USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 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 67 SER OG : rot -160:sc= 1.33 USER MOD Set 1.2: A 70 THR OG1 : rot -160:sc= 0.36 USER MOD Single : A 28 THR OG1 : rot 30:sc= 0.269 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 108:sc= 0.179 USER MOD Single : A 40 THR OG1 : rot -56:sc= 0.197 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -2.1! 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= -0.162 K(o=-0.16,f=-0.89) USER MOD Single : A 56 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.5) USER MOD Single : A 57 ASN : amide:sc= -13.5! C(o=-13!,f=-19!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.322 F(o=-0.83,f=-0.32) 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=-0.000351 X(o=-0.00035,f=0) USER MOD Single : A 93 TYR OH : rot -140:sc= -0.771! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.863 2.961 -0.931 1.00 0.00 N ATOM 325 CA THR A 28 7.139 2.815 -2.188 1.00 0.00 C ATOM 326 C THR A 28 5.640 3.004 -1.984 1.00 0.00 C ATOM 327 O THR A 28 5.046 2.406 -1.086 1.00 0.00 O ATOM 328 CB THR A 28 7.389 1.434 -2.822 1.00 0.00 C ATOM 329 OG1 THR A 28 8.786 1.122 -2.782 1.00 0.00 O ATOM 330 CG2 THR A 28 6.900 1.403 -4.262 1.00 0.00 C ATOM 0 HA THR A 28 7.512 3.588 -2.860 1.00 0.00 H new ATOM 0 HB THR A 28 6.834 0.691 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.195 1.550 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.087 0.418 -4.689 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.831 1.612 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.431 2.157 -4.843 1.00 0.00 H new ATOM 338 N ILE A 29 5.034 3.837 -2.823 1.00 0.00 N ATOM 339 CA ILE A 29 3.604 4.103 -2.736 1.00 0.00 C ATOM 340 C ILE A 29 2.793 2.929 -3.275 1.00 0.00 C ATOM 341 O ILE A 29 3.139 2.341 -4.300 1.00 0.00 O ATOM 342 CB ILE A 29 3.219 5.377 -3.510 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.630 6.623 -2.722 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.725 5.393 -3.796 1.00 0.00 C ATOM 345 CD1 ILE A 29 3.003 6.701 -1.347 1.00 0.00 C ATOM 0 H ILE A 29 5.512 4.340 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 29 3.374 4.247 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 29 3.751 5.380 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.715 6.637 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.352 7.511 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.469 6.300 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.460 4.521 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.174 5.369 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.338 7.609 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.917 6.719 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.301 5.832 -0.761 1.00 0.00 H new ATOM 357 N PHE A 30 1.711 2.595 -2.580 1.00 0.00 N ATOM 358 CA PHE A 30 0.849 1.492 -2.989 1.00 0.00 C ATOM 359 C PHE A 30 -0.621 1.847 -2.787 1.00 0.00 C ATOM 360 O PHE A 30 -0.977 2.552 -1.843 1.00 0.00 O ATOM 361 CB PHE A 30 1.194 0.228 -2.199 1.00 0.00 C ATOM 362 CG PHE A 30 2.301 -0.579 -2.813 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.608 -0.118 -2.791 1.00 0.00 C ATOM 364 CD2 PHE A 30 2.037 -1.800 -3.412 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.628 -0.858 -3.356 1.00 0.00 C ATOM 366 CE2 PHE A 30 3.054 -2.546 -3.979 1.00 0.00 C ATOM 367 CZ PHE A 30 4.351 -2.074 -3.950 1.00 0.00 C ATOM 0 H PHE A 30 1.410 3.073 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 30 1.017 1.306 -4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.479 0.509 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.303 -0.395 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.831 0.831 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.024 -2.174 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.642 -0.486 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.834 -3.496 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.148 -2.655 -4.391 1.00 0.00 H new ATOM 377 N VAL A 31 -1.471 1.354 -3.682 1.00 0.00 N ATOM 378 CA VAL A 31 -2.903 1.617 -3.603 1.00 0.00 C ATOM 379 C VAL A 31 -3.695 0.320 -3.490 1.00 0.00 C ATOM 380 O VAL A 31 -3.306 -0.707 -4.044 1.00 0.00 O ATOM 381 CB VAL A 31 -3.397 2.402 -4.832 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.890 2.190 -5.037 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.076 3.882 -4.684 1.00 0.00 C ATOM 0 H VAL A 31 -1.193 0.770 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.066 2.217 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.877 2.027 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.221 2.753 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.089 1.130 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.431 2.536 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.432 4.421 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.567 4.274 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.998 4.013 -4.591 1.00 0.00 H new ATOM 393 N ALA A 32 -4.809 0.374 -2.768 1.00 0.00 N ATOM 394 CA ALA A 32 -5.658 -0.796 -2.584 1.00 0.00 C ATOM 395 C ALA A 32 -6.728 -0.874 -3.668 1.00 0.00 C ATOM 396 O ALA A 32 -7.613 -0.020 -3.744 1.00 0.00 O ATOM 397 CB ALA A 32 -6.302 -0.769 -1.205 1.00 0.00 C ATOM 0 H ALA A 32 -5.145 1.216 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.032 -1.685 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.933 -1.649 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.525 -0.769 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.909 0.131 -1.105 1.00 0.00 H new ATOM 403 N LEU A 33 -6.642 -1.902 -4.504 1.00 0.00 N ATOM 404 CA LEU A 33 -7.603 -2.092 -5.585 1.00 0.00 C ATOM 405 C LEU A 33 -8.896 -2.708 -5.063 1.00 0.00 C ATOM 406 O LEU A 33 -9.986 -2.382 -5.534 1.00 0.00 O ATOM 407 CB LEU A 33 -7.004 -2.983 -6.676 1.00 0.00 C ATOM 408 CG LEU A 33 -5.542 -2.713 -7.035 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.059 -3.704 -8.082 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.370 -1.285 -7.531 1.00 0.00 C ATOM 0 H LEU A 33 -5.917 -2.617 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.834 -1.114 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.094 -4.022 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.605 -2.872 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.937 -2.840 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.017 -3.497 -8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.146 -4.718 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.668 -3.609 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.324 -1.110 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.986 -1.131 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.677 -0.589 -6.750 1.00 0.00 H new ATOM 422 N TYR A 34 -8.768 -3.599 -4.085 1.00 0.00 N ATOM 423 CA TYR A 34 -9.927 -4.261 -3.498 1.00 0.00 C ATOM 424 C TYR A 34 -10.092 -3.872 -2.032 1.00 0.00 C ATOM 425 O TYR A 34 -9.131 -3.475 -1.372 1.00 0.00 O ATOM 426 CB TYR A 34 -9.790 -5.779 -3.622 1.00 0.00 C ATOM 427 CG TYR A 34 -9.064 -6.221 -4.873 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.740 -6.362 -6.079 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.703 -6.500 -4.848 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.081 -6.767 -7.224 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.036 -6.903 -5.989 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.729 -7.035 -7.174 1.00 0.00 C ATOM 433 OH TYR A 34 -7.069 -7.439 -8.311 1.00 0.00 O ATOM 0 H TYR A 34 -7.874 -3.879 -3.683 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.814 -3.937 -4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.259 -6.160 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.784 -6.227 -3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.798 -6.151 -6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.157 -6.400 -3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.622 -6.873 -8.153 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.977 -7.114 -5.953 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.122 -7.585 -8.105 1.00 0.00 H new ATOM 443 N ASP A 35 -11.316 -3.989 -1.530 1.00 0.00 N ATOM 444 CA ASP A 35 -11.608 -3.652 -0.141 1.00 0.00 C ATOM 445 C ASP A 35 -11.366 -4.850 0.771 1.00 0.00 C ATOM 446 O ASP A 35 -11.926 -5.927 0.562 1.00 0.00 O ATOM 447 CB ASP A 35 -13.055 -3.176 -0.004 1.00 0.00 C