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 166:sc= 1.45 USