493 8.825 -4.441 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.557 9.528 -3.820 1.00 0.00 N ATOM 706 NH2 ARG A 51 -1.936 9.221 -5.628 1.00 0.00 N ATOM 0 H ARG A 51 -4.579 5.545 0.306 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.573 3.743 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.547 6.641 0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.110 5.794 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.493 5.290 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.542 6.580 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.466 8.053 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.566 6.775 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.706 7.209 -4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.214 9.227 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.180 10.370 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.656 8.682 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.556 10.064 -6.059 1.00 0.00 H new ATOM 720 N PHE A 52 -0.948 3.639 1.186 1.00 0.00 N ATOM 721 CA PHE A 52 -0.253 3.212 2.394 1.00 0.00 C ATOM 722 C PHE A 52 1.257 3.198 2.177 1.00 0.00 C ATOM 723 O PHE A 52 1.735 2.848 1.099 1.00 0.00 O ATOM 724 CB PHE A 52 -0.732 1.822 2.819 1.00 0.00 C ATOM 725 CG PHE A 52 -2.228 1.697 2.883 1.00 0.00 C ATOM 726 CD1 PHE A 52 -2.960 1.390 1.748 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.901 1.887 4.079 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.336 1.273 1.804 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.277 1.771 4.141 1.00 0.00 C ATOM 730 CZ PHE A 52 -4.995 1.465 3.002 1.00 0.00 C ATOM 0 H PHE A 52 -0.401 3.546 0.330 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.481 3.925 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.343 1.083 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.313 1.586 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.450 1.240 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.344 2.128 4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.895 1.032 0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.790 1.920 5.080 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.070 1.376 3.048 1.00 0.00 H new ATOM 740 N GLN A 53 2.001 3.582 3.210 1.00 0.00 N ATOM 741 CA GLN A 53 3.456 3.614 3.131 1.00 0.00 C ATOM 742 C GLN A 53 4.051 2.252 3.475 1.00 0.00 C ATOM 743 O GLN A 53 4.030 1.829 4.631 1.00 0.00 O ATOM 744 CB GLN A 53 4.015 4.680 4.075 1.00 0.00 C ATOM 745 CG GLN A 53 4.044 6.074 3.469 1.00 0.00 C ATOM 746 CD GLN A 53 4.206 7.161 4.514 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.473 7.202 5.502 1.00 0.00 O ATOM 748 NE2 GLN A 53 5.169 8.050 4.300 1.00 0.00 N ATOM 0 H GLN A 53 1.620 3.875 4.110 1.00 0.00 H new ATOM 0 HA GLN A 53 3.733 3.863 2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.413 4.700 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.026 4.399 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.864 6.138 2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.122 6.244 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.754 7.978 3.467 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.324 8.805 4.968 1.00 0.00 H new ATOM 757 N ILE A 54 4.579 1.571 2.464 1.00 0.00 N ATOM 758 CA ILE A 54 5.180 0.257 2.659 1.00 0.00 C ATOM 759 C ILE A 54 6.415 0.345 3.550 1.00 0.00 C ATOM 760 O ILE A 54 7.459 0.846 3.132 1.00 0.00 O ATOM 761 CB ILE A 54 5.573 -0.388 1.317 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.372 -0.417 0.370 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.112 -1.792 1.543 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.201 -1.213 0.903 1.00 0.00 C ATOM 0 H ILE A 54 4.603 1.907 1.501 1.00 0.00 H new ATOM 0 HA ILE A 54 4.428 -0.365 3.144 1.00 0.00 H new ATOM 0 HB ILE A 54 6.359 0.212 0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.048 0.605 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.683 -0.839 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.386 -2.235 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.991 -1.745 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.346 -2.403 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.386 -1.190 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.509 -2.245 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.863 -0.778 1.844 1.00 0.00 H new ATOM 776 N ILE A 55 6.289 -0.148 4.777 1.00 0.00 N ATOM 777 CA ILE A 55 7.395 -0.128 5.725 1.00 0.00 C ATOM 778 C ILE A 55 8.323 -1.319 5.512 1.00 0.00 C ATOM 779 O ILE A 55 9.537 -1.160 5.395 1.00 0.00 O ATOM 780 CB ILE A 55 6.891 -0.139 7.180 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.921 1.022 7.416 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.062 -0.062 8.148 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.932 0.766 8.531 1.00 0.00 C ATOM 0 H ILE A 55 5.432 -0.566 5.138 1.00 0.00 H new ATOM 0 HA ILE A 55 7.945 0.796 5.547 1.00 0.00 H new ATOM 0 HB ILE A 55 6.360 -1.074 7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.492 1.921 7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.374 1.221 6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.689 -0.071 9.172 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.719 -0.918 7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.619 0.858 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.277 1.630 