ATOM 448 CG ASP A 35 -14.011 -3.969 -0.873 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.106 -5.200 -0.680 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.666 -3.360 -1.744 1.00 0.00 O ATOM 0 H ASP A 35 -12.122 -4.314 -2.064 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.938 -2.847 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.364 -3.257 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.114 -2.121 -0.273 1.00 0.00 H new ATOM 455 N TYR A 36 -10.527 -4.656 1.783 1.00 0.00 N ATOM 456 CA TYR A 36 -10.207 -5.722 2.725 1.00 0.00 C ATOM 457 C TYR A 36 -10.479 -5.280 4.160 1.00 0.00 C ATOM 458 O TYR A 36 -10.712 -4.100 4.423 1.00 0.00 O ATOM 459 CB TYR A 36 -8.743 -6.139 2.577 1.00 0.00 C ATOM 460 CG TYR A 36 -8.298 -7.161 3.600 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.625 -8.504 3.457 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.552 -6.783 4.710 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.222 -9.440 4.389 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.143 -7.713 5.646 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.481 -9.040 5.481 1.00 0.00 C ATOM 466 OH TYR A 36 -7.077 -9.969 6.412 1.00 0.00 O ATOM 0 H TYR A 36 -10.057 -3.771 1.972 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.846 -6.576 2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.589 -6.547 1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.112 -5.254 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.204 -8.821 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.288 -5.744 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.486 -10.480 4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.562 -7.403 6.502 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.112 -10.116 6.329 1.00 0.00 H new ATOM 476 N GLU A 37 -10.446 -6.235 5.083 1.00 0.00 N ATOM 477 CA GLU A 37 -10.689 -5.945 6.491 1.00 0.00 C ATOM 478 C GLU A 37 -9.709 -6.706 7.381 1.00 0.00 C ATOM 479 O GLU A 37 -9.658 -7.935 7.356 1.00 0.00 O ATOM 480 CB GLU A 37 -12.126 -6.309 6.869 1.00 0.00 C ATOM 481 CG GLU A 37 -12.518 -5.867 8.269 1.00 0.00 C ATOM 482 CD GLU A 37 -14.019 -5.879 8.486 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.740 -5.269 7.669 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.471 -6.496 9.473 1.00 0.00 O ATOM 0 H GLU A 37 -10.253 -7.216 4.881 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.539 -4.877 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.808 -5.855 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.251 -7.389 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.044 -6.523 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.137 -4.862 8.449 1.00 0.00 H new ATOM 491 N ALA A 38 -8.933 -5.965 8.165 1.00 0.00 N ATOM 492 CA ALA A 38 -7.956 -6.568 9.063 1.00 0.00 C ATOM 493 C ALA A 38 -8.599 -7.645 9.929 1.00 0.00 C ATOM 494 O ALA A 38 -9.398 -7.346 10.818 1.00 0.00 O ATOM 495 CB ALA A 38 -7.312 -5.501 9.935 1.00 0.00 C ATOM 0 H ALA A 38 -8.962 -4.946 8.196 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.183 -7.040 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.585 -5.965 10.601 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.810 -4.769 9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.080 -5.003 10.527 1.00 0.00 H new ATOM 501 N ARG A 39 -8.247 -8.899 9.665 1.00 0.00 N ATOM 502 CA ARG A 39 -8.792 -10.021 10.420 1.00 0.00 C ATOM 503 C ARG A 39 -8.449 -9.897 11.901 1.00 0.00 C ATOM 504 O ARG A 39 -9.312 -10.057 12.765 1.00 0.00 O ATOM 505 CB ARG A 39 -8.253 -11.343 9.869 1.00 0.00 C ATOM 506 CG ARG A 39 -8.944 -11.799 8.594 1.00 0.00 C ATOM 507 CD ARG A 39 -8.026 -12.659 7.740 1.00 0.00 C ATOM 508 NE ARG A 39 -8.132 -14.076 8.079 1.00 0.00 N ATOM 509 CZ ARG A 39 -7.323 -15.010 7.591 1.00 0.00 C ATOM 510 NH1 ARG A 39 -6.355 -14.679 6.748 1.00 0.00 N ATOM 511 NH2 ARG A 39 -7.483 -16.279 7.946 1.00 0.00 N ATOM 0 H ARG A 39 -7.587 -9.164 8.934 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.877 -10.006 10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.185 -11.238 9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.365 -12.116 10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.842 -12.363 8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.265 -10.929 8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.273 -12.519 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.995 -12.331 7.872 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.867 -14.364 8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.230 -13.705 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.735 -15.398 6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.227 -16.537 8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.862 -16.996 7.571 1.00 0.00 H new ATOM 525 N THR A 40 -7.182 -9.612 12.189 1.00 0.00 N ATOM 526 CA THR A 40 -6.725 -9.469 13.565 1.00 0.00 C ATOM 527 C THR A 40 -6.034 -8.127 13.777 1.00 0.00 C ATOM 528 O THR A 40 -5.639 -7.460 12.819 1.00 0.00 O ATOM 529 CB THR A 40 -5.755 -10.600 13.955 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.500 -10.422 13.288 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.336 -11.959 13.597 1.00 0.00 C ATOM 0 H THR A 40 -6.455 -9.476 11.487 1.00 0.00 H new ATOM 0 HA THR A 40 -7.609 -9.524 14.200 1.00 0.00 H new ATOM 0 HB THR A 40 -5.602 -10.560 15.033 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.648 -10.370 12.321 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.633 -12.742 13.882 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.276 -12.104 14.129 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.516 -12.006 12.523 1.00 0.00 H new ATOM 539 N THR A 41 -5.889 -7.734 15.039 1.00 0.00 N ATOM 540 CA THR A 41 -5.246 -6.471 15.377 1.00 0.00 C ATOM 541 C THR A 41 -3.889 -6.343 14.693 1.00 0.00 C ATOM 542 O THR A 41 -3.387 -5.238 14.492 1.00 0.00 O ATOM 543 CB THR A 41 -5.056 -6.327 16.899 1.00 0.00 C ATOM 544 OG1 THR A 41 -4.443 -5.068 17.199 1.00 0.00 O ATOM 545 CG2 THR A 41 -4.198 -7.457 17.446 1.00 0.00 C ATOM 0 H THR A 41 -6.209 -8.273 15.844 1.00 0.00 H new ATOM 0 HA THR A 41 -5.904 -5.677 15.023 1.00 0.00 H new ATOM 0 HB THR A 41 -6.037 -6.375 17.372 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.327 -4.983 18.168 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.078 -7.334 18.522 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.681 -8.412 17.242 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.219 -7.435 16.967 1.00 0.00 H new ATOM 553 N GLU A 42 -3.302 -7.482 14.337 1.00 0.00 N ATOM 554 CA GLU A 42 -2.003 -7.496 13.675 1.00 0.00 C ATOM 555 C GLU A 42 -2.138 -7.115 12.203 1.00 0.00 C ATOM 556 O GLU A 42 -1.233 -6.518 11.620 1.00 0.00 O ATOM 557 CB GLU A 42 -1.359 -8.878 13.797 1.00 0.00 C ATOM 558 CG GLU A 42 -1.496 -9.493 15.180 1.00 0.00 C ATOM 559 CD GLU A 42 -0.397 -10.493 15.485 1.00 0.00 C ATOM 560 OE1 GLU A 42 0.684 -10.392 14.869 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.618 -11.375 16.341 1.00 0.00 O ATOM 0 H GLU A 42 -3.705 -8.405 14.496 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.366 -6.761 14.166 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.812 -9.547 13.065 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.301 -8.800 13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.480 -8.701 15.929 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.464 -9.987 15.260 1.00 0.00 H new ATOM 568 N ASP A 43 -3.275 -7.463 11.610 1.00 0.00 N ATOM 569 CA ASP A 43 -3.530 -7.158 10.207 1.00 0.00 C ATOM 570 C ASP A 43 -3.921 -5.694 10.032 1.00 0.00 C ATOM 571 O ASP A 43 -4.505 -5.085 10.929 1.00 0.00 O ATOM 572 CB ASP A 43 -4.634 -8.063 9.658 1.00 0.00 C ATOM 573 CG ASP A 43 -4.144 -9.470 9.379 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.796 -10.179 10.345 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.107 -9.861 8.193 1.00 0.00 O ATOM 0 H ASP A 43 -4.035 -7.956 12.079 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.612 -7.340 9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.456 -8.103 10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.031 -7.631 8.739 1.00 0.00 H new ATOM 580 N LEU A 44 -3.594 -5.134 8.872 1.00 0.00 N ATOM 581 CA LEU A 44 -3.910 -3.740 8.580 1.00 0.00 C ATOM 582 C LEU A 44 -5.226 -3.629 7.816 1.00 0.00 C ATOM 583 O LEU A 44 -5.417 -4.282 6.790 1.00 0.00 O ATOM 584 CB LEU A 44 -2.782 -3.100 7.770 1.00 0.00 C ATOM 585 CG LEU A 44 -2.577 -1.598 7.974 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.765 -1.010 6.831 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.918 -0.889 8.099 1.00 0.00 C ATOM 0 H LEU A 44 -3.111 -5.624 8.119 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.015 -3.211 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.851 -3.610 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.974 -3.280 6.712 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.022 -1.449 8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.629 0.059 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.791 -1.497 6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.292 -1.170 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.753 0.179 8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.499 -1.047 7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.464 -1.291 8.953 1.00 0.00 H new ATOM 599 N SER A 45 -6.130 -2.796 8.322 1.00 0.00 N ATOM 600 CA SER A 45 -7.428 -2.600 7.688 1.00 0.00 C ATOM 601 C SER A 45 -7.357 -1.502 6.631 1.00 0.00 C ATOM 602 O SER A 45 -7.060 -0.347 6.938 1.00 0.00 O ATOM 603 CB SER A 45 -8.483 -2.245 8.738 1.00 0.00 C ATOM 604 OG SER A 45 -8.937 -3.403 9.416 1.00 0.00 O ATOM 0 H SER A 45 -5.987 -2.246 9.169 1.00 0.00 H new ATOM 0 HA SER A 45 -7.710 -3.532 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.063 -1.540 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.325 -1.747 8.258 1.00 0.00 H new ATOM 0 HG SER A 45 -9.609 -3.149 10.083 1.00 0.00 H new ATOM 610 N PHE A 46 -7.631 -1.871 5.385 1.00 0.00 N ATOM 611 CA PHE A 46 -7.598 -0.919 4.281 1.00 0.00 C ATOM 612 C PHE A 46 -8.845 -1.051 3.411 1.00 0.00 C ATOM 613 O PHE A 46 -9.579 -2.034 3.503 1.00 0.00 O ATOM 614 CB PHE A 46 -6.344 -1.136 3.431 1.00 0.00 C ATOM 615 CG PHE A 46 -6.166 -2.556 2.976 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.641 -3.510 3.832 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.524 -2.937 1.693 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.475 -4.818 3.416 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.361 -4.243 1.271 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.837 -5.185 2.135 1.00 0.00 C ATOM 0 H PHE A 46 -7.879 -2.823 5.114 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.575 0.086 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.390 -0.486 2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.468 -0.835 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.358 -3.229 4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.935 -2.205 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.063 -5.552 4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.643 -4.527 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.711 -6.207 1.809 1.00 0.00 H new ATOM 630 N LYS A 47 -9.078 -0.052 2.566 1.00 0.00 N ATOM 631 CA LYS A 47 -10.234 -0.054 1.678 1.00 0.00 C ATOM 632 C LYS A 47 -9.821 0.270 0.246 1.00 0.00 C ATOM 633 O LYS A 47 -8.774 0.874 0.012 1.00 0.00 O ATOM 634 CB LYS A 47 -11.276 0.958 2.162 1.00 0.00 C ATOM 635 CG LYS A 47 -11.752 0.709 3.582 1.00 0.00 C ATOM 636 CD LYS A 47 -12.659 -0.508 3.660 1.00 0.00 C ATOM 637 CE LYS A 47 -12.907 -0.926 5.102 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.064 -1.857 5.218 1.00 0.00 N ATOM 0 H LYS A 47 -8.481 0.770 2.478 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.671 -1.052 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.853 1.960 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.134 0.933 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.891 0.565 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.286 1.586 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.610 -0.286 3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.208 -1.335 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.013 -1.406 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.091 -0.040 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.201 -2.118 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.922 -1.390 4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.878 -2.713 4.658 1.00 0.00 H new ATOM 652 N LYS A 48 -10.651 -0.133 -0.710 1.00 0.00 N ATOM 653 CA LYS A 48 -10.374 0.116 -2.120 1.00 0.00 C ATOM 654 C LYS A 48 -10.237 1.611 -2.391 1.00 0.00 C ATOM 655 O LYS A 48 -11.203 2.365 -2.273 1.00 0.00 O ATOM 656 CB LYS A 48 -11.487 -0.471 -2.991 1.00 0.00 C ATOM 657 CG LYS A 48 -11.477 0.044 -4.419 1.00 0.00 C ATOM 658 CD LYS A 48 -12.519 -0.659 -5.273 1.00 0.00 C ATOM 659 CE LYS A 48 -12.567 -0.083 -6.680 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.364 -0.939 -7.603 1.00 0.00 N ATOM 0 H LYS A 48 -11.522 -0.634 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.431 -0.369 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.392 -1.557 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.451 -0.241 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.668 1.117 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.489 -0.105 -4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.292 -1.724 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.499 -0.563 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.999 0.917 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.553 0.020 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.373 -0.512 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.938 -1.886 -7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.339 -1.017 -7.249 1.00 0.00 H new ATOM 674 N GLY A 49 -9.030 2.034 -2.756 1.00 0.00 N ATOM 675 CA GLY A 49 -8.790 3.436 -3.039 1.00 0.00 C ATOM 676 C GLY A 49 -8.050 4.136 -1.917 1.00 0.00 C ATOM 677 O GLY A 49 -8.159 5.351 -1.756 1.00 0.00 O ATOM 0 H GLY A 49 -8.215 1.430 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.214 3.524 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.743 3.937 -3.210 1.00 0.00 H new ATOM 681 N GLU A 50 -7.296 3.367 -1.137 1.00 0.00 N ATOM 682 CA GLU A 50 -6.537 3.922 -0.022 1.00 0.00 C ATOM 683 C GLU A 50 -5.043 3.674 -0.204 1.00 0.00 C ATOM 684 O GLU A 50 -4.629 2.597 -0.635 1.00 0.00 O ATOM 685 CB GLU A 50 -7.010 3.311 1.299 1.00 0.00 C ATOM 686 CG GLU A 50 -6.753 4.198 2.505 1.00 0.00 C ATOM 687 CD GLU A 50 -7.215 3.565 3.804 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.082 2.668 3.752 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.708 3.966 4.872 1.00 0.00 O ATOM 0 H GLU A 50 -7.195 2.359 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.708 4.998 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.078 3.103 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.508 2.355 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.687 4.416 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.265 5.150 2.367 1.00 0.00 H new ATOM 696 N ARG A 51 -4.237 4.678 0.126 1.00 0.00 N ATOM 697 CA ARG A 51 -2.789 4.570 -0.002 1.00 0.00 C ATOM 698 C ARG A 51 -2.159 4.123 1.313 1.00 0.00 C ATOM 699 O ARG A 51 -2.752 4.274 2.381 1.00 0.00 O ATOM 700 CB ARG A 51 -2.193 5.911 -0.436 1.00 0.00 C ATOM 701 CG ARG A 51 -2.577 6.319 -1.849 1.00 0.00 C ATOM 702 CD ARG A 51 -1.572 7.297 -2.438 1.00 0.00 C ATOM 703 NE ARG A 51 -2.112 8.005 -3.596 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.616 9.148 -4.056 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.572 9.709 -3.459 1.00 0.00 N ATOM 706 NH2 ARG A 51 -2.162 9.732 -5.114 1.00 0.00 N ATOM 0 H ARG A 51 -4.563 5.576 0.484 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.571 3.820 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.519 6.686 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.107 5.856 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.638 5.433 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.568 6.774 -1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.279 8.019 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.670 6.759 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.914 7.599 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.149 9.262 -2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.193 10.587 -3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.964 9.303 -5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.780 10.610 -5.466 1.00 0.00 H new ATOM 720 N PHE A 52 -0.953 3.571 1.228 1.00 0.00 N ATOM 721 CA PHE A 52 -0.242 3.100 2.411 1.00 0.00 