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 180:sc= -0.345 USER MOD Set 1.2: A 67 SER OG : rot -67:sc= 1.16 USER MOD Set 1.3: A 70 THR OG1 : rot -130:sc= -0.436 USER MOD Set 1.4: A 72 LYS NZ :NH3+ -113:sc= 0.0417 (180deg=-1.71!) USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.231 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 92:sc= 0.0785 USER MOD Single : A 40 THR OG1 : rot -52:sc= 1.26 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= 0.0223 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0452 K(o=-0.045,f=-1.6!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 57 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.43) USER MOD Single : A 58 THR OG1 : rot 180:sc= 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 -84:sc= 1.24 USER MOD Single : A 79 ASN : amide:sc= -0.0638 K(o=-0.064,f=-0.8) 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 -74:sc= 0.106! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.624 2.895 -0.750 1.00 0.00 N ATOM 325 CA THR A 28 6.924 2.866 -2.028 1.00 0.00 C ATOM 326 C THR A 28 5.424 3.058 -1.837 1.00 0.00 C ATOM 327 O THR A 28 4.832 2.511 -0.906 1.00 0.00 O ATOM 328 CB THR A 28 7.169 1.541 -2.773 1.00 0.00 C ATOM 329 OG1 THR A 28 8.565 1.222 -2.759 1.00 0.00 O ATOM 330 CG2 THR A 28 6.679 1.629 -4.211 1.00 0.00 C ATOM 0 HA THR A 28 7.320 3.688 -2.624 1.00 0.00 H new ATOM 0 HB THR A 28 6.611 0.755 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.967 1.549 -1.927 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.863 0.681 -4.717 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.610 1.843 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.212 2.426 -4.729 1.00 0.00 H new ATOM 338 N ILE A 29 4.814 3.838 -2.724 1.00 0.00 N ATOM 339 CA ILE A 29 3.382 4.100 -2.653 1.00 0.00 C ATOM 340 C ILE A 29 2.580 2.920 -3.191 1.00 0.00 C ATOM 341 O ILE A 29 2.923 2.340 -4.222 1.00 0.00 O ATOM 342 CB ILE A 29 3.002 5.367 -3.442 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.405 6.620 -2.662 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.510 5.378 -3.739 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.779 6.702 -1.287 1.00 0.00 C ATOM 0 H ILE A 29 5.289 4.299 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 29 3.140 4.251 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 29 3.541 5.363 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.490 6.642 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.121 7.502 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.257 6.279 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.250 4.500 -4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.952 5.362 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.108 7.615 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.693 6.712 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.084 5.838 -0.696 1.00 0.00 H new ATOM 357 N PHE A 30 1.509 2.569 -2.487 1.00 0.00 N ATOM 358 CA PHE A 30 0.656 1.459 -2.894 1.00 0.00 C ATOM 359 C PHE A 30 -0.817 1.799 -2.686 1.00 0.00 C ATOM 360 O PHE A 30 -1.182 2.461 -1.714 1.00 0.00 O ATOM 361 CB PHE A 30 1.016 0.197 -2.106 1.00 0.00 C ATOM 362 CG PHE A 30 2.124 -0.603 -2.729 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.420 -0.112 -2.755 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.870 -1.845 -3.287 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.441 -0.846 -3.328 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.888 -2.584 -3.861 1.00 0.00 C ATOM 367 CZ PHE A 30 4.175 -2.084 -3.881 1.00 0.00 C ATOM 0 H PHE A 30 1.211 3.038 -1.631 1.00 0.00 H new ATOM 0 HA PHE A 30 0.822 1.277 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.308 0.481 -1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.130 -0.432 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.634 0.854 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.865 -2.241 -3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.447 -0.452 -3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.677 -3.551 -4.293 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.972 -2.659 -4.328 1.00 0.00 H new ATOM 377 N VAL A 31 -1.659 1.342 -3.607 1.00 0.00 N ATOM 378 CA VAL A 31 -3.093 1.596 -3.526 1.00 0.00 C ATOM 379 C VAL A 31 -3.878 0.293 -3.426 1.00 0.00 C ATOM 380 O VAL A 31 -3.506 -0.714 -4.027 1.00 0.00 O ATOM 381 CB VAL A 31 -3.592 2.391 -4.747 1.00 0.00 C ATOM 382 CG1 VAL A 31 -5.077 2.153 -4.969 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.301 3.874 -4.571 1.00 0.00 C ATOM 0 H VAL A 31 -1.373 0.794 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.259 2.186 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.057 2.041 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.411 2.723 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.253 1.091 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.633 2.474 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.660 4.421 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.808 4.241 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.227 4.024 -4.466 1.00 0.00 H new ATOM 393 N ALA A 32 -4.966 0.321 -2.663 1.00 0.00 N ATOM 394 CA ALA A 32 -5.806 -0.857 -2.487 1.00 0.00 C ATOM 395 C ALA A 32 -6.934 -0.885 -3.512 1.00 0.00 C ATOM 396 O ALA A 32 -7.798 -0.007 -3.524 1.00 0.00 O ATOM 397 CB ALA A 32 -6.371 -0.895 -1.075 1.00 0.00 C ATOM 0 H ALA A 32 -5.286 1.147 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.188 -1.741 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.997 -1.780 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.552 -0.931 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.970 -0.001 -0.898 1.00 0.00 H new ATOM 403 N LEU A 33 -6.922 -1.898 -4.371 1.00 0.00 N ATOM 404 CA LEU A 33 -7.945 -2.041 -5.401 1.00 0.00 C ATOM 405 C LEU A 33 -9.185 -2.735 -4.845 1.00 0.00 C ATOM 406 O LEU A 33 -10.306 -2.466 -5.278 1.00 0.00 O ATOM 407 CB LEU A 33 -7.394 -2.831 -6.589 1.00 0.00 C ATOM 408 CG LEU A 33 -5.931 -2.570 -6.948 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.396 -3.674 -7.846 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.781 -1.213 -7.621 1.00 0.00 C ATOM 0 H LEU A 33 -6.215 -2.633 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.229 -1.044 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.512 -3.894 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.007 -2.609 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.347 -2.564 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.353 -3.471 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.467 -4.631 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.983 -3.713 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.733 -1.044 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.378 -1.191 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.124 -0.431 -6.944 1.00 0.00 H new ATOM 422 N TYR A 34 -8.976 -3.626 -3.883 1.00 0.00 N ATOM 423 CA TYR A 34 -10.076 -4.359 -3.267 1.00 0.00 C ATOM 424 C TYR A 34 -10.208 -4.004 -1.789 1.00 0.00 C ATOM 425 O TYR A 34 -9.210 -3.827 -1.090 1.00 0.00 O ATOM 426 CB TYR A 34 -9.864 -5.866 -3.425 1.00 0.00 C ATOM 427 CG TYR A 34 -9.171 -6.248 -4.713 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.832 -6.162 -5.932 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.856 -6.697 -4.711 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.203 -6.512 -7.112 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.219 -7.047 -5.886 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.897 -6.953 -7.083 1.00 0.00 C ATOM 433 OH TYR A 34 -7.266 -7.302 -8.255 1.00 0.00 O ATOM 0 H TYR A 34 -8.055 -3.859 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.998 -4.074 -3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.276 -6.232 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.831 -6.367 -3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.855 -5.816 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.323 -6.774 -3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.731 -6.440 -8.051 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.196 -7.392 -5.867 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.350 -7.590 -8.060 1.00 0.00 H new ATOM 443 N ASP A 35 -11.446 -3.902 -1.321 1.00 0.00 N ATOM 444 CA ASP A 35 -11.711 -3.570 0.075 1.00 0.00 C ATOM 445 C ASP A 35 -11.453 -4.772 0.977 1.00 0.00 C ATOM 446 O ASP A 35 -12.076 -5.823 0.822 1.00 0.00 O ATOM 447 CB ASP A 35 -13.154 -3.091 0.242 1.00 0.00 C ATOM 448 CG ASP A 35 -13.519 -1.999 -0.744 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.571 -2.289 -1.958 1.00 0.00 O ATOM 450 OD2 ASP A 35 -13.754 -0.855 -0.303 1.00 0.00 O ATOM 0 H ASP A 35 -12.283 -4.044 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.034 -2.767 0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.831 -3.935 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.296 -2.722 1.258 1.00 0.00 H new ATOM 455 N TYR A 36 -10.531 -4.611 1.920 1.00 0.00 N ATOM 456 CA TYR A 36 -10.188 -5.684 2.846 1.00 0.00 C ATOM 457 C TYR A 36 -10.502 -5.284 4.284 1.00 0.00 C ATOM 458 O TYR A 36 -10.785 -4.120 4.568 1.00 0.00 O ATOM 459 CB TYR A 36 -8.708 -6.044 2.716 1.00 0.00 C ATOM 460 CG TYR A 36 -8.241 -7.063 3.731 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.534 -8.412 3.575 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.509 -6.676 4.847 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.110 -9.347 4.500 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.080 -7.604 5.776 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.383 -8.938 5.598 1.00 0.00 C ATOM 466 OH TYR A 36 -6.959 -9.865 6.523 1.00 0.00 O ATOM 0 H TYR A 36 -10.008 -3.747 2.063 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.791 -6.556 2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.524 -6.431 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.112 -5.138 2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.103 -8.736 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.272 -5.632 4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.347 -10.392 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.510 -7.287 6.637 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.064 -10.182 6.282 1.00 0.00 H new ATOM 476 N GLU A 37 -10.448 -6.257 5.188 1.00 0.00 N ATOM 477 CA GLU A 37 -10.726 -6.007 6.597 1.00 0.00 C ATOM 478 C GLU A 37 -9.690 -6.688 7.486 1.00 0.00 C ATOM 479 O GLU A 37 -9.532 -7.908 7.450 1.00 0.00 O ATOM 480 CB GLU A 37 -12.128 -6.501 6.959 1.00 0.00 C ATOM 481 CG GLU A 37 -12.767 -5.735 8.105 1.00 0.00 C ATOM 482 CD GLU A 37 -14.282 -5.776 8.062 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.860 -6.803 8.476 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.889 -4.781 7.614 1.00 0.00 O ATOM 0 H GLU A 37 -10.214 -7.226 4.970 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.673 -4.931 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.769 -6.425 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.075 -7.557 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.423 -6.151 9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.434 -4.697 8.073 1.00 0.00 H new ATOM 491 N ALA A 38 -8.985 -5.891 8.282 1.00 0.00 N ATOM 492 CA ALA A 38 -7.965 -6.416 9.181 1.00 0.00 C ATOM 493 C ALA A 38 -8.528 -7.529 10.059 1.00 0.00 C ATOM 494 O ALA A 38 -9.358 -7.284 10.933 1.00 0.00 O ATOM 495 CB ALA A 38 -7.395 -5.299 10.043 1.00 0.00 C ATOM 0 H ALA A 38 -9.102 -4.879 8.322 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.163 -6.837 8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.634 -5.706 10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.948 -4.538 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.194 -4.852 10.634 1.00 0.00 H new ATOM 501 N ARG A 39 -8.070 -8.754 9.819 1.00 0.00 N ATOM 502 CA ARG A 39 -8.529 -9.905 10.586 1.00 0.00 C ATOM 503 C ARG A 39 -8.076 -9.805 12.040 1.00 0.00 C ATOM 504 O ARG A 39 -8.864 -10.013 12.964 1.00 0.00 O ATOM 505 CB ARG A 39 -8.005 -11.201 9.965 1.00 0.00 C ATOM 506 CG ARG A 39 -8.708 -11.586 8.674 1.00 0.00 C ATOM 507 CD ARG A 39 -7.952 -12.676 7.931 1.00 0.00 C ATOM 508 NE ARG A 39 -8.381 -14.013 8.335 1.00 0.00 N ATOM 509 CZ ARG A 39 -7.826 -15.131 7.882 1.00 0.00 C ATOM 510 NH1 ARG A 39 -6.824 -15.074 7.015 1.00 0.00 N ATOM 511 NH2 ARG A 39 -8.272 -16.310 8.296 1.00 0.00 N ATOM 0 H ARG A 39 -7.381 -8.974 9.099 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.619 -9.914 10.563 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.938 -11.095 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.118 -12.011 10.686 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.718 -11.930 8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.804 -10.708 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.103 -12.555 6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.883 -12.567 8.116 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.149 -14.092 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.478 -14.170 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.400 -15.934 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.042 -16.358 8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.845 -17.168 7.947 1.00 0.00 H new ATOM 525 N THR A 40 -6.800 -9.486 12.236 1.00 0.00 N ATOM 526 CA THR A 40 -6.241 -9.360 13.576 1.00 0.00 C ATOM 527 C THR A 40 -5.452 -8.064 13.724 1.00 0.00 C ATOM 528 O THR A 40 -5.019 -7.473 12.734 1.00 0.00 O ATOM 529 CB THR A 40 -5.322 -10.549 13.916 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.128 -10.485 13.129 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.032 -11.871 13.663 1.00 0.00 C ATOM 0 H THR A 40 -6.135 -9.310 11.483 1.00 0.00 H new ATOM 0 HA THR A 40 -7.082 -9.351 14.269 1.00 0.00 H new ATOM 0 HB THR A 40 -5.064 -10.490 14.973 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.365 -10.398 12.182 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.364 -12.696 13.910 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.925 -11.929 14.285 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.316 -11.936 12.613 1.00 0.00 H new ATOM 539 N THR A 41 -5.268 -7.627 14.965 1.00 0.00 N ATOM 540 CA THR A 41 -4.531 -6.400 15.242 1.00 0.00 C ATOM 541 C THR A 41 -3.259 -6.323 14.406 1.00 0.00 C ATOM 542 O THR A 41 -2.862 -5.245 13.963 1.00 0.00 O ATOM 543 CB THR A 41 -4.159 -6.293 16.733 1.00 0.00 C ATOM 544 OG1 THR A 41 -2.918 -6.965 16.978 1.00 0.00 O ATOM 545 CG2 THR A 41 -5.249 -6.894 17.608 1.00 0.00 C ATOM 0 H THR A 41 -5.619 -8.104 15.795 1.00 0.00 H new ATOM 0 HA THR A 41 -5.187 -5.570 14.978 1.00 0.00 H new ATOM 0 HB THR A 41 -4.056 -5.237 16.984 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.688 -6.891 17.928 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.964 -6.807 18.656 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.185 -6.361 17.441 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.381 -7.946 17.354 1.00 0.00 H new ATOM 553 N GLU A 42 -2.625 -7.472 14.192 1.00 0.00 N ATOM 554 CA GLU A 42 -1.397 -7.532 13.408 1.00 0.00 C ATOM 555 C GLU A 42 -1.647 -7.086 11.970 1.00 0.00 C ATOM 556 O GLU A 42 -0.811 -6.417 11.362 1.00 0.00 O ATOM 557 CB GLU A 42 -0.826 -8.951 13.421 1.00 0.00 C ATOM 558 CG GLU A 42 -0.615 -9.510 14.819 1.00 0.00 C ATOM 559 CD GLU A 42 0.759 -9.190 15.373 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.761 -9.543 14.717 1.00 0.00 O ATOM 561 OE2 GLU A 42 0.832 -8.586 16.464 1.00 0.00 O ATOM 0 H GLU A 42 -2.941 -8.373 14.550 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.674 -6.853 13.860 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.500 -9.610 12.873 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.126 -8.955 12.890 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.375 -9.105 15.487 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.752 -10.591 14.799 1.00 0.00 H new ATOM 568 N ASP A 43 -2.803 -7.461 11.434 1.00 0.00 N ATOM 569 CA ASP A 43 -3.165 -7.100 10.068 1.00 0.00 C ATOM 570 C ASP A 43 -3.551 -5.627 9.980 1.00 0.00 C ATOM 571 O ASP A 43 -3.977 -5.025 10.967 1.00 0.00 O ATOM 572 CB ASP A 43 -4.319 -7.974 9.575 1.00 0.00 C ATOM 573 CG ASP A 43 -3.938 -9.438 9.481 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.774 -10.077 10.541 1.00 0.00 O ATOM 575 OD2 ASP A 43 -3.803 -9.944 8.347 1.00 0.00 O ATOM 0 H ASP A 43 -3.505 -8.015 11.924 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.296 -7.268 9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.167 -7.865 10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.644 -7.623 8.596 1.00 0.00 H new ATOM 580 N LEU A 44 -3.400 -5.051 8.792 1.00 0.00 N ATOM 581 CA LEU A 44 -3.732 -3.647 8.575 1.00 0.00 C ATOM 582 C LEU A 44 -5.083 -3.509 7.879 1.00 0.00 C ATOM 583 O LEU A 44 -5.331 -4.141 6.853 