8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.335 -0.114 8.293 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.471 0.597 9.463 1.00 0.00 H new ATOM 795 N ASN A 56 7.742 -2.513 5.462 1.00 0.00 N ATOM 796 CA ASN A 56 8.517 -3.732 5.261 1.00 0.00 C ATOM 797 C ASN A 56 7.922 -4.576 4.137 1.00 0.00 C ATOM 798 O ASN A 56 6.751 -4.950 4.181 1.00 0.00 O ATOM 799 CB ASN A 56 8.567 -4.548 6.554 1.00 0.00 C ATOM 800 CG ASN A 56 9.835 -5.371 6.670 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.488 -5.671 5.670 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.191 -5.741 7.895 1.00 0.00 N ATOM 0 H ASN A 56 6.738 -2.663 5.558 1.00 0.00 H new ATOM 0 HA ASN A 56 9.531 -3.446 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.495 -3.875 7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.702 -5.210 6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.035 -6.296 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.620 -5.470 8.696 1.00 0.00 H new ATOM 809 N ASN A 57 8.739 -4.871 3.131 1.00 0.00 N ATOM 810 CA ASN A 57 8.294 -5.671 1.995 1.00 0.00 C ATOM 811 C ASN A 57 9.123 -6.945 1.869 1.00 0.00 C ATOM 812 O ASN A 57 9.394 -7.417 0.764 1.00 0.00 O ATOM 813 CB ASN A 57 8.391 -4.857 0.703 1.00 0.00 C ATOM 814 CG ASN A 57 9.812 -4.425 0.397 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.114 -3.158 0.658 1.00 0.00 O flip ATOM 816 ND2 ASN A 57 10.628 -5.220 -0.069 1.00 0.00 N flip ATOM 0 H ASN A 57 9.712 -4.569 3.079 1.00 0.00 H new ATOM 0 HA ASN A 57 7.254 -5.950 2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.008 -5.451 -0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.756 -3.975 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.352 -6.184 -0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.580 -4.914 -0.270 1.00 0.00 H new ATOM 823 N THR A 58 9.524 -7.500 3.010 1.00 0.00 N ATOM 824 CA THR A 58 10.322 -8.719 3.028 1.00 0.00 C ATOM 825 C THR A 58 9.438 -9.956 2.923 1.00 0.00 C ATOM 826 O THR A 58 9.731 -10.876 2.160 1.00 0.00 O ATOM 827 CB THR A 58 11.171 -8.816 4.310 1.00 0.00 C ATOM 828 OG1 THR A 58 11.931 -10.029 4.303 1.00 0.00 O ATOM 829 CG2 THR A 58 10.288 -8.770 5.548 1.00 0.00 C ATOM 0 H THR A 58 9.308 -7.124 3.933 1.00 0.00 H new ATOM 0 HA THR A 58 10.985 -8.675 2.164 1.00 0.00 H new ATOM 0 HB THR A 58 11.850 -7.964 4.336 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.469 -10.083 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.909 -8.840 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.733 -7.832 5.565 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.588 -9.605 5.527 1.00 0.00 H new ATOM 837 N GLU A 59 8.354 -9.971 3.693 1.00 0.00 N ATOM 838 CA GLU A 59 7.428 -11.097 3.685 1.00 0.00 C ATOM 839 C GLU A 59 6.459 -10.996 2.510 1.00 0.00 C ATOM 840 O GLU A 59 5.451 -10.294 2.582 1.00 0.00 O ATOM 841 CB GLU A 59 6.648 -11.154 5.000 1.00 0.00 C ATOM 842 CG GLU A 59 7.529 -11.363 6.221 1.00 0.00 C ATOM 843 CD GLU A 59 6.816 -12.108 7.333 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.806 -11.584 7.846 1.00 0.00 O ATOM 845 OE2 GLU A 59 7.270 -13.216 7.690 1.00 0.00 O ATOM 0 H GLU A 59 8.096 -9.217 4.329 1.00 0.00 H new ATOM 0 HA GLU A 59 8.010 -12.012 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.088 -10.227 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.919 -11.962 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.421 -11.918 5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.863 -10.395 6.593 1.00 0.00 H new ATOM 852 N GLY A 60 6.772 -11.703 1.429 1.00 0.00 N ATOM 853 CA GLY A 60 5.921 -11.679 0.254 1.00 0.00 C ATOM 854 C GLY A 60 4.459 -11.896 0.593 1.00 0.00 C ATOM 855 O GLY A 60 3.584 -11.205 0.070 1.00 0.00 O ATOM 0 H GLY A 60 7.600 -12.292 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.035 -10.721 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.248 -12.450 -0.443 1.00 0.00 H new ATOM 859 N ASP A 61 4.193 -12.858 1.469 1.00 0.00 N ATOM 860 CA ASP A 61 2.827 -13.165 1.877 1.00 0.00 C ATOM 861 C ASP A 61 2.090 -11.899 2.302 1.00 0.00 C ATOM 862 O ASP A 61 1.076 -11.531 1.709 1.00 0.00 O ATOM 863 CB ASP A 61 2.829 -14.178 3.023 1.00 0.00 C ATOM 864 CG ASP A 61 3.758 -13.774 4.151 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.975 -13.641 3.900 1.00 0.00 O ATOM 866 OD2 ASP A 61 3.269 -13.589 5.285 1.00 0.00 O ATOM 0 H ASP A 61 4.905 -13.439 1.911 1.00 0.00 H new ATOM 0 HA ASP A 61 2.307 -13.597 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.816 -14.285 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.129 -15.154 2.641 1.00 0.00 H new ATOM 871 N TRP A 62 2.605 -11.238 3.333 1.00 0.00 N ATOM 872 CA TRP A 62 1.995 -10.014 3.838 1.00 0.00 C ATOM 873 C TRP A 62 3.028 -8.899 3.956 1.00 0.00 C ATOM 874 O TRP A 62 4.154 -9.128 4.396 1.00 0.00 O ATOM 875 CB TRP A 62 1.343 -10.268 5.198 1.00 0.00 C ATOM 876 CG TRP A 62 0.183 -11.214 5.134 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.238 -12.571 4.994 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.206 -10.872 5.204 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.032 -13.094 4.974 1.00 0.00 N ATOM 880 CE2 TRP A 62 -1.936 -12.073 5.102 1.00 0.00 C ATOM 881 CE3 TRP A 62 -1.904 -9.670 5.346 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.328 -12.102 5.135 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.285 -9.701 5.379 1.00 0.00 C ATOM 884 CH2 TRP A 62 -3.985 -10.910 5.275 1.00 0.00 C ATOM 0 H TRP A 62 3.444 -11.530 3.835 1.00 0.00 H new ATOM 0 HA TRP A 62 1.229 -9.700 3.129 1.00 0.00 H new ATOM 0 HB2 TRP A 62 2.091 -10.668 5.882 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.006 -9.319 5.614 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.147 -13.149 4.911 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.264 -14.083 4.879 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.373 -8.733 5.