C ATOM 722 C PHE A 52 1.263 3.067 2.164 1.00 0.00 C ATOM 723 O PHE A 52 1.720 2.615 1.115 1.00 0.00 O ATOM 724 CB PHE A 52 -0.735 1.707 2.807 1.00 0.00 C ATOM 725 CG PHE A 52 -2.230 1.608 2.914 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.001 1.328 1.797 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.865 1.796 4.131 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.377 1.236 1.891 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.241 1.705 4.232 1.00 0.00 C ATOM 730 CZ PHE A 52 -4.997 1.426 3.110 1.00 0.00 C ATOM 0 H PHE A 52 -0.448 3.439 0.352 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.444 3.795 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.383 0.983 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.291 1.432 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.521 1.180 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.279 2.016 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.966 1.016 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.724 1.852 5.187 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.072 1.357 3.186 1.00 0.00 H new ATOM 740 N GLN A 53 2.027 3.552 3.138 1.00 0.00 N ATOM 741 CA GLN A 53 3.481 3.579 3.025 1.00 0.00 C ATOM 742 C GLN A 53 4.081 2.228 3.397 1.00 0.00 C ATOM 743 O GLN A 53 4.007 1.800 4.549 1.00 0.00 O ATOM 744 CB GLN A 53 4.062 4.673 3.923 1.00 0.00 C ATOM 745 CG GLN A 53 3.982 6.064 3.317 1.00 0.00 C ATOM 746 CD GLN A 53 4.073 7.162 4.359 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.467 7.071 5.427 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.833 8.207 4.054 1.00 0.00 N ATOM 0 H GLN A 53 1.664 3.931 4.013 1.00 0.00 H new ATOM 0 HA GLN A 53 3.736 3.796 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.531 4.670 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.105 4.439 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.788 6.188 2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.044 6.164 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.317 8.241 3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.932 8.976 4.717 1.00 0.00 H new ATOM 757 N ILE A 54 4.675 1.560 2.414 1.00 0.00 N ATOM 758 CA ILE A 54 5.289 0.257 2.638 1.00 0.00 C ATOM 759 C ILE A 54 6.476 0.364 3.589 1.00 0.00 C ATOM 760 O ILE A 54 7.503 0.953 3.251 1.00 0.00 O ATOM 761 CB ILE A 54 5.760 -0.379 1.317 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.586 -0.519 0.346 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.402 -1.733 1.579 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.337 -1.084 0.985 1.00 0.00 C ATOM 0 H ILE A 54 4.744 1.900 1.455 1.00 0.00 H new ATOM 0 HA ILE A 54 4.524 -0.378 3.085 1.00 0.00 H new ATOM 0 HB ILE A 54 6.507 0.273 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.357 0.459 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.884 -1.163 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.729 -2.169 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.261 -1.607 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.676 -2.394 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.546 -1.155 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.549 -2.076 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.014 -0.429 1.794 1.00 0.00 H new ATOM 776 N ILE A 55 6.328 -0.209 4.779 1.00 0.00 N ATOM 777 CA ILE A 55 7.389 -0.180 5.777 1.00 0.00 C ATOM 778 C ILE A 55 8.345 -1.355 5.599 1.00 0.00 C ATOM 779 O ILE A 55 9.562 -1.178 5.563 1.00 0.00 O ATOM 780 CB ILE A 55 6.818 -0.211 7.207 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.785 0.902 7.391 1.00 0.00 C ATOM 782 CG2 ILE A 55 7.937 -0.076 8.228 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.735 0.587 8.434 1.00 0.00 C ATOM 0 H ILE A 55 5.484 -0.699 5.075 1.00 0.00 H new ATOM 0 HA ILE A 55 7.933 0.753 5.631 1.00 0.00 H new ATOM 0 HB ILE A 55 6.324 -1.170 7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.299 1.821 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.293 1.091 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.517 -0.100 9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.640 -0.901 8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.458 0.869 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.037 1.420 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.194 -0.314 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.217 0.428 9.399 1.00 0.00 H new ATOM 795 N ASN A 56 7.785 -2.554 5.484 1.00 0.00 N ATOM 796 CA ASN A 56 8.588 -3.759 5.308 1.00 0.00 C ATOM 797 C ASN A 56 7.962 -4.682 4.266 1.00 0.00 C ATOM 798 O ASN A 56 6.807 -5.086 4.394 1.00 0.00 O ATOM 799 CB ASN A 56 8.734 -4.500 6.638 1.00 0.00 C ATOM 800 CG ASN A 56 10.033 -5.277 6.728 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.707 -5.499 5.722 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.390 -5.694 7.937 1.00 0.00 N ATOM 0 H ASN A 56 6.779 -2.718 5.509 1.00 0.00 H new ATOM 0 HA ASN A 56 9.575 -3.459 4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.685 -3.783 7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.895 -5.185 6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.254 -6.222 8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.800 -5.487 8.743 1.00 0.00 H new ATOM 809 N ASN A 57 8.733 -5.010 3.235 1.00 0.00 N ATOM 810 CA ASN A 57 8.255 -5.885 2.170 1.00 0.00 C ATOM 811 C ASN A 57 9.128 -7.132 2.058 1.00 0.00 C ATOM 812 O ASN A 57 9.509 -7.540 0.960 1.00 0.00 O ATOM 813 CB ASN A 57 8.239 -5.137 0.836 1.00 0.00 C ATOM 814 CG ASN A 57 6.896 -4.495 0.548 1.00 0.00 C ATOM 815 OD1 ASN A 57 6.012 -4.470 1.405 1.00 0.00 O ATOM 816 ND2 ASN A 57 6.737 -3.973 -0.662 1.00 0.00 N ATOM 0 H ASN A 57 9.692 -4.683 3.114 1.00 0.00 H new ATOM 0 HA ASN A 57 7.240 -6.195 2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.012 -4.368 0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.487 -5.829 0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.854 -3.528 -0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.498 -4.017 -1.340 1.00 0.00 H new ATOM 823 N THR A 58 9.441 -7.734 3.201 1.00 0.00 N ATOM 824 CA THR A 58 10.268 -8.933 3.231 1.00 0.00 C ATOM 825 C THR A 58 9.416 -10.192 3.114 1.00 0.00 C ATOM 826 O THR A 58 9.782 -11.136 2.416 1.00 0.00 O ATOM 827 CB THR A 58 11.100 -9.009 4.525 1.00 0.00 C ATOM 828 OG1 THR A 58 11.945 -10.164 4.498 1.00 0.00 O ATOM 829 CG2 THR A 58 10.196 -9.064 5.748 1.00 0.00 C ATOM 0 H THR A 58 9.134 -7.410 4.118 1.00 0.00 H new ATOM 0 HA THR A 58 10.942 -8.873 2.377 1.00 0.00 H new ATOM 0 HB THR A 58 11.715 -8.111 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.471 -10.204 5.324 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.806 -9.117 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.575 -8.169 5.782 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.558 -9.946 5.689 1.00 0.00 H new ATOM 837 N GLU A 59 8.279 -10.197 3.802 1.00 0.00 N ATOM 838 CA GLU A 59 7.375 -11.342 3.774 1.00 0.00 C ATOM 839 C GLU A 59 6.332 -11.184 2.672 1.00 0.00 C ATOM 840 O GLU A 59 5.315 -10.517 2.855 1.00 0.00 O ATOM 841 CB GLU A 59 6.682 -11.505 5.128 1.00 0.00 C ATOM 842 CG GLU A 59 7.635 -11.838 6.264 1.00 0.00 C ATOM 843 CD GLU A 59 6.960 -12.603 7.387 1.00 0.00 C ATOM 844 OE1 GLU A 59 6.679 -13.805 7.199 1.00 0.00 O ATOM 845 OE2 GLU A 59 6.713 -11.999 8.451 1.00 0.00 O ATOM 0 H GLU A 59 7.962 -9.423 4.385 1.00 0.00 H new ATOM 0 HA GLU A 59 7.965 -12.234 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.152 -10.584 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.933 -12.293 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.465 -12.428 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.058 -10.915 6.661 1.00 0.00 H new ATOM 852 N GLY A 60 6.593 -11.804 1.525 1.00 0.00 N ATOM 853 CA GLY A 60 5.669 -11.721 0.409 1.00 0.00 C ATOM 854 C GLY A 60 4.226 -11.898 0.838 1.00 0.00 C ATOM 855 O GLY A 60 3.360 -11.104 0.468 1.00 0.00 O ATOM 0 H GLY A 60 7.428 -12.362 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.783 -10.755 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.923 -12.484 -0.327 1.00 0.00 H new ATOM 859 N ASP A 61 3.965 -12.941 1.617 1.00 0.00 N ATOM 860 CA ASP A 61 2.616 -13.220 2.095 1.00 0.00 C ATOM 861 C ASP A 61 1.889 -11.928 2.454 1.00 0.00 C ATOM 862 O ASP A 61 0.844 -11.614 1.883 1.00 0.00 O ATOM 863 CB ASP A 61 2.665 -14.147 3.312 1.00 0.00 C ATOM 