1.00 0.00 O ATOM 584 CB LEU A 44 -2.644 -2.968 7.741 1.00 0.00 C ATOM 585 CG LEU A 44 -2.430 -1.477 8.003 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.811 -0.805 6.787 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.745 -0.806 8.373 1.00 0.00 C ATOM 0 H LEU A 44 -3.050 -5.534 7.965 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.793 -3.159 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.702 -3.486 7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.887 -3.100 6.687 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.742 -1.370 8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.666 0.256 6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.849 -1.267 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.474 -0.922 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.573 0.255 8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.456 -0.923 7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.149 -1.269 9.273 1.00 0.00 H new ATOM 599 N SER A 45 -5.951 -2.676 8.444 1.00 0.00 N ATOM 600 CA SER A 45 -7.277 -2.455 7.879 1.00 0.00 C ATOM 601 C SER A 45 -7.230 -1.401 6.778 1.00 0.00 C ATOM 602 O SER A 45 -6.943 -0.231 7.034 1.00 0.00 O ATOM 603 CB SER A 45 -8.255 -2.023 8.973 1.00 0.00 C ATOM 604 OG SER A 45 -7.856 -0.795 9.557 1.00 0.00 O ATOM 0 H SER A 45 -5.760 -2.143 9.292 1.00 0.00 H new ATOM 0 HA SER A 45 -7.621 -3.394 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.255 -1.921 8.552 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.310 -2.794 9.741 1.00 0.00 H new ATOM 0 HG SER A 45 -8.498 -0.539 10.252 1.00 0.00 H new ATOM 610 N PHE A 46 -7.513 -1.824 5.550 1.00 0.00 N ATOM 611 CA PHE A 46 -7.503 -0.918 4.408 1.00 0.00 C ATOM 612 C PHE A 46 -8.759 -1.096 3.560 1.00 0.00 C ATOM 613 O PHE A 46 -9.450 -2.111 3.659 1.00 0.00 O ATOM 614 CB PHE A 46 -6.258 -1.157 3.551 1.00 0.00 C ATOM 615 CG PHE A 46 -6.114 -2.578 3.087 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.497 -3.524 3.889 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.596 -2.968 1.847 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.363 -4.832 3.463 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.465 -4.274 1.416 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.849 -5.208 2.226 1.00 0.00 C ATOM 0 H PHE A 46 -7.752 -2.789 5.321 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.484 0.104 4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.294 -0.501 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.373 -0.879 4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.116 -3.236 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.080 -2.242 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.878 -5.560 4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.844 -4.564 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.748 -6.230 1.893 1.00 0.00 H new ATOM 630 N LYS A 47 -9.049 -0.103 2.727 1.00 0.00 N ATOM 631 CA LYS A 47 -10.221 -0.148 1.861 1.00 0.00 C ATOM 632 C LYS A 47 -9.841 0.156 0.415 1.00 0.00 C ATOM 633 O LYS A 47 -8.743 0.641 0.140 1.00 0.00 O ATOM 634 CB LYS A 47 -11.276 0.850 2.342 1.00 0.00 C ATOM 635 CG LYS A 47 -11.907 0.474 3.672 1.00 0.00 C ATOM 636 CD LYS A 47 -12.930 -0.637 3.510 1.00 0.00 C ATOM 637 CE LYS A 47 -13.662 -0.916 4.814 1.00 0.00 C ATOM 638 NZ LYS A 47 -12.879 -1.813 5.708 1.00 0.00 N ATOM 0 H LYS A 47 -8.488 0.744 2.633 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.636 -1.155 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.818 1.835 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.059 0.930 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.130 0.156 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.386 1.350 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.650 -0.361 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.432 -1.545 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.861 0.025 5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.628 -1.372 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.530 -2.388 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.279 -2.438 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.280 -1.240 6.336 1.00 0.00 H new ATOM 652 N LYS A 48 -10.755 -0.130 -0.505 1.00 0.00 N ATOM 653 CA LYS A 48 -10.518 0.115 -1.923 1.00 0.00 C ATOM 654 C LYS A 48 -10.368 1.608 -2.199 1.00 0.00 C ATOM 655 O LYS A 48 -11.337 2.362 -2.129 1.00 0.00 O ATOM 656 CB LYS A 48 -11.665 -0.456 -2.760 1.00 0.00 C ATOM 657 CG LYS A 48 -11.662 0.021 -4.202 1.00 0.00 C ATOM 658 CD LYS A 48 -12.680 -0.734 -5.041 1.00 0.00 C ATOM 659 CE LYS A 48 -12.758 -0.179 -6.454 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.430 -1.127 -7.386 1.00 0.00 N ATOM 0 H LYS A 48 -11.668 -0.532 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.590 -0.384 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.607 -1.544 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.613 -0.181 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.882 1.088 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.668 -0.112 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.412 -1.790 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.661 -0.671 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.301 0.766 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.752 0.035 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.463 -0.712 -8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.898 -2.020 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.398 -1.312 -7.055 1.00 0.00 H new ATOM 674 N GLY A 49 -9.146 2.026 -2.515 1.00 0.00 N ATOM 675 CA GLY A 49 -8.892 3.427 -2.798 1.00 0.00 C ATOM 676 C GLY A 49 -8.137 4.117 -1.680 1.00 0.00 C ATOM 677 O GLY A 49 -8.213 5.336 -1.532 1.00 0.00 O ATOM 0 H GLY A 49 -8.328 1.420 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.321 3.510 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.840 3.939 -2.962 1.00 0.00 H new ATOM 681 N GLU A 50 -7.407 3.335 -0.890 1.00 0.00 N ATOM 682 CA GLU A 50 -6.637 3.880 0.222 1.00 0.00 C ATOM 683 C GLU A 50 -5.143 3.643 0.017 1.00 0.00 C ATOM 684 O GLU A 50 -4.727 2.565 -0.408 1.00 0.00 O ATOM 685 CB GLU A 50 -7.088 3.249 1.541 1.00 0.00 C ATOM 686 CG GLU A 50 -6.823 4.122 2.755 1.00 0.00 C ATOM 687 CD GLU A 50 -7.347 3.510 4.040 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.213 2.614 3.960 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.890 3.927 5.125 1.00 0.00 O ATOM 0 H GLU A 50 -7.333 2.324 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.815 4.955 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.155 3.034 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.577 2.295 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.750 4.291 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.288 5.097 2.605 1.00 0.00 H new ATOM 696 N ARG A 51 -4.342 4.659 0.322 1.00 0.00 N ATOM 697 CA ARG A 51 -2.895 4.563 0.169 1.00 0.00 C ATOM 698 C ARG A 51 -2.240 4.111 1.472 1.00 0.00 C ATOM 699 O ARG A 51 -2.814 4.258 2.551 1.00 0.00 O ATOM 700 CB ARG A 51 -2.316 5.911 -0.264 1.00 0.00 C ATOM 701 CG ARG A 51 -2.704 6.314 -1.678 1.00 0.00 C ATOM 702 CD ARG A 51 -1.629 7.171 -2.327 1.00 0.00 C ATOM 703 NE ARG A 51 -2.048 7.681 -3.630 1.00 0.00 N ATOM 704 CZ ARG A 51 -2.851 8.727 -3.786 1.00 0.00 C ATOM 705 NH1 ARG A 51 -3.319 9.371 -2.726 1.00 0.00 N ATOM 706 NH2 ARG A 51 -3.188 9.131 -5.004 1.00 0.00 N ATOM 0 H ARG A 51 -4.670 5.557 0.676 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.684 3.821 -0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.653 6.681 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.229 5.870 -0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.871 5.420 -2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.645 6.864 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.387 8.007 -1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.718 6.583 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.705 7.208 -4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.062 9.063 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.936 10.174 -2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.830 8.638 -5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.805 9.935 -5.122 1.00 0.00 H new ATOM 720 N PHE A 52 -1.035 3.561 1.362 1.00 0.00 N ATOM 721 CA PHE A 52 -0.303 3.087 2.530 1.00 0.00 C ATOM 722 C PHE A 52 1.198 