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.870 -13.033 5.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -3.834 -8.777 5.487 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.065 -10.901 5.306 1.00 0.00 H new ATOM 895 N TRP A 63 2.638 -7.693 3.559 1.00 0.00 N ATOM 896 CA TRP A 63 3.532 -6.542 3.621 1.00 0.00 C ATOM 897 C TRP A 63 3.076 -5.555 4.690 1.00 0.00 C ATOM 898 O TRP A 63 1.888 -5.256 4.804 1.00 0.00 O ATOM 899 CB TRP A 63 3.595 -5.846 2.261 1.00 0.00 C ATOM 900 CG TRP A 63 4.355 -6.624 1.230 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.185 -7.686 1.452 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.357 -6.400 -0.184 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.703 -8.135 0.261 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.210 -7.364 -0.758 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.720 -5.481 -1.022 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.440 -7.431 -2.129 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.950 -5.549 -2.383 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.803 -6.519 -2.926 1.00 0.00 C ATOM 0 H TRP A 63 1.709 -7.487 3.191 1.00 0.00 H new ATOM 0 HA TRP A 63 4.527 -6.900 3.885 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.580 -5.675 1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.060 -4.868 2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.402 -8.110 2.421 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.350 -8.916 0.153 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.059 -4.731 -0.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.098 -8.177 -2.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.464 -4.842 -3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.961 -6.547 -3.994 1.00 0.00 H new ATOM 919 N GLU A 64 4.027 -5.053 5.471 1.00 0.00 N ATOM 920 CA GLU A 64 3.721 -4.101 6.531 1.00 0.00 C ATOM 921 C GLU A 64 3.742 -2.670 6.000 1.00 0.00 C ATOM 922 O GLU A 64 4.739 -2.220 5.438 1.00 0.00 O ATOM 923 CB GLU A 64 4.721 -4.244 7.681 1.00 0.00 C ATOM 924 CG GLU A 64 4.440 -3.315 8.851 1.00 0.00 C ATOM 925 CD GLU A 64 5.180 -3.724 10.110 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.413 -3.906 10.041 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.524 -3.861 11.164 1.00 0.00 O ATOM 0 H GLU A 64 5.016 -5.290 5.389 1.00 0.00 H new ATOM 0 HA GLU A 64 2.719 -4.319 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.709 -5.275 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.725 -4.048 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.725 -2.299 8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.369 -3.303 9.051 1.00 0.00 H new ATOM 934 N ALA A 65 2.632 -1.961 6.182 1.00 0.00 N ATOM 935 CA ALA A 65 2.523 -0.582 5.723 1.00 0.00 C ATOM 936 C ALA A 65 1.738 0.267 6.718 1.00 0.00 C ATOM 937 O ALA A 65 0.983 -0.258 7.536 1.00 0.00 O ATOM 938 CB ALA A 65 1.866 -0.534 4.351 1.00 0.00 C ATOM 0 H ALA A 65 1.796 -2.319 6.644 1.00 0.00 H new ATOM 0 HA ALA A 65 3.529 -0.169 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.791 0.502 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.468 -1.100 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.869 -0.970 4.410 1.00 0.00 H new ATOM 944 N ARG A 66 1.923 1.581 6.642 1.00 0.00 N ATOM 945 CA ARG A 66 1.233 2.502 7.537 1.00 0.00 C ATOM 946 C ARG A 66 0.404 3.509 6.747 1.00 0.00 C ATOM 947 O ARG A 66 0.945 4.429 6.132 1.00 0.00 O ATOM 948 CB ARG A 66 2.242 3.238 8.421 1.00 0.00 C ATOM 949 CG ARG A 66 1.620 4.332 9.274 1.00 0.00 C ATOM 950 CD ARG A 66 2.678 5.268 9.837 1.00 0.00 C ATOM 951 NE ARG A 66 3.278 4.743 11.060 1.00 0.00 N ATOM 952 CZ ARG A 66 4.195 5.394 11.767 1.00 0.00 C ATOM 953 NH1 ARG A 66 4.615 6.589 11.375 1.00 0.00 N ATOM 954 NH2 ARG A 66 4.694 4.850 12.870 1.00 0.00 N ATOM 0 H ARG A 66 2.545 2.031 5.970 1.00 0.00 H new ATOM 0 HA ARG A 66 0.561 1.921 8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.735 2.517 9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.014 3.677 7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.910 4.902 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.058 3.882 10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.456 5.426 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.230 6.240 10.041 1.00 0.00 H new ATOM 0 HE ARG A 66 2.977 3.826 11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.234 7.011 10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.319 7.086 11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.373 3.931 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.398 5.351 13.412 1.00 0.00 H new ATOM 968 N SER A 67 -0.913 3.329 6.767 1.00 0.00 N ATOM 969 CA SER A 67 -1.818 4.220 6.049 1.00 0.00 C ATOM 970 C SER A 67 -1.464 5.680 6.312 1.00 0.00 C ATOM 971 O SER A 67 -1.065 6.044 7.419 1.00 0.00 O ATOM 972 CB SER A 67 -3.266 3.951 6.462 1.00 0.00 C ATOM 973 OG SER A 67 -3.439 2.604 6.868 1.00 0.00 O ATOM 