864 CG ASP A 61 3.560 -15.349 3.088 1.00 0.00 C ATOM 865 OD1 ASP A 61 3.375 -16.045 2.067 1.00 0.00 O ATOM 866 OD2 ASP A 61 4.446 -15.595 3.933 1.00 0.00 O ATOM 0 H ASP A 61 4.670 -13.608 1.931 1.00 0.00 H new ATOM 0 HA ASP A 61 2.067 -13.714 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.022 -13.588 4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.656 -14.487 3.547 1.00 0.00 H new ATOM 871 N TRP A 62 2.447 -11.184 3.402 1.00 0.00 N ATOM 872 CA TRP A 62 1.850 -9.927 3.837 1.00 0.00 C ATOM 873 C TRP A 62 2.920 -8.860 4.045 1.00 0.00 C ATOM 874 O TRP A 62 3.990 -9.139 4.584 1.00 0.00 O ATOM 875 CB TRP A 62 1.060 -10.133 5.130 1.00 0.00 C ATOM 876 CG TRP A 62 -0.055 -11.125 4.993 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.065 -12.471 4.793 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.459 -10.849 5.044 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.180 -13.048 4.716 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.131 -12.074 4.868 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.213 -9.686 5.222 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.520 -12.167 4.865 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.592 -9.780 5.219 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.234 -11.012 5.042 1.00 0.00 C ATOM 0 H TRP A 62 3.312 -11.429 3.884 1.00 0.00 H new ATOM 0 HA TRP A 62 1.170 -9.587 3.055 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.740 -10.467 5.913 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.648 -9.177 5.452 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.001 -13.003 4.708 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.366 -14.040 4.569 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.727 -8.731 5.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -4.017 -13.116 4.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.185 -8.888 5.356 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.313 -11.052 5.045 1.00 0.00 H new ATOM 895 N TRP A 63 2.623 -7.639 3.613 1.00 0.00 N ATOM 896 CA TRP A 63 3.561 -6.531 3.753 1.00 0.00 C ATOM 897 C TRP A 63 3.118 -5.580 4.860 1.00 0.00 C ATOM 898 O TRP A 63 1.925 -5.351 5.053 1.00 0.00 O ATOM 899 CB TRP A 63 3.685 -5.771 2.431 1.00 0.00 C ATOM 900 CG TRP A 63 4.429 -6.533 1.376 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.174 -7.664 1.554 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.501 -6.218 -0.018 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.705 -8.070 0.354 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.306 -7.201 -0.627 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.961 -5.203 -0.813 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.584 -7.195 -1.991 1.00 0.00 C ATOM 907 CZ3 TRP A 63 4.239 -5.198 -2.166 1.00 0.00 C ATOM 908 CH2 TRP A 63 5.043 -6.189 -2.745 1.00 0.00 C ATOM 0 H TRP A 63 1.741 -7.392 3.164 1.00 0.00 H new ATOM 0 HA TRP A 63 4.534 -6.943 4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.687 -5.533 2.062 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.193 -4.823 2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.323 -8.165 2.499 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.300 -8.887 0.216 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.338 -4.436 -0.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.205 -7.957 -2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.829 -4.416 -2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 63 5.240 -6.158 -3.807 1.00 0.00 H new ATOM 919 N GLU A 64 4.088 -5.029 5.584 1.00 0.00 N ATOM 920 CA GLU A 64 3.796 -4.104 6.672 1.00 0.00 C ATOM 921 C GLU A 64 3.829 -2.659 6.181 1.00 0.00 C ATOM 922 O GLU A 64 4.887 -2.133 5.838 1.00 0.00 O ATOM 923 CB GLU A 64 4.799 -4.289 7.812 1.00 0.00 C ATOM 924 CG GLU A 64 4.452 -3.500 9.063 1.00 0.00 C ATOM 925 CD GLU A 64 5.209 -3.982 10.286 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.457 -3.985 10.249 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.552 -4.356 11.280 1.00 0.00 O ATOM 0 H GLU A 64 5.081 -5.207 5.436 1.00 0.00 H new ATOM 0 HA GLU A 64 2.794 -4.322 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.857 -5.348 8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.788 -3.989 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.673 -2.446 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.381 -3.576 9.250 1.00 0.00 H new ATOM 934 N ALA A 65 2.662 -2.024 6.151 1.00 0.00 N ATOM 935 CA ALA A 65 2.557 -0.641 5.704 1.00 0.00 C ATOM 936 C ALA A 65 1.825 0.215 6.733 1.00 0.00 C ATOM 937 O ALA A 65 1.157 -0.307 7.626 1.00 0.00 O ATOM 938 CB ALA A 65 1.848 -0.573 4.359 1.00 0.00 C ATOM 0 H ALA A 65 1.776 -2.445 6.431 1.00 0.00 H new ATOM 0 HA ALA A 65 3.566 -0.244 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.777 0.466 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.412 -1.143 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.847 -0.993 4.454 1.00 0.00 H new ATOM 944 N ARG A 66 1.957 1.531 6.603 1.00 0.00 N ATOM 945 CA ARG A 66 1.310 2.458 7.523 1.00 0.00 C ATOM 946 C ARG A 66 0.460 3.473 6.764 1.00 0.00 C ATOM 947 O ARG A 66 0.987 4.383 6.124 1.00 0.00 O ATOM 948 CB ARG A 66 2.358 3.185 8.369 1.00 0.00 C ATOM 949 CG ARG A 66 1.767 4.221 9.312 1.00 0.00 C ATOM 950 CD ARG A 66 2.751 5.347 9.589 1.00 0.00 C ATOM 951 NE ARG A 66 2.541 5.946 10.904 1.00 0.00 N ATOM 952 CZ ARG A 66 2.878 5.352 12.044 1.00 0.00 C ATOM 953 NH1 ARG A 66 3.437 4.150 12.029 1.00 0.00 N ATOM 954 NH2 ARG A 66 2.655 5.961 13.201 1.00 0.00 N ATOM 0 H ARG A 66 2.506 1.979 5.869 1.00 0.00 H new ATOM 0 HA ARG A 66 0.658 1.883 8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.915 2.451 8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.072 3.674 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.855 4.632 8.878 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.486 3.743 10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.769 4.963 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.650 6.114 8.821 1.00 0.00 H new ATOM 0 HE ARG A 66 2.112 6.870 10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.609 3.679 11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.695 3.696 12.906 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.225 6.886 13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.914 5.505 14.076 1.00 0.00 H new ATOM 968 N SER A 67 -0.857 3.310 6.841 1.00 0.00 N ATOM 969 CA SER A 67 -1.779 4.208 6.157 1.00 0.00 C ATOM 970 C SER A 67 -1.331 5.660 6.302 1.00 0.00 C ATOM 971 O SER A 67 -0.850 6.070 7.358 1.00 0.00 O ATOM 972 CB SER A 67 -3.194 4.042 6.716 1.00 0.00 C ATOM 973 OG SER A 67 -3.977 5.198 6.473 1.00 0.00 O ATOM 0 H SER A 67 -1.309 2.564 7.370 1.00 0.00 H new ATOM 0 HA SER A 67 -1.781 3.950 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.669 3.174 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.145 3.851 7.788 1.00 0.00 H new ATOM 0 HG SER A 67 -4.743 5.209 7.084 1.00 0.00 H new ATOM 979 N ILE A 68 -1.493 6.431 5.232 1.00 0.00 N ATOM 980 CA ILE A 68 -1.106 7.836 5.239 1.00 0.00 C ATOM 981 C ILE A 68 -2.299 8.734 5.547 1.00 0.00 C ATOM 982 O ILE A 68 -2.151 9.796 6.150 1.00 0.00 O ATOM 983 CB ILE A 68 -0.495 8.259 3.889 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.444 7.170 3.367 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.245 9.580 4.034 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.881 7.385 1.935 1.00 0.00 C ATOM 0 H ILE A 68 -1.889 6.107 4.350 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.355 7.952 6.021 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.301 8.394 3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.327 7.126 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.054 6.204 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.671 9.866 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.449 10.351 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.044 9.471 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.545 6.575 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.006 7.399 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.408 8.336 1.854 1.00 0.00 H new ATOM 998 N ALA A 69 -3.484 8.297 5.130 1.00 0.00 N ATOM 999 CA ALA A 69 -4.704 9.059 5.365 1.00 0.00 C ATOM 1000 C ALA A 69 -5.165 8.925 6.813 1.00 0.00 C ATOM 1001 O ALA A 69 -5.252 9.913 7.542 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.802 