3.056 2.256 1.00 0.00 C ATOM 723 O PHE A 52 1.633 2.651 1.178 1.00 0.00 O ATOM 724 CB PHE A 52 -0.788 1.692 2.931 1.00 0.00 C ATOM 725 CG PHE A 52 -2.281 1.591 3.062 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.066 1.273 1.966 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.898 1.815 4.282 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.440 1.179 2.084 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.272 1.722 4.406 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.044 1.405 3.305 1.00 0.00 C ATOM 0 H PHE A 52 -0.545 3.433 0.476 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.491 3.780 3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.447 0.970 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.328 1.415 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.599 1.096 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.299 2.065 5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.041 0.929 1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.741 1.897 5.363 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.118 1.334 3.399 1.00 0.00 H new ATOM 740 N GLN A 53 1.982 3.489 3.238 1.00 0.00 N ATOM 741 CA GLN A 53 3.433 3.513 3.102 1.00 0.00 C ATOM 742 C GLN A 53 4.032 2.145 3.414 1.00 0.00 C ATOM 743 O GLN A 53 4.010 1.695 4.560 1.00 0.00 O ATOM 744 CB GLN A 53 4.036 4.570 4.028 1.00 0.00 C ATOM 745 CG GLN A 53 4.087 5.960 3.413 1.00 0.00 C ATOM 746 CD GLN A 53 4.290 7.049 4.448 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.944 6.882 5.618 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.853 8.173 4.022 1.00 0.00 N ATOM 0 H GLN A 53 1.637 3.828 4.136 1.00 0.00 H new ATOM 0 HA GLN A 53 3.671 3.767 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.453 4.610 4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.046 4.266 4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.897 6.001 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.160 6.148 2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.124 8.268 3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.014 8.941 4.673 1.00 0.00 H new ATOM 757 N ILE A 54 4.565 1.490 2.389 1.00 0.00 N ATOM 758 CA ILE A 54 5.170 0.174 2.555 1.00 0.00 C ATOM 759 C ILE A 54 6.439 0.255 3.396 1.00 0.00 C ATOM 760 O ILE A 54 7.477 0.725 2.929 1.00 0.00 O ATOM 761 CB ILE A 54 5.508 -0.466 1.196 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.267 -0.504 0.302 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.068 -1.867 1.394 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.132 -1.321 0.879 1.00 0.00 C ATOM 0 H ILE A 54 4.590 1.849 1.434 1.00 0.00 H new ATOM 0 HA ILE A 54 4.436 -0.448 3.067 1.00 0.00 H new ATOM 0 HB ILE A 54 6.268 0.142 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.920 0.515 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.542 -0.914 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.302 -2.306 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.975 -1.815 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.329 -2.486 1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.286 -1.304 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.461 -2.350 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.830 -0.899 1.837 1.00 0.00 H new ATOM 776 N ILE A 55 6.349 -0.208 4.639 1.00 0.00 N ATOM 777 CA ILE A 55 7.492 -0.190 5.544 1.00 0.00 C ATOM 778 C ILE A 55 8.392 -1.400 5.316 1.00 0.00 C ATOM 779 O ILE A 55 9.608 -1.265 5.190 1.00 0.00 O ATOM 780 CB ILE A 55 7.042 -0.169 7.017 1.00 0.00 C ATOM 781 CG1 ILE A 55 6.028 0.953 7.248 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.244 -0.002 7.935 1.00 0.00 C ATOM 783 CD1 ILE A 55 5.093 0.694 8.409 1.00 0.00 C ATOM 0 H ILE A 55 5.498 -0.600 5.042 1.00 0.00 H new ATOM 0 HA ILE A 55 8.051 0.721 5.330 1.00 0.00 H new ATOM 0 HB ILE A 55 6.562 -1.120 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.564 1.885 7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.439 1.091 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.910 0.011 8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.934 -0.833 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.750 0.936 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.402 1.531 8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.530 -0.221 8.225 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.673 0.585 9.326 1.00 0.00 H new ATOM 795 N ASN A 56 7.785 -2.581 5.264 1.00 0.00 N ATOM 796 CA ASN A 56 8.532 -3.815 5.049 1.00 0.00 C ATOM 797 C ASN A 56 7.865 -4.677 3.981 1.00 0.00 C ATOM 798 O ASN A 56 6.676 -4.983 4.070 1.00 0.00 O ATOM 799 CB ASN A 56 8.645 -4.601 6.357 1.00 0.00 C ATOM 800 CG ASN A 56 9.905 -5.443 6.419 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.471 -5.809 5.389 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.349 -5.755 7.631 1.00 0.00 N ATOM 0 H ASN A 56 6.778 -2.710 5.368 1.00 0.00 H new ATOM 0 HA ASN A 56 9.531 -3.550 4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.634 -3.907 7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.774 -5.247 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.192 -6.320 7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.847 -5.430 8.457 1.00 0.00 H new ATOM 809 N ASN A 57 8.638 -5.064 2.973 1.00 0.00 N ATOM 810 CA ASN A 57 8.122 -5.891 1.888 1.00 0.00 C ATOM 811 C ASN A 57 8.999 -7.122 1.677 1.00 0.00 C ATOM 812 O ASN A 57 9.332 -7.475 0.546 1.00 0.00 O ATOM 813 CB ASN A 57 8.045 -5.079 0.593 1.00 0.00 C ATOM 814 CG ASN A 57 9.403 -4.573 0.146 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.030 -5.148 -0.744 1.00 0.00 O ATOM 816 ND2 ASN A 57 9.864 -3.492 0.764 1.00 0.00 N ATOM 0 H ASN A 57 9.624 -4.819 2.884 1.00 0.00 H new ATOM 0 HA ASN A 57 7.121 -6.223 2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.613 -5.696 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.374 -4.232 0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.772 -3.106 0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.310 -3.048 1.496 1.00 0.00 H new ATOM 823 N THR A 58 9.369 -7.773 2.776 1.00 0.00 N ATOM 824 CA THR A 58 10.206 -8.964 2.713 1.00 0.00 C ATOM 825 C THR A 58 9.411 -10.170 2.226 1.00 0.00 C ATOM 826 O THR A 58 9.827 -10.864 1.299 1.00 0.00 O ATOM 827 CB THR A 58 10.822 -9.290 4.087 1.00 0.00 C ATOM 828 OG1 THR A 58 11.640 -10.462 3.991 1.00 0.00 O ATOM 829 CG2 THR A 58 9.736 -9.508 5.129 1.00 0.00 C ATOM 0 H THR A 58 9.102 -7.495 3.720 1.00 0.00 H new ATOM 0 HA THR A 58 11.007 -8.751 2.005 1.00 0.00 H new ATOM 0 HB THR A 58 11.435 -8.443 4.396 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.029 -10.662 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.195 -9.737 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.133 -8.605 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.100 -10.339 4.824 1.00 0.00 H new ATOM 837 N GLU A 59 8.266 -10.412 2.856 1.00 0.00 N ATOM 838 CA GLU A 59 7.414 -11.536 2.485 1.00 0.00 C ATOM 839 C GLU A 59 6.233 -11.067 1.640 1.00 0.00 C ATOM 840 O GLU A 59 5.416 -10.263 2.087 1.00 0.00 O ATOM 841 CB GLU A 59 6.906 -12.254 3.737 1.00 0.00 C ATOM 842 CG GLU A 59 6.273 -11.324 4.758 1.00 0.00 C ATOM 843 CD GLU A 59 5.483 -12.070 5.816 1.00 0.00 C ATOM 844 OE1 GLU A 59 6.093 -12.867 6.559 1.00 0.00 O ATOM 845 OE2 GLU A 59 4.256 -11.857 5.901 1.00 0.00 O ATOM 0 H GLU A 59 7.907 -9.846 3.625 1.00 0.00 H new ATOM 0 HA GLU A 59 8.009 -12.231 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.175 -13.007 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.737 -12.782 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.053 -10.735 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.615 -10.622 4.246 1.00 0.00 H new ATOM 852 N GLY A 60 6.151 -11.575 0.414 1.00 0.00 N ATOM 853 CA GLY A 60 5.068 -11.197 -0.475 1.00 0.00 C ATOM 854 C GLY A 60 3.703 -11.439 0.138 1.00 0.00 C ATOM 855 O GLY A 60 2.788 -10.634 -0.031 1.00 0.00 O ATOM 0 H GLY A 60 6.815 -12.242 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.165 -10.142 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.151 -11.761 -1.404 1.00 0.00 H new ATOM 859 N ASP A 61 3.566 -12.553 0.850 1.00 0.00 N ATOM 860 CA ASP A 61 2.302 -12.900 1.489 1.00 0.00 C ATOM 861 C ASP A 61 1.639 -11.664 2.088 1.00 0.00 C ATOM 862 O ASP A 61 0.511 -11.319 1.734 1.00 0.00 O ATOM 863 CB ASP A 61 2.529 -13.950 2.578 1.00 0.00 C ATOM 864 CG ASP A 61 3.536 -15.005 2.164 1.00 0.00 C ATOM 865 OD1 ASP A 61 3.123 -16.011 1.549 1.00 0.00 O ATOM 866 OD2 ASP A 61 4.737 -14.824 2.454 1.00 0.00 O ATOM 0 H ASP A 61 4.314 -13.230 0.999 1.00 0.00 H new ATOM 0 HA ASP A 61 1.639 -13.313 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.876 -13.458 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.581 -14.431 2.818 1.00 0.00 H new ATOM 871 N TRP A 62 2.345 -11.002 2.997 1.00 0.00 N ATOM 872 CA TRP A 62 1.823 -9.804 3.647 1.00 0.00 C ATOM 873 C TRP A 62 2.933 -8.784 3.880 1.00 0.00 C ATOM 874 O TRP A 62 3.999 -9.121 4.395 1.00 0.00 O ATOM 875 CB TRP A 62 1.160 -10.168 4.976 1.00 0.00 C ATOM 876 CG TRP A 62 0.076 -11.193 4.838 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.236 -12.529 4.605 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.335 -10.965 4.922 1.00 0.00 C ATOM 879 NE1 TRP A 62 -0.990 -13.145 4.540 1.00 0.00 N ATOM 880 CE2 TRP A 62 -1.970 -12.208 4.732 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.124 -9.832 5.142 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.356 -12.346 4.754 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.499 -9.972 5.163 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.103 -11.221 4.971 1.00 0.00 C ATOM 0 H TRP A 62 3.280 -11.274 3.301 1.00 0.00 H new ATOM 0 HA TRP A 62 1.078 -9.358 2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.920 -10.543 5.662 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.743 -9.266 5.425 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.187 -13.028 4.489 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.145 -14.140 4.375 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.667 -8.865 5.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.824 -13.308 4.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.118 -9.103 5.330 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.180 -11.297 4.995 1.00 0.00 H new ATOM 895 N TRP A 63 2.675 -7.539 3.498 1.00 0.00 N ATOM 896 CA TRP A 63 3.653 -6.470 3.667 1.00 0.00 C ATOM 897 C TRP A 63 3.218 -5.502 4.761 1.00 0.00 C ATOM 898 O TRP A 63 2.033 -5.205 4.904 1.00 0.00 O ATOM 899 CB TRP A 63 3.848 -5.717 2.350 1.00 0.00 C ATOM 900 CG TRP A 63 4.485 -6.549 1.278 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.332 -7.605 1.456 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.327 -6.392 -0.136 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.711 -8.114 0.237 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.107 -7.388 -0.756 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.601 -5.508 -0.939 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.181 -7.522 -2.139 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.675 -5.642 -2.313 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.460 -6.643 -2.902 1.00 0.00 C ATOM 0 H TRP A 63 1.798 -7.244 3.069 1.00 0.00 H new ATOM 0 HA TRP A 63 4.600 -6.921 3.963 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.880 -5.361 1.997 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.465 -4.837 2.531 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.656 -7.984 2.414 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.340 -8.904 0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 63 2.993 -4.734 -0.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.786 -8.292 -2.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.119 -4.964 -2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.497 -6.722 -3.978 1.00 0.00 H new ATOM 919 N GLU A 64 4.185 -5.012 5.531 1.00 0.00 N ATOM 920 CA GLU A 64 3.900 -4.078 6.613 1.00 0.00 C ATOM 921 C GLU A 64 3.902 -2.639 6.104 1.00 0.00 C ATOM 922 O GLU A 64 4.915 -2.146 5.609 1.00 0.00 O ATOM 923 CB GLU A 64 4.927 -4.234 7.736 1.00 0.00 C ATOM 924 CG GLU A 64 4.609 -3.409 8.972 1.00 0.00 C ATOM 925 CD GLU A 64 5.284 -3.943 10.220 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.495 -4.241 10.160 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.600 -4.063 11.258 1.00 0.00 O ATOM 0 H GLU A 64 5.172 -5.247 5.425 1.00 0.00 H new ATOM 0 HA GLU A 64 2.908 -4.306 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.988 -5.285 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.909 -3.947 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.923 -2.378 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.530 -3.393 9.126 1.00 0.00 H new ATOM 934 N ALA A 65 2.760 -1.972 6.229 1.00 0.00 N ATOM 935 CA ALA A 65 2.629 -0.590 5.784 1.00 0.00 C ATOM 936 C ALA A 65 1.935 0.264 6.839 1.00 0.00 C ATOM 937 O ALA A 65 1.288 -0.259 7.747 1.00 0.00 O ATOM 938 CB ALA A 65 1.867 -0.529 4.468 1.00 0.00 C ATOM 0 H ALA A 65 1.911 -2.366 6.635 1.00 0.00 H new ATOM 0 HA ALA A 65 3.630 -0.188 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.777 0.509 4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.405 -1.097 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.873 -0.955 4.603 1.00 0.00 H new ATOM 944 N ARG A 66 2.075 1.580 6.715 1.00 0.00 N ATOM 945 CA ARG A 66 1.462 2.506 7.660 1.00 0.00 C ATOM 946 C ARG A 66 0.582 3.520 6.934 1.00 0.00 C ATOM 947 O ARG A 66 1.081 4.466 6.325 1.00 0.00 O ATOM 948 CB ARG A 66 2.540 3.234 8.465 1.00 0.00 C ATOM 949 CG ARG A 66 1.982 4.219 9.479 1.00 0.00 C ATOM 950 CD ARG A 66 2.977 5.327 9.785 1.00 0.00 C ATOM 951 NE ARG A 66 2.779 5.887 11.119 1.00 0.00 N ATOM 952 CZ ARG A 66 3.230 5.316 12.230 1.00 0.00 C ATOM 953 NH1 ARG A 66 3.902 4.175 12.168 1.00 0.00 N ATOM 954 NH2 ARG A 66 3.010 5.888 13.408 1.00 0.00 N ATOM 0 H ARG A 66 2.607 2.029 5.970 1.00 0.00 H new ATOM 0 HA ARG A 66 0.836 1.930 8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.152 2.498 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.197 3.766 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.059 4.653 9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.729 3.692 10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.991 4.936 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.879 6.118 9.042 1.00 0.00 H new ATOM 0 HE ARG A 66 2.266 6.765 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.074 3.733 11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.247 3.739 13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.494 6.766 13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.357 5.449 14.261 1.00 0.00 H new ATOM 968 N SER A 67 -0.729 3.315 7.004 1.00 0.00 N ATOM 969 CA SER A 67 -1.678 4.209 6.351 1.00 0.00 C ATOM 970 C SER A 67 -1.261 5.666 6.524 1.00 0.00 C ATOM 971 O SER A 67 -0.787 6.064 7.589 1.00 0.00 O ATOM 972 CB SER A 67 -3.083 3.998 6.918 1.00 0.00 C ATOM 973 OG SER A 67 -3.309 2.634 7.229 1.00 0.00 O ATOM 0 H SER A 67 -1.158 2.538 7.506 1.00 0.00 H new ATOM 0 HA SER A 67 -1.685 3.976 5.286 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.211 4.605 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.825 4.337 6.195 1.00 0.00 H new ATOM 0 HG SER A 67 -3.331 2.109 6.402 1.00 0.00 H new ATOM 979 N ILE A 68 -1.439 6.455 5.470 1.00 0.00 N ATOM 980 CA ILE A 68 -1.082 7.868 5.505 1.00 0.00 C ATOM 981 C ILE A 68 -2.279 8.728 5.897 1.00 0.00 C ATOM 982 O ILE A 68 -2.122 9.794 6.490 1.00 0.00 O ATOM 983 CB ILE A 68 -0.544 8.347 4.144 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.338 7.268 3.512 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.233 9.644 4.309 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.586 7.479 2.035 1.00 0.00 C ATOM 0 H ILE A 68 -1.828 6.140 4.581 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.298 7.977 6.255 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.389 8.534 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.295 7.242 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.131 6.295 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.607 9.970 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.423 10.411 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.072 9.482 4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.218 6.677 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.365 7.476 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.084 8.437 1.883 1.00 0.00 H new ATOM 998 N ALA A 69 -3.475 8.255 5.563 1.00 0.00 N ATOM 999 CA ALA A 69 -4.700 8.978 5.883 1.00 0.00 C ATOM 1000 C ALA A 69 -5.051 8.836 7.360 1.00 0.00 C ATOM 1001 O ALA A 69 -4.984 9.802 8.121 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.847 8.483 5.015 1.00 0.00 C ATOM 0 H