0 H SER A 67 -1.377 2.574 7.272 1.00 0.00 H new ATOM 0 HA SER A 67 -1.710 4.025 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.545 4.618 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.932 4.171 5.628 1.00 0.00 H new ATOM 0 HG SER A 67 -3.452 2.023 6.079 1.00 0.00 H new ATOM 979 N ILE A 68 -1.614 6.513 5.287 1.00 0.00 N ATOM 980 CA ILE A 68 -1.312 7.933 5.407 1.00 0.00 C ATOM 981 C ILE A 68 -2.574 8.741 5.692 1.00 0.00 C ATOM 982 O ILE A 68 -2.542 9.719 6.439 1.00 0.00 O ATOM 983 CB ILE A 68 -0.646 8.477 4.130 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.318 7.440 3.550 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.085 9.779 4.426 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.718 7.720 2.119 1.00 0.00 C ATOM 0 H ILE A 68 -1.943 6.228 4.364 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.619 8.039 6.242 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.422 8.678 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.215 7.404 4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.146 6.455 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.550 10.151 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.624 10.518 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.853 9.602 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.402 6.945 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.170 7.727 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.211 8.690 2.062 1.00 0.00 H new ATOM 998 N ALA A 69 -3.685 8.325 5.092 1.00 0.00 N ATOM 999 CA ALA A 69 -4.958 9.007 5.284 1.00 0.00 C ATOM 1000 C ALA A 69 -5.542 8.704 6.660 1.00 0.00 C ATOM 1001 O ALA A 69 -5.803 9.612 7.450 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.940 8.608 4.193 1.00 0.00 C ATOM 0 H ALA A 69 -3.728 7.519 4.469 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.779 10.080 5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.887 9.125 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.533 8.882 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.105 7.531 4.228 1.00 0.00 H new ATOM 1008 N THR A 70 -5.744 7.420 6.942 1.00 0.00 N ATOM 1009 CA THR A 70 -6.299 6.997 8.222 1.00 0.00 C ATOM 1010 C THR A 70 -5.235 7.011 9.313 1.00 0.00 C ATOM 1011 O THR A 70 -5.508 7.379 10.455 1.00 0.00 O ATOM 1012 CB THR A 70 -6.907 5.585 8.131 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.943 4.669 7.600 1.00 0.00 O ATOM 1014 CG2 THR A 70 -8.150 5.586 7.254 1.00 0.00 C ATOM 0 H THR A 70 -5.531 6.655 6.301 1.00 0.00 H new ATOM 0 HA THR A 70 -7.086 7.707 8.476 1.00 0.00 H new ATOM 0 HB THR A 70 -7.191 5.271 9.135 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.255 4.330 6.735 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.561 4.578 7.205 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.894 6.261 7.677 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.887 5.920 6.250 1.00 0.00 H new ATOM 1022 N GLY A 71 -4.020 6.607 8.954 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.933 6.581 9.916 1.00 0.00 C ATOM 1024 C GLY A 71 -2.796 5.236 10.601 1.00 0.00 C ATOM 1025 O GLY A 71 -2.203 5.135 11.675 1.00 0.00 O ATOM 0 H GLY A 71 -3.769 6.297 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.999 6.824 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.099 7.353 10.668 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.348 4.199 9.980 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.286 2.852 10.536 1.00 0.00 C ATOM 1031 C LYS A 72 -1.960 2.182 10.191 1.00 0.00 C ATOM 1032 O LYS A 72 -1.178 2.704 9.396 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.449 2.008 10.010 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.804 2.441 10.541 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.847 1.350 10.365 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.225 1.935 10.096 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.481 2.103 8.639 1.00 0.00 N ATOM 0 H LYS A 72 -3.844 4.265 9.091 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.362 2.929 11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.461 2.060 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.280 0.965 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.717 2.696 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.128 3.343 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.559 0.700 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.882 0.731 11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.986 1.284 10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.313 2.901 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.474 2.375 8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.858 2.845 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.290 1.207 8.147 1.00 0.00 H new ATOM 1051 N SER A 73 -1.715 1.022 10.792 1.00 0.00 N ATOM 1052 CA SER A 73 -0.482 0.281 10.550 1.00 0.00 C ATOM 1053 C SER A 73 -0.668 -1.200 10.866 1.00 0.00 C ATOM 1054 O SER A 73 -1.179 -1.561 11.925 1.00 0.00 O ATOM 1055 CB SER A 73 0.657 0.856 11.393 1.00 0.00 C ATOM 1056 OG SER A 73 0.231 1.110 12.721 1.00 0.00 O ATOM 0 H SER A 73 -2.354 0.575 11.450 1.00 0.00 H new ATOM 0 HA SER A 73 -0.228 0.380 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.494 0.158 11.404 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.018 1.780 10.941 1.00 0.00 H new ATOM 0 HG SER A 73 -0.322 0.365 13.035 