8.603 4.415 1.00 0.00 C ATOM 0 H ALA A 69 -3.624 7.420 4.628 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.488 10.111 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.707 9.180 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.479 8.757 3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.007 7.545 4.577 1.00 0.00 H new ATOM 1008 N THR A 70 -5.461 7.695 7.223 1.00 0.00 N ATOM 1009 CA THR A 70 -5.915 7.432 8.583 1.00 0.00 C ATOM 1010 C THR A 70 -4.743 7.401 9.557 1.00 0.00 C ATOM 1011 O THR A 70 -4.805 7.990 10.636 1.00 0.00 O ATOM 1012 CB THR A 70 -6.677 6.096 8.672 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.854 5.030 8.187 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.967 6.155 7.867 1.00 0.00 C ATOM 0 H THR A 70 -5.394 6.866 6.633 1.00 0.00 H new ATOM 0 HA THR A 70 -6.588 8.245 8.855 1.00 0.00 H new ATOM 0 HB THR A 70 -6.927 5.914 9.717 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.418 4.265 7.946 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.488 5.201 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.604 6.949 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.735 6.358 6.822 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.675 6.711 9.170 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.504 6.617 10.022 1.00 0.00 C ATOM 1024 C GLY A 71 -2.392 5.270 10.708 1.00 0.00 C ATOM 1025 O GLY A 71 -1.623 5.109 11.656 1.00 0.00 O ATOM 0 H GLY A 71 -3.600 6.215 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.609 6.793 9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.543 7.403 10.776 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.162 4.299 10.230 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.148 2.958 10.803 1.00 0.00 C ATOM 1031 C LYS A 72 -1.874 2.214 10.415 1.00 0.00 C ATOM 1032 O LYS A 72 -1.066 2.715 9.633 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.374 2.169 10.338 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.694 2.827 10.701 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.844 1.835 10.649 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.151 2.516 10.275 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.785 3.182 11.447 1.00 0.00 N ATOM 0 H LYS A 72 -3.804 4.415 9.446 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.176 3.054 11.888 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.326 2.043 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.342 1.172 10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.626 3.254 11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.892 3.651 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.619 1.053 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.950 1.349 11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.966 3.254 9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.839 1.779 9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.673 3.634 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.985 2.474 12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.139 3.903 11.828 1.00 0.00 H new ATOM 1051 N SER A 73 -1.703 1.017 10.965 1.00 0.00 N ATOM 1052 CA SER A 73 -0.526 0.205 10.677 1.00 0.00 C ATOM 1053 C SER A 73 -0.819 -1.276 10.901 1.00 0.00 C ATOM 1054 O SER A 73 -1.560 -1.643 11.812 1.00 0.00 O ATOM 1055 CB SER A 73 0.648 0.642 11.556 1.00 0.00 C ATOM 1056 OG SER A 73 0.290 0.632 12.927 1.00 0.00 O ATOM 0 H SER A 73 -2.364 0.587 11.612 1.00 0.00 H new ATOM 0 HA SER A 73 -0.262 0.351 9.630 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.496 -0.024 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.969 1.643 11.268 1.00 0.00 H new ATOM 0 HG SER A 73 1.058 0.913 13.468 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.232 -2.122 10.061 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.442 -3.553 10.182 1.00 0.00 C ATOM 1064 C GLY A 74 0.159 -4.328 9.026 1.00 0.00 C ATOM 1065 O GLY A 74 1.253 -4.010 8.559 1.00 0.00 O ATOM 0 H GLY A 74 0.385 -1.842 9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.004 -3.903 11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.511 -3.757 10.235 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.556 -5.347 8.563 1.00 0.00 N ATOM 1070 CA TYR A 75 -0.084 -6.172 7.457 1.00 0.00 C ATOM 1071 C TYR A 75 -1.147 -6.282 6.368 1.00 0.00 C ATOM 1072 O TYR A 75 -2.274 -6.706 6.626 1.00 0.00 O ATOM 1073 CB TYR A 75 0.294 -7.566 7.959 1.00 0.00 C ATOM 1074 CG TYR A 75 1.327 -7.553 9.063 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.456 -6.748 8.975 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.175 -8.347 10.193 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.403 -6.733 9.981 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.116 -8.337 11.204 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.228 -7.529 11.094 1.00 0.00 C ATOM 1080 OH TYR A 75 4.168 -7.518 12.098 1.00 0.00 O ATOM 0 H TYR A 75 -1.465 -5.622 8.936 1.00 0.00 H new ATOM 0 HA TYR A 75 0.799 -5.695 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.604 -8.069 8.319 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.675 -8.153 7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.596 -6.123 8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.306 -8.983 10.282 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.275 -6.102 9.896 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.982 -8.959 12.077 1.00 0.00 H new ATOM 0 HH TYR A 75 3.894 -8.133 12.810 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.779 -5.897 5.151 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.699 -5.954 4.022 1.00 0.00 C ATOM 1092 C ILE A 76 -1.182 -6.894 2.938 1.00 0.00 C ATOM 1093 O ILE A 76 0.013 -6.947 2.646 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.926 -4.559 3.410 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.588 -3.918 3.036 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.691 -3.673 4.381 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.730 -2.673 2.189 1.00 0.00 C ATOM 0 H ILE A 76 0.149 -5.542 4.922 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.646 -6.332 4.406 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.521 -4.669 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.047 -3.667 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.017 -4.647 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.844 -2.691 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.658 -4.125 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.121 -3.567 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.258 -2.273 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.243 -2.922 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.308 -1.926 2.734 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.102 -7.653 2.325 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.763 -8.604 1.261 1.00 0.00 C ATOM 1111 C PRO A 77 -1.339 -7.906 -0.026 1.00 0.00 C ATOM 1112 O PRO A 77 -2.080 -7.091 -0.575 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.068 -9.375 1.046 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.139 -8.442 1.496 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.544 -7.641 2.622 1.00 0.00 C ATOM 0 HA PRO A 77 -0.918 -9.236 1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.197 -9.650 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.081 -10.300 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.458 -7.792 0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.020 -8.991 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.941 -6.626 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.758 -8.090 3.592 1.00 0.00 H new ATOM 1123 N SER A 78 -0.142 -8.231 -0.503 1.00 0.00 N ATOM 1124 CA SER A 78 0.383 -7.633 -1.725 1.00 0.00 C ATOM 1125 C SER A 78 -0.431 -8.073 -2.938 1.00 0.00 C ATOM 1126 O SER A 78 -0.357 -7.462 -4.004 1.00 0.00 O ATOM 1127 CB SER A 78 1.852 -8.016 -1.916 1.00 0.00 C ATOM 1128 OG SER A 78 1.975 -9.351 -2.373 1.00 0.00 O ATOM 0 H SER A 78 0.483 -8.906 -0.062 1.00 0.00 H new ATOM 0 HA SER A 78 0.307 -6.550 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.318 -7.339 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.387 -7.900 -0.973 1.00 0.00 H new ATOM 0 HG SER A 78 2.923 -9.571 -2.489 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.207 -9.138 -2.767 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.035 -9.661 -3.848 1.00 0.00 C ATOM 1136 C ASN A 79 -3.277 -8.798 -4.049 1.00 0.00 C ATOM 1137 O ASN A 79 -4.083 -9.050 -4.945 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.447 -11.105 -3.549 1.00 0.00 C ATOM 1139 CG ASN A 79 -3.057 -11.793 -4.755 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -4.377 -11.711 -4.878 1.00 0.00 O flip ATOM 1141 ND2 ASN A 79 -2.350 -12.391 -5.566 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.280 -9.656 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.447 -9.639 -4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.575 -11.667 -3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.164 -11.113 -2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.340 -12.428 -5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.775 -12.849 -6.372 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.424 -7.779 -3.210 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.568 -6.878 -3.294 1.00 0.00 C ATOM 1150 C TYR A 80 -4.115 -5.446 -3.562 1.00 0.00 C ATOM 1151 O TYR A 80 -4.815 -4.674 -4.217 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.383 -6.934 -2.002 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.474 -7.980 -2.018 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.254 -9.233 -2.578 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.725 -7.717 -1.473 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.249 -10.192 -2.596 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.725 -8.671 -1.485 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.482 -9.906 -2.049 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.474 -10.859 -2.063 1.00 0.00 O ATOM 0 H TYR A 80 -2.765 -7.556 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.194 -7.203 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.711 -7.135 -1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.831 -5.957 -1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.289 -9.461 -3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.919 -6.750 -1.032 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.062 -11.160 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.691 -8.451 -1.055 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.280 -10.499 -1.638 1.00 0.00 H new ATOM 1169 N VAL A 81 -2.938 -5.099 -3.051 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.390 -3.761 -3.236 1.00 0.00 C ATOM 1171 C VAL A 81 -1.312 -3.753 -4.314 1.00 0.00 C ATOM 1172 O VAL A 81 -0.598 -4.738 -4.502 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.793 -3.213 -1.926 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -2.857 -3.148 -0.841 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.616 -4.066 -1.479 1.00 0.00 C ATOM 0 H VAL A 81 -2.346 -5.726 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.216 -3.121 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.430 -2.201 -2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.417 -2.759 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.665 -2.491 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.252 -4.147 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.207 -3.664 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.951 -5.090 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.154 -4.056 -2.250 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.198 -2.633 -5.021 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.206 -2.495 -6.081 1.00 0.00 C ATOM 1187 C VAL A 82 0.408 -1.100 -6.080 1.00 0.00 C ATOM 1188 O VAL A 82 -0.207 -0.123 -5.651 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.821 -2.772 -7.465 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -1.843 -3.896 -7.381 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.453 -1.508 -8.030 1.00 0.00 C ATOM 0 H VAL A 82 -1.781 -1.808 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 82 0.573 -3.232 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.025 -3.087 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.267 -4.077 -8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.357 -4.803 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.638 -3.614 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.883 -1.722 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.237 -1.161 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.692 -0.734 -8.129 1.00 0.00 H new ATOM 1201 N PRO A 83 1.652 -1.001 -6.572 1.00 0.00 N ATOM 1202 CA PRO A 83 2.378 0.271 -6.640 1.00 0.00 C ATOM 1203 C PRO A 83 1.787 1.221 -7.677 1.00 0.00 C ATOM 1204 O PRO A 83 1.493 0.820 -8.803 1.00 0.00 O ATOM 1205 CB PRO A 83 3.793 -0.149 -7.045 1.00 0.00 C ATOM 1206 CG PRO A 83 3.614 -1.443 -7.760 1.00 0.00 C ATOM 1207 CD PRO A 83 2.446 -2.123 -7.100 1.00 0.00 C ATOM 0 HA PRO A 83 2.334 0.816 -5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.259 0.598 -7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.437 -0.264 -6.173 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.422 -1.280 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.513 -2.055 -7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.875 -2.720 -7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.769 -2.796 -6.305 1.00 0.00 H new ATOM 1215 N ALA A 84 1.616 2.480 -7.289 1.00 0.00 N ATOM 1216 CA ALA A 84 1.062 3.487 -8.186 1.00 0.00 C ATOM 1217 C ALA A 84 1.981 3.723 -9.380 1.00 0.00 C ATOM 1218 O ALA A 84 1.645 4.474 -10.296 1.00 0.00 O ATOM 1219 CB ALA A 84 0.824 4.789 -7.435 1.00 0.00 C ATOM 0 H ALA A 84 1.853 2.827 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 84 0.108 3.118 -8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.410 5.532 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.123 4.615 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.768 5.154 -7.031 1.00 0.00 H new ATOM 1225 N ASP A 85 3.143 3.079 -9.363 1.00 0.00 N ATOM 1226 CA ASP A 85 4.111 3.219 -10.445 1.00 0.00 C ATOM 1227 C ASP A 85 3.982 2.071 -11.441 1.00 0.00 C ATOM 1228 O ASP A 85 4.089 2.270 -12.651 1.00 0.00 O ATOM 1229 CB ASP A 85 5.532 3.266 -9.883 1.00 0.00 C ATOM 1230 CG ASP A 85 5.623 4.078 -8.606 1.00 0.00 C ATOM 1231 OD1 ASP A 85 5.271 5.276 -8.637 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.045 3.515 -7.574 1.00 0.00 O ATOM 0 H ASP A 85 3.438 2.455 -8.612 1.00 0.00 H new ATOM 0 HA ASP A 85 3.904 4.153 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.877 2.250 -9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.201 3.693 -10.630 1.00 0.00 H new ATOM 1237 N SER A 86 3.753 0.868 -10.923 1.00 0.00 N ATOM 1238 CA SER A 86 3.615 -0.314 -11.767 1.00 0.00 C ATOM 1239 C SER A 86 2.182 -0.835 -11.741 1.00 0.00 C ATOM 1240 O SER A 86 1.938 -2.024 -11.947 1.00 0.00 O ATOM 1241 CB SER A 86 4.577 -1.411 -11.306 1.00 0.00 C ATOM 1242 OG SER A 86 5.814 -1.326 -11.992 1.00 0.00 O ATOM 0 H SER A 86 3.659 0.686 -9.924 1.00 0.00 H new ATOM 0 HA SER A 86 3.862 -0.031 -12.790 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.746 -1.323 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.128 -2.389 -11.479 1.00 0.00 H new ATOM 0 HG SER A 86 6.412 -2.037 -11.678 1.00 0.00 H new ATOM 1248 N ILE A 87 1.237 0.064 -11.487 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.173 -0.304 -11.435 1.00 0.00 C ATOM 1250 C ILE A 87 -0.512 -1.333 -12.509 1.00 0.00 C ATOM 1251 O ILE A 87 -0.644 -0.996 -13.685 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.083 0.926 -11.613 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.419 2.169 -11.017 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.437 0.680 -10.966 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.397 3.269 -10.670 1.00 0.00 C ATOM 0 H ILE A 87 1.422 1.052 -11.314 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.350 -0.737 -10.451 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.237 1.095 -12.679 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.128 1.883 -10.118 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.313 2.555 -11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.069 1.558 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.912 -0.183 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.302 0.489 -9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.856 4.118 -10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.926 3.582 -11.570 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.114 2.900 -9.937 