ALA A 69 -3.622 7.374 5.071 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.533 10.035 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.755 9.032 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.604 8.643 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.005 7.419 5.193 1.00 0.00 H new ATOM 1008 N THR A 70 -5.427 7.625 7.760 1.00 0.00 N ATOM 1009 CA THR A 70 -5.791 7.357 9.146 1.00 0.00 C ATOM 1010 C THR A 70 -4.554 7.283 10.034 1.00 0.00 C ATOM 1011 O THR A 70 -4.588 7.687 11.196 1.00 0.00 O ATOM 1012 CB THR A 70 -6.581 6.041 9.274 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.761 4.936 8.875 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.840 6.080 8.421 1.00 0.00 C ATOM 0 H THR A 70 -5.487 6.814 7.144 1.00 0.00 H new ATOM 0 HA THR A 70 -6.421 8.184 9.474 1.00 0.00 H new ATOM 0 HB THR A 70 -6.872 5.918 10.317 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.250 4.381 8.232 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.381 5.140 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.475 6.903 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.567 6.225 7.376 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.462 6.765 9.480 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.230 6.648 10.238 1.00 0.00 C ATOM 1024 C GLY A 71 -2.087 5.296 10.907 1.00 0.00 C ATOM 1025 O GLY A 71 -1.290 5.134 11.832 1.00 0.00 O ATOM 0 H GLY A 71 -3.409 6.424 8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.381 6.813 9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.198 7.430 10.996 1.00 0.00 H new ATOM 1029 N LYS A 72 -2.861 4.322 10.442 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.818 2.976 11.001 1.00 0.00 C ATOM 1031 C LYS A 72 -1.569 2.234 10.538 1.00 0.00 C ATOM 1032 O LYS A 72 -0.813 2.731 9.703 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.069 2.193 10.596 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.334 2.667 11.290 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.492 1.713 11.051 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.284 2.097 9.810 1.00 0.00 C ATOM 1037 NZ LYS A 72 -6.575 1.714 8.558 1.00 0.00 N ATOM 0 H LYS A 72 -3.527 4.440 9.678 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.786 3.062 12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.204 2.273 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.915 1.137 10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.151 2.757 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.599 3.660 10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.111 0.698 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.151 1.714 11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.260 1.612 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.463 3.172 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.287 2.572 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.732 1.153 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.210 1.149 7.958 1.00 0.00 H new ATOM 1051 N SER A 73 -1.358 1.040 11.084 1.00 0.00 N ATOM 1052 CA SER A 73 -0.199 0.230 10.728 1.00 0.00 C ATOM 1053 C SER A 73 -0.466 -1.247 10.996 1.00 0.00 C ATOM 1054 O SER A 73 -1.058 -1.608 12.012 1.00 0.00 O ATOM 1055 CB SER A 73 1.031 0.689 11.514 1.00 0.00 C ATOM 1056 OG SER A 73 0.740 0.801 12.896 1.00 0.00 O ATOM 0 H SER A 73 -1.975 0.612 11.775 1.00 0.00 H new ATOM 0 HA SER A 73 -0.009 0.359 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.846 -0.020 11.367 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.373 1.651 11.132 1.00 0.00 H new ATOM 0 HG SER A 73 1.542 1.094 13.377 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.023 -2.099 10.076 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.223 -3.528 10.231 1.00 0.00 C ATOM 1064 C GLY A 74 0.353 -4.322 9.075 1.00 0.00 C ATOM 1065 O GLY A 74 1.478 -4.072 8.641 1.00 0.00 O ATOM 0 H GLY A 74 0.471 -1.825 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.240 -3.858 11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.290 -3.736 10.315 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.417 -5.283 8.578 1.00 0.00 N ATOM 1070 CA TYR A 75 0.025 -6.120 7.468 1.00 0.00 C ATOM 1071 C TYR A 75 -1.056 -6.220 6.397 1.00 0.00 C ATOM 1072 O TYR A 75 -2.213 -6.520 6.694 1.00 0.00 O ATOM 1073 CB TYR A 75 0.393 -7.517 7.971 1.00 0.00 C ATOM 1074 CG TYR A 75 1.453 -7.513 9.049 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.649 -6.829 8.871 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.259 -8.195 10.244 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.621 -6.823 9.853 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.225 -8.193 11.231 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.404 -7.506 11.031 1.00 0.00 C ATOM 1080 OH TYR A 75 4.369 -7.504 12.012 1.00 0.00 O ATOM 0 H TYR A 75 -1.350 -5.502 8.926 1.00 0.00 H new ATOM 0 HA TYR A 75 0.907 -5.657 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.503 -8.003 8.356 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.744 -8.116 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.822 -6.293 7.950 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.338 -8.736 10.404 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.545 -6.286 9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.058 -8.727 12.155 1.00 0.00 H new ATOM 0 HH TYR A 75 4.058 -8.031 12.778 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.671 -5.968 5.151 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.606 -6.032 4.034 1.00 0.00 C ATOM 1092 C ILE A 76 -1.098 -6.970 2.945 1.00 0.00 C ATOM 1093 O ILE A 76 0.093 -7.016 2.636 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.850 -4.639 3.424 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.525 -4.008 2.993 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.570 -3.743 4.421 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.693 -2.718 2.220 1.00 0.00 C ATOM 0 H ILE A 76 0.282 -5.717 4.889 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.546 -6.416 4.431 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.482 -4.750 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.081 -3.815 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.025 -4.721 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.735 -2.762 3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.529 -4.189 4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.962 -3.636 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.287 -2.327 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.272 -2.908 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.215 -1.988 2.839 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.022 -7.735 2.345 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.692 -8.685 1.278 1.00 0.00 C ATOM 1111 C PRO A 77 -1.290 -7.986 -0.016 1.00 0.00 C ATOM 1112 O PRO A 77 -2.041 -7.171 -0.551 1.00 0.00 O ATOM 1113 CB PRO A 77 -2.994 -9.465 1.083 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.064 -8.538 1.546 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.460 -7.733 2.663 1.00 0.00 C ATOM 0 HA PRO A 77 -0.839 -9.312 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.136 -9.743 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.993 -10.389 1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.398 -7.891 0.735 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.937 -9.091 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.864 -6.721 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.657 -8.184 3.636 1.00 0.00 H new ATOM 1123 N SER A 78 -0.101 -8.311 -0.514 1.00 0.00 N ATOM 1124 CA SER A 78 0.402 -7.711 -1.744 1.00 0.00 C ATOM 1125 C SER A 78 -0.403 -8.188 -2.949 1.00 0.00 C ATOM 1126 O SER A 78 -0.172 -7.751 -4.076 1.00 0.00 O ATOM 1127 CB SER A 78 1.880 -8.055 -1.936 1.00 0.00 C ATOM 1128 OG SER A 78 2.055 -9.440 -2.178 1.00 0.00 O ATOM 0 H SER A 78 0.532 -8.986 -0.085 1.00 0.00 H new ATOM 0 HA SER A 78 0.295 -6.629 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.284 -7.483 -2.771 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.442 -7.764 -1.049 1.00 0.00 H new ATOM 0 HG SER A 78 2.083 -9.920 -1.324 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.350 -9.087 -2.702 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.190 -9.624 -3.767 1.00 0.00 C ATOM 1136 C ASN A 79 -3.446 -8.777 -3.948 1.00 0.00 C ATOM 1137 O ASN A 79 -4.258 -9.035 -4.838 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.578 -11.072 -3.457 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.381 -11.923 -3.081 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.242 -11.596 -3.416 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.634 -13.022 -2.380 1.00 0.00 N ATOM 0 H ASN A 79 -1.555 -9.459 -1.775 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.619 -9.598 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.300 -11.085 -2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.071 -11.507 -4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.869 -13.634 -2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.594 -13.254 -2.124 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.599 -7.767 -3.100 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.756 -6.882 -3.165 1.00 0.00 C ATOM 1150 C TYR A 80 -4.330 -5.447 -3.458 1.00 0.00 C ATOM 1151 O TYR A 80 -5.036 -4.704 -4.140 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.540 -6.936 -1.853 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.618 -7.996 -1.834 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.361 -9.285 -2.285 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.893 -7.709 -1.363 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.343 -10.256 -2.270 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.881 -8.675 -1.343 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.601 -9.946 -1.798 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.582 -10.912 -1.780 1.00 0.00 O ATOM 0 H TYR A 80 -2.936 -7.540 -2.359 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.397 -7.224 -3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.846 -7.121 -1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.996 -5.963 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.376 -9.532 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.116 -6.714 -1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.127 -11.252 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.867 -8.436 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.409 -10.532 -1.417 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.168 -5.064 -2.938 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.644 -3.719 -3.143 1.00 0.00 C ATOM 1171 C VAL A 81 -1.539 -3.714 -4.193 1.00 0.00 C ATOM 1172 O VAL A 81 -0.746 -4.652 -4.280 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.095 -3.124 -1.833 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.193 -3.040 -0.783 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.922 -3.949 -1.325 1.00 0.00 C ATOM 0 H VAL A 81 -2.571 -5.667 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.475 -3.106 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.740 -2.113 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.786 -2.617 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.999 -2.404 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.581 -4.038 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.546 -3.515 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.250 -4.972 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.129 -3.952 -2.072 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.491 -2.651 -4.990 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.482 -2.523 -6.034 1.00 0.00 C ATOM 1187 C VAL A 82 0.145 -1.133 -6.024 1.00 0.00 C ATOM 1188 O VAL A 82 -0.469 -0.151 -5.606 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.078 -2.795 -7.428 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.101 -3.919 -7.361 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.701 -1.529 -7.997 1.00 0.00 C ATOM 0 H VAL A 82 -2.140 -1.866 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 82 0.286 -3.267 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.273 -3.107 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.511 -4.097 -8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.620 -4.828 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.906 -3.639 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.117 -1.739 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.494 -1.184 -7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.938 -0.755 -8.083 1.00 0.00 H new ATOM 1201 N PRO A 83 1.398 -1.046 -6.496 1.00 0.00 N ATOM 1202 CA PRO A 83 2.136 0.220 -6.553 1.00 0.00 C ATOM 1203 C PRO A 83 1.571 1.173 -7.600 1.00 0.00 C ATOM 1204 O PRO A 83 1.281 0.772 -8.726 1.00 0.00 O ATOM 1205 CB PRO A 83 3.554 -0.214 -6.934 1.00 0.00 C ATOM 1206 CG PRO A 83 3.375 -1.507 -7.651 1.00 0.00 C ATOM 1207 CD PRO A 83 2.190 -2.176 -7.010 1.00 0.00 C ATOM 0 HA PRO A 83 2.081 0.767 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.037 0.528 -7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.182 -0.335 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.202 -1.343 -8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.267 -2.128 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.625 -2.768 -7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.494 -2.851 -6.210 1.00 0.00 H new ATOM 1215 N ALA A 84 1.417 2.438 -7.220 1.00 0.00 N ATOM 1216 CA ALA A 84 0.889 3.449 -8.128 1.00 0.00 C ATOM 1217 C ALA A 84 1.819 3.658 -9.317 1.00 0.00 C ATOM 1218 O ALA A 84 1.497 4.398 -10.247 1.00 0.00 O ATOM 1219 CB ALA A 84 0.672 4.760 -7.388 1.00 0.00 C ATOM 0 H ALA A 84 1.650 2.786 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.070 3.096 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.278 5.506 -8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.038 4.606 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.621 5.109 -6.980 1.00 0.00 H new ATOM 1225 N ASP A 85 2.974 3.003 -9.282 1.00 0.00 N ATOM 1226 CA ASP A 85 3.952 3.117 -10.358 1.00 0.00 C ATOM 1227 C ASP A 85 3.818 1.957 -11.339 1.00 0.00 C ATOM 1228 O ASP A 85 3.897 2.146 -12.553 1.00 0.00 O ATOM 1229 CB ASP A 85 5.370 3.156 -9.785 1.00 0.00 C ATOM 1230 CG ASP A 85 6.423 2.826 -10.825 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.256 3.241 -11.991 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.414 2.152 -10.473 1.00 0.00 O ATOM 0 H ASP A 85 3.256 2.387 -8.520 1.00 0.00 H new ATOM 0 HA ASP A 85 3.759 4.046 -10.894 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.566 4.147 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.445 2.449 -8.959 1.00 0.00 H new ATOM 1237 N SER A 86 3.615 0.757 -10.805 1.00 0.00 N ATOM 1238 CA SER A 86 3.475 -0.434 -11.634 1.00 0.00 C ATOM 1239 C SER A 86 2.036 -0.943 -11.614 1.00 0.00 C ATOM 1240 O SER A 86 1.784 -2.130 -11.828 1.00 0.00 O ATOM 1241 CB SER A 86 4.423 -1.533 -11.149 1.00 0.00 C ATOM 1242 OG SER A 86 5.670 -1.461 -11.818 1.00 0.00 O ATOM 0 H SER A 86 3.544 0.584 -9.802 1.00 0.00 H new ATOM 0 HA SER A 86 3.734 -0.167 -12.658 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.577 -1.437 -10.074 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.971 -2.510 -11.320 1.00 0.00 H new ATOM 0 HG SER A 86 6.259 -2.172 -11.490 1.00 0.00 H new ATOM 1248 N ILE A 87 1.099 -0.038 -11.356 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.314 -0.395 -11.309 1.00 0.00 C ATOM 1250 C ILE A 87 -0.644 -1.469 -12.340 1.00 0.00 C ATOM 1251 O ILE A 87 -0.753 -1.186 -13.533 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.212 0.832 -11.557 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.556 2.094 -10.994 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.584 0.618 -10.935 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.530 3.228 -10.760 1.00 0.00 C ATOM 0 H ILE A 87 1.292 0.947 -11.176 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.509 -0.783 -10.309 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.338 0.960 -12.632 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.063 1.849 -10.053 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.220 2.428 -11.682 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.207 1.493 -11.118 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.052 -0.260 -11.380 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.477 0.468 -9.861 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.996 4.090 -10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.005 3.500 -11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.292 2.912 -10.048 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.804 -2.702 -11.870 