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.247 -2.054 9.938 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.375 -3.486 10.135 1.00 0.00 C ATOM 1064 C GLY A 74 0.231 -4.284 8.998 1.00 0.00 C ATOM 1065 O GLY A 74 1.354 -4.014 8.571 1.00 0.00 O ATOM 0 H GLY A 74 0.180 -1.780 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.110 -3.766 11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.430 -3.743 10.234 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.511 -5.271 8.509 1.00 0.00 N ATOM 1070 CA TYR A 75 -0.038 -6.115 7.418 1.00 0.00 C ATOM 1071 C TYR A 75 -1.109 -6.266 6.342 1.00 0.00 C ATOM 1072 O TYR A 75 -2.211 -6.745 6.611 1.00 0.00 O ATOM 1073 CB TYR A 75 0.367 -7.491 7.947 1.00 0.00 C ATOM 1074 CG TYR A 75 1.379 -7.435 9.070 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.592 -6.779 8.905 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.122 -8.039 10.294 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.520 -6.725 9.927 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.043 -7.989 11.323 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.240 -7.331 11.134 1.00 0.00 C ATOM 1080 OH TYR A 75 4.161 -7.281 12.155 1.00 0.00 O ATOM 0 H TYR A 75 -1.443 -5.507 8.851 1.00 0.00 H new ATOM 0 HA TYR A 75 0.833 -5.634 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.524 -8.013 8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.779 -8.079 7.127 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.814 -6.303 7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.186 -8.557 10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.459 -6.211 9.782 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.827 -8.462 12.269 1.00 0.00 H new ATOM 0 HH TYR A 75 3.809 -7.755 12.937 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.776 -5.854 5.123 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.708 -5.945 4.006 1.00 0.00 C ATOM 1092 C ILE A 76 -1.201 -6.915 2.945 1.00 0.00 C ATOM 1093 O ILE A 76 -0.008 -6.981 2.647 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.944 -4.568 3.356 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.628 -4.002 2.818 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.569 -3.610 4.359 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.800 -2.728 2.022 1.00 0.00 C ATOM 0 H ILE A 76 0.132 -5.454 4.884 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.651 -6.313 4.411 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.634 -4.689 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.045 -3.811 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.149 -4.752 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.730 -2.641 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.524 -4.011 4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.902 -3.490 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.173 -2.384 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.447 -2.918 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.250 -1.962 2.654 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.128 -7.687 2.357 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.799 -8.666 1.318 1.00 0.00 C ATOM 1111 C PRO A 77 -1.379 -8.005 0.010 1.00 0.00 C ATOM 1112 O PRO A 77 -2.165 -7.296 -0.619 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.108 -9.438 1.131 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.172 -8.489 1.562 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.568 -7.662 2.662 1.00 0.00 C ATOM 0 HA PRO A 77 -0.955 -9.294 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.244 -9.741 0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.121 -10.347 1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.493 -7.860 0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.053 -9.025 1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.961 -6.645 2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.778 -8.085 3.644 1.00 0.00 H new ATOM 1123 N SER A 78 -0.136 -8.241 -0.396 1.00 0.00 N ATOM 1124 CA SER A 78 0.389 -7.665 -1.628 1.00 0.00 C ATOM 1125 C SER A 78 -0.420 -8.132 -2.834 1.00 0.00 C ATOM 1126 O SER A 78 -0.249 -7.628 -3.943 1.00 0.00 O ATOM 1127 CB SER A 78 1.860 -8.047 -1.808 1.00 0.00 C ATOM 1128 OG SER A 78 2.002 -9.439 -2.031 1.00 0.00 O ATOM 0 H SER A 78 0.527 -8.828 0.111 1.00 0.00 H new ATOM 0 HA SER A 78 0.308 -6.580 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.282 -7.496 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.425 -7.758 -0.922 1.00 0.00 H new ATOM 0 HG SER A 78 2.514 -9.837 -1.296 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.302 -9.101 -2.608 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.138 -9.637 -3.675 1.00 0.00 C ATOM 1136 C ASN A 79 -3.364 -8.757 -3.901 1.00 0.00 C ATOM 1137 O ASN A 79 -4.155 -8.998 -4.813 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.577 -11.064 -3.339 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.473 -12.078 -3.570 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.743 -12.439 -2.647 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.346 -12.542 -4.808 1.00 0.00 N ATOM 0 H ASN A 79 -1.456 -9.530 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.548 -9.651 -4.592 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.895 -11.108 -2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.442 -11.328 -3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.621 -13.226 -5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.974 -12.215 -5.542 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.514 -7.736 -3.065 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.643 -6.820 -3.171 1.00 0.00 C ATOM 1150 C TYR A 80 -4.167 -5.397 -3.444 1.00 0.00 C ATOM 1151 O TYR A 80 -4.859 -4.610 -4.090 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.477 -6.854 -1.889 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.574 -7.894 -1.908 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.342 -9.168 -2.410 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.842 -7.603 -1.421 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.341 -10.122 -2.430 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.847 -8.551 -1.434 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.592 -9.809 -1.940 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.590 -10.756 -1.956 1.00 0.00 O ATOM 0 H TYR A 80 -2.867 -7.522 -2.306 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.262 -7.143 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.819 -7.048 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.922 -5.872 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.363 -9.417 -2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.046 -6.619 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.144 -11.107 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.827 -8.309 -1.050 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.408 -10.375 -1.574 1.00 0.00 H new ATOM 1169 N VAL A 81 -2.977 -5.072 -2.947 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.405 -3.745 -3.137 1.00 0.00 C ATOM 1171 C VAL A 81 -1.336 -3.758 -4.224 1.00 0.00 C ATOM 1172 O VAL A 81 -0.610 -4.739 -4.384 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.788 -3.207 -1.832 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -2.854 -3.069 -0.755 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.660 -4.113 -1.364 1.00 0.00 C ATOM 0 H VAL A 81 -2.391 -5.711 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.221 -3.089 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.372 -2.218 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.400 -2.688 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.625 -2.377 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.302 -4.043 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.235 -3.718 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.049 -5.115 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.114 -4.156 -2.130 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.245 -2.661 -4.970 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.263 -2.545 -6.041 1.00 0.00 C ATOM 1187 C VAL A 82 0.359 -1.153 -6.068 1.00 0.00 C ATOM 1188 O VAL A 82 -0.247 -0.167 -5.650 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.895 -2.839 -7.415 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -1.913 -3.964 -7.305 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.535 -1.583 -7.987 1.00 0.00 C ATOM 0 H VAL A 82 -1.839 -1.841 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 82 0.514 -3.283 -5.840 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.107 -3.160 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.349 -4.157 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.420 -4.866 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.700 -3.676 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.976 -1.809 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.312 -1.229 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.776 -0.809 -8.105 1.00 0.00 H new ATOM 1201 N PRO A 83 1.599 -1.070 -6.573 1.00 0.00 N ATOM 1202 CA PRO A 83 2.331 0.197 -6.667 1.00 0.00 C ATOM 1203 C PRO A 83 1.737 1.133 -7.714 1.00 0.00 C ATOM 1204 O PRO A 83 1.440 0.719 -8.834 1.00 0.00 O ATOM 1205 CB PRO A 83 3.740 -0.238 -7.078 1.00 0.00 C ATOM 1206 CG PRO A 83 3.548 -1.543 -7.771 1.00 0.00 C ATOM 1207 CD PRO A 83 2.382 -2.205 -7.090 1.00 0.00 C ATOM 0 HA PRO A 83 2.298 0.757 -5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.204 0.496 -7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.391 -0.343 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.348 -1.396 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.444 -2.159 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.801 -2.810 -7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.708 -2.867 -6.288 1.00 0.00 H new ATOM 1215 N ALA A 84 1.566 2.397 -7.341 1.00 0.00 N ATOM 1216 CA ALA A 84 1.009 3.393 -8.248 1.00 0.00 C ATOM 1217 C ALA A 84 1.921 3.610 -9.451 1.00 0.00 C ATOM 1218 O ALA A 84 1.576 4.341 -10.380 1.00 0.00 O ATOM 1219 CB ALA A 84 0.778 4.705 -7.515 1.00 0.00 C ATOM 0 H ALA A 84 1.805 2.756 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 84 0.052 3.021 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.362 5.439 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.081 4.544 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.725 5.073 -7.121 1.00 0.00 H new ATOM 1225 N ASP A 85 3.086 2.973 -9.427 1.00 0.00 N ATOM 1226 CA ASP A 85 4.049 3.097 -10.515 1.00 0.00 C ATOM 1227 C ASP A 85 3.905 1.942 -11.502 1.00 0.00 C ATOM 1228 O ASP A 85 3.965 2.138 -12.715 1.00 0.00 O ATOM 1229 CB ASP A 85 5.474 3.137 -9.963 1.00 0.00 C ATOM 1230 CG ASP A 85 6.479 3.623 -10.988 