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.654 -2.588 -12.094 1.00 0.00 N ATOM 1268 CA GLN A 88 -0.979 -3.665 -13.021 1.00 0.00 C ATOM 1269 C GLN A 88 -2.463 -3.650 -13.375 1.00 0.00 C ATOM 1270 O GLN A 88 -2.872 -4.197 -14.398 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.601 -5.018 -12.416 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.232 -5.275 -11.057 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.818 -6.607 -10.463 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -0.234 -6.662 -9.381 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -1.120 -7.690 -11.170 1.00 0.00 N ATOM 0 H GLN A 88 -0.549 -2.883 -11.123 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.405 -3.510 -13.934 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.901 -5.810 -13.102 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.483 -5.073 -12.320 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.951 -4.474 -10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.317 -5.246 -11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.605 -7.598 -12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.867 -8.614 -10.820 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.263 -3.020 -12.520 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.701 -2.933 -12.744 1.00 0.00 C ATOM 1286 C ALA A 89 -5.144 -1.482 -12.900 1.00 0.00 C ATOM 1287 O ALA A 89 -6.296 -1.144 -12.631 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.454 -3.597 -11.601 1.00 0.00 C ATOM 0 H ALA A 89 -2.940 -2.563 -11.667 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.933 -3.458 -13.670 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.527 -3.525 -11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.167 -4.647 -11.537 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.209 -3.096 -10.664 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.222 -0.629 -13.335 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.520 0.786 -13.525 1.00 0.00 C ATOM 1296 C GLU A 90 -5.945 0.978 -14.034 1.00 0.00 C ATOM 1297 O GLU A 90 -6.573 2.005 -13.776 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.527 1.411 -14.507 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.150 0.494 -15.658 1.00 0.00 C ATOM 1300 CD GLU A 90 -4.007 0.718 -16.889 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -5.238 0.526 -16.798 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -3.447 1.087 -17.942 1.00 0.00 O ATOM 0 H GLU A 90 -3.263 -0.893 -13.562 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.428 1.284 -12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.956 2.328 -14.910 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.623 1.692 -13.967 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.103 0.653 -15.916 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.246 -0.543 -15.337 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.449 -0.017 -14.757 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.800 0.044 -15.303 1.00 0.00 C ATOM 1311 C GLU A 91 -8.765 0.664 -14.298 1.00 0.00 C ATOM 1312 O GLU A 91 -9.725 1.335 -14.676 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.280 -1.356 -15.693 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.485 -1.978 -16.829 1.00 0.00 C ATOM 1315 CD GLU A 91 -7.909 -3.403 -17.125 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -7.741 -4.268 -16.240 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.409 -3.654 -18.241 1.00 0.00 O ATOM 0 H GLU A 91 -5.943 -0.874 -14.978 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.777 0.673 -16.193 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.221 -2.007 -14.821 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.330 -1.304 -15.982 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.607 -1.373 -17.727 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.425 -1.963 -16.576 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.504 0.432 -13.016 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.351 0.967 -11.955 1.00 0.00 C ATOM 1326 C TRP A 92 -9.366 2.491 -11.988 1.00 0.00 C ATOM 1327 O TRP A 92 -10.420 3.114 -11.853 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.863 0.478 -10.591 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.501 0.988 -10.229 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.332 0.282 -10.239 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.167 2.313 -9.802 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.292 1.088 -9.844 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.778 2.339 -9.571 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.907 3.481 -9.594 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.116 3.487 -9.142 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.249 4.619 -9.168 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.865 4.616 -8.947 1.00 0.00 C ATOM 0 H TRP A 92 -7.714 -0.122 -12.686 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.367 0.609 -12.119 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.574 0.789 -9.826 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.847 -0.612 -10.588 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.239 -0.758 -10.517 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.316 0.801 -9.767 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.974 3.494 -9.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.050 3.486 -8.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.811 5.526 -9.003 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.380 5.522 -8.616 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.192 3.087 -12.167 1.00 0.00 N ATOM 1349 CA TYR A 93 -8.071 4.539 -12.214 1.00 0.00 C ATOM 1350 C TYR A 93 -8.430 5.071 -13.598 1.00 0.00 C ATOM 1351 O TYR A 93 -8.960 6.173 -13.735 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.650 4.965 -11.844 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.746 5.162 -13.040 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -6.011 6.147 -13.982 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.625 4.361 -13.227 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -5.188 6.330 -15.077 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.796 4.537 -14.318 1.00 0.00 C ATOM 1358 CZ TYR A 93 -4.082 5.522 -15.240 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.259 5.702 -16.329 1.00 0.00 O ATOM 0 H TYR A 93 -7.311 2.587 -12.282 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.769 4.960 -11.491 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.695 5.894 -11.276 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.213 4.212 -11.189 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.876 6.782 -13.857 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.399 3.588 -12.507 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.409 7.101 -15.800 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.929 3.907 -14.448 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.978 4.829 -16.674 1.00 0.00 H new ATOM 1369 N PHE A 94 -8.136 4.278 -14.624 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.426 4.667 -15.999 1.00 0.00 C ATOM 1371 C PHE A 94 -9.921 4.903 -16.193 1.00 0.00 C ATOM 1372 O PHE A 94 -10.331 5.891 -16.800 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.938 3.590 -16.970 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.531 3.808 -17.448 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -6.277 4.597 -18.558 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.462 3.223 -16.788 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.983 4.800 -19.000 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.167 3.422 -17.225 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.927 4.211 -18.333 1.00 0.00 C ATOM 0 H PHE A 94 -7.697 3.362 -14.529 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.899 5.598 -16.206 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.001 2.617 -16.483 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.605 3.559 -17.831 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.099 5.059 -19.084 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.644 2.604 -15.922 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.798 5.418 -19.866 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.343 2.961 -16.701 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.915 4.367 -18.677 1.00 0.00 H new