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.124 -3.819 -12.751 1.00 0.00 C ATOM 1269 C GLN A 88 -2.598 -3.800 -13.142 1.00 0.00 C ATOM 1270 O GLN A 88 -2.999 -4.430 -14.120 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.781 -5.146 -12.072 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.456 -5.331 -10.722 1.00 0.00 C ATOM 1273 CD GLN A 88 -1.123 -6.664 -10.081 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -0.444 -6.720 -9.056 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -1.602 -7.746 -10.683 1.00 0.00 N ATOM 0 H GLN A 88 -0.717 -2.953 -10.885 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.526 -3.717 -13.657 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.070 -5.966 -12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.299 -5.209 -11.940 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.152 -4.525 -10.054 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.536 -5.251 -10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.161 -7.652 -11.531 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.411 -8.671 -10.297 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.400 -3.074 -12.371 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.830 -2.971 -12.637 1.00 0.00 C ATOM 1286 C ALA A 89 -5.244 -1.521 -12.861 1.00 0.00 C ATOM 1287 O ALA A 89 -6.396 -1.154 -12.635 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.625 -3.579 -11.491 1.00 0.00 C ATOM 0 H ALA A 89 -3.084 -2.548 -11.556 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.046 -3.527 -13.549 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.691 -3.495 -11.703 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.358 -4.630 -11.381 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.396 -3.048 -10.567 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.296 -0.702 -13.306 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.564 0.709 -13.558 1.00 0.00 C ATOM 1296 C GLU A 90 -5.978 0.907 -14.098 1.00 0.00 C ATOM 1297 O GLU A 90 -6.601 1.942 -13.869 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.545 1.276 -14.549 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.176 0.309 -15.662 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.754 0.500 -16.152 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.185 1.586 -15.917 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.210 -0.438 -16.772 1.00 0.00 O ATOM 0 H GLU A 90 -3.337 -0.991 -13.499 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.476 1.243 -12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.948 2.188 -14.990 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.641 1.556 -14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.299 -0.714 -15.306 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.865 0.441 -16.496 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.476 -0.095 -14.816 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.816 -0.031 -15.389 1.00 0.00 C ATOM 1311 C GLU A 91 -8.787 0.650 -14.428 1.00 0.00 C ATOM 1312 O GLU A 91 -9.724 1.326 -14.852 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.317 -1.436 -15.728 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.575 -2.085 -16.885 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.251 -3.350 -17.375 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -8.392 -4.296 -16.572 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.639 -3.395 -18.561 1.00 0.00 O ATOM 0 H GLU A 91 -5.973 -0.960 -15.015 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.765 0.559 -16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.222 -2.069 -14.846 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.378 -1.385 -15.971 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.501 -1.375 -17.708 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.557 -2.319 -16.573 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.555 0.465 -13.134 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.409 1.060 -12.112 1.00 0.00 C ATOM 1326 C TRP A 92 -9.360 2.582 -12.181 1.00 0.00 C ATOM 1327 O TRP A 92 -10.393 3.250 -12.116 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.983 0.586 -10.722 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.625 1.077 -10.318 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.470 0.349 -10.274 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.283 2.402 -9.898 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.431 1.143 -9.852 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.903 2.407 -9.616 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -8.008 3.586 -9.735 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.236 3.549 -9.180 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.345 4.718 -9.302 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.970 4.694 -9.029 1.00 0.00 C ATOM 0 H TRP A 92 -7.783 -0.092 -12.767 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.434 0.739 -12.299 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.716 0.924 -9.990 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.989 -0.504 -10.700 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.386 -0.696 -10.533 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.464 0.840 -9.734 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.067 3.615 -9.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.177 3.532 -8.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.896 5.638 -9.171 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.481 5.596 -8.693 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.155 3.126 -12.313 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.972 4.570 -12.388 1.00 0.00 C ATOM 1350 C TYR A 93 -8.236 5.080 -13.802 1.00 0.00 C ATOM 1351 O TYR A 93 -8.693 6.207 -13.993 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.556 4.950 -11.953 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.581 5.067 -13.103 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.742 6.042 -14.080 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.497 4.204 -13.211 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.854 6.152 -15.132 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.603 4.308 -14.259 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.786 5.283 -15.217 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.898 5.391 -16.263 1.00 0.00 O ATOM 0 H TYR A 93 -7.290 2.588 -12.370 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.689 5.037 -11.713 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.591 5.900 -11.419 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.188 4.203 -11.250 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.576 6.725 -14.016 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.351 3.439 -12.463 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.995 6.914 -15.884 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.765 3.630 -14.328 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.315 5.052 -17.083 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.944 4.241 -14.790 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.149 4.604 -16.187 1.00 0.00 C ATOM 1371 C PHE A 94 -9.622 4.890 -16.465 1.00 0.00 C ATOM 1372 O PHE A 94 -9.965 5.902 -17.075 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.653 3.485 -17.106 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.218 3.642 -17.521 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.854 4.600 -18.453 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.233 2.832 -16.979 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.534 4.748 -18.838 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -3.912 2.975 -17.359 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.562 3.933 -18.290 1.00 0.00 C ATOM 0 H PHE A 94 -7.565 3.305 -14.649 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.577 5.510 -16.388 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.773 2.528 -16.598 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.279 3.453 -17.998 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.610 5.239 -18.884 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.501 2.080 -16.251 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.263 5.499 -19.565 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.154 2.338 -16.928 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.530 4.045 -18.589 1.00 0.00 H new