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.555 3.018 -12.079 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.190 4.609 -10.701 1.00 0.00 O ATOM 0 H ASP A 85 3.387 2.365 -8.665 1.00 0.00 H new ATOM 0 HA ASP A 85 3.846 4.030 -11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.504 3.790 -9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.758 2.140 -9.625 1.00 0.00 H new ATOM 1237 N SER A 86 3.716 0.738 -10.971 1.00 0.00 N ATOM 1238 CA SER A 86 3.568 -0.450 -11.805 1.00 0.00 C ATOM 1239 C SER A 86 2.125 -0.946 -11.793 1.00 0.00 C ATOM 1240 O SER A 86 1.859 -2.119 -12.057 1.00 0.00 O ATOM 1241 CB SER A 86 4.504 -1.558 -11.320 1.00 0.00 C ATOM 1242 OG SER A 86 5.751 -1.503 -11.991 1.00 0.00 O ATOM 0 H SER A 86 3.662 0.559 -9.968 1.00 0.00 H new ATOM 0 HA SER A 86 3.833 -0.182 -12.828 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.661 -1.461 -10.246 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.040 -2.530 -11.488 1.00 0.00 H new ATOM 0 HG SER A 86 6.332 -2.221 -11.662 1.00 0.00 H new ATOM 1248 N ILE A 87 1.199 -0.044 -11.486 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.217 -0.389 -11.441 1.00 0.00 C ATOM 1250 C ILE A 87 -0.558 -1.446 -12.486 1.00 0.00 C ATOM 1251 O ILE A 87 -0.666 -1.145 -13.675 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.105 0.848 -11.670 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.431 2.099 -11.101 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.473 0.642 -11.036 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.400 3.217 -10.785 1.00 0.00 C ATOM 0 H ILE A 87 1.403 0.931 -11.265 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.414 -0.788 -10.446 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.240 0.987 -12.743 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.109 1.830 -10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.308 2.461 -11.816 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.089 1.525 -11.206 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.954 -0.228 -11.483 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.357 0.482 -9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.853 4.071 -10.386 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.922 3.514 -11.695 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.124 2.873 -10.047 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.729 -2.684 -12.034 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.060 -3.785 -12.930 1.00 0.00 C ATOM 1269 C GLN A 88 -2.536 -3.750 -13.313 1.00 0.00 C ATOM 1270 O GLN A 88 -2.933 -4.294 -14.344 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.724 -5.125 -12.272 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.365 -5.310 -10.906 1.00 0.00 C ATOM 1273 CD GLN A 88 -1.412 -6.763 -10.475 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -2.481 -7.369 -10.412 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -0.249 -7.330 -10.177 1.00 0.00 N ATOM 0 H GLN A 88 -0.644 -2.949 -11.053 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.465 -3.674 -13.836 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.047 -5.933 -12.928 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.358 -5.209 -12.171 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.809 -4.734 -10.167 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.378 -4.908 -10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.614 -6.790 -10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.218 -8.306 -9.882 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.345 -3.108 -12.477 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.776 -3.001 -12.729 1.00 0.00 C ATOM 1286 C ALA A 89 -5.200 -1.544 -12.879 1.00 0.00 C ATOM 1287 O ALA A 89 -6.343 -1.188 -12.593 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.561 -3.668 -11.609 1.00 0.00 C ATOM 0 H ALA A 89 -3.033 -2.654 -11.619 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.994 -3.514 -13.666 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.629 -3.580 -11.811 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.288 -4.722 -11.551 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.329 -3.180 -10.662 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.271 -0.705 -13.328 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.549 0.714 -13.514 1.00 0.00 C ATOM 1296 C GLU A 90 -5.982 0.929 -13.992 1.00 0.00 C ATOM 1297 O GLU A 90 -6.593 1.960 -13.710 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.568 1.322 -14.518 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.234 0.399 -15.678 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.819 0.590 -16.187 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.354 1.748 -16.229 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.175 -0.420 -16.543 1.00 0.00 O ATOM 0 H GLU A 90 -3.320 -0.984 -13.569 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.427 1.211 -12.552 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.990 2.247 -14.911 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.647 1.587 -13.999 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.366 -0.636 -15.363 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.936 0.577 -16.493 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.511 -0.051 -14.718 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.872 0.032 -15.237 1.00 0.00 C ATOM 1311 C GLU A 91 -8.807 0.668 -14.212 1.00 0.00 C ATOM 1312 O GLU A 91 -9.764 1.353 -14.571 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.383 -1.360 -15.615 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.662 -1.970 -16.806 1.00 0.00 C ATOM 1315 CD GLU A 91 -7.852 -3.471 -16.896 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -8.855 -3.908 -17.497 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -6.996 -4.210 -16.364 1.00 0.00 O ATOM 0 H GLU A 91 -6.019 -0.911 -14.960 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.856 0.660 -16.128 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.275 -2.023 -14.757 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.448 -1.299 -15.838 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.026 -1.506 -17.723 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.598 -1.746 -16.736 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.522 0.436 -12.936 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.337 0.986 -11.859 1.00 0.00 C ATOM 1326 C TRP A 92 -9.307 2.510 -11.876 1.00 0.00 C ATOM 1327 O TRP A 92 -10.341 3.162 -11.731 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.846 0.469 -10.505 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.475 0.955 -10.146 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.315 0.236 -10.181 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.122 2.267 -9.694 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.262 1.021 -9.779 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.731 2.272 -9.476 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.845 3.439 -9.456 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.052 3.403 -9.029 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.170 4.560 -9.012 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.785 4.536 -8.803 1.00 0.00 C ATOM 0 H TRP A 92 -7.733 -0.129 -12.622 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.366 0.660 -12.014 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.548 0.778 -9.730 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.845 -0.621 -10.519 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.237 -0.799 -10.481 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.289 0.721 -9.716 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.913 3.468 -9.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.984 3.386 -8.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.720 5.470 -8.823 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.286 5.429 -8.457 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.116 3.072 -12.054 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.952 4.520 -12.089 1.00 0.00 C ATOM 1350 C TYR A 93 -8.280 5.073 -13.472 1.00 0.00 C ATOM 1351 O TYR A 93 -8.758 6.199 -13.606 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.523 4.901 -11.700 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.596 5.064 -12.884 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.809 6.064 -13.825 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.508 4.218 -13.061 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.965 6.216 -14.909 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.659 4.364 -14.141 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.892 5.363 -15.062 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.049 5.512 -16.140 1.00 0.00 O ATOM 0 H TYR A 93 -7.250 2.546 -12.176 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.646 4.956 -11.371 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.545 5.833 -11.136 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.120 4.136 -11.036 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.648 6.734 -13.707 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.323 3.433 -12.342 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.145 6.998 -15.632 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.817 3.699 -14.263 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.484 5.164 -16.946 1.00 0.00 H new ATOM 1369 N PHE A 94 -8.019 4.271 -14.500 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.286 4.679 -15.874 1.00 0.00 C ATOM 1371 C PHE A 94 -9.771 4.961 -16.080 1.00 0.00 C ATOM 1372 O PHE A 94 -10.147 5.990 -16.639 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.821 3.595 -16.849 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.405 3.774 -17.315 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -6.080 4.776 -18.216 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.398 2.942 -16.853 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.777 4.944 -18.647 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.094 3.106 -17.280 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.783 4.107 -18.179 1.00 0.00 C ATOM 0 H PHE A 94 -7.623 3.336 -14.407 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.730 5.596 -16.068 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.916 2.621 -16.369 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.482 3.590 -17.716 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.853 5.433 -18.586 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.635 2.156 -16.151 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.537 5.729 -19.349 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.318 2.451 -16.911 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.765 4.235 -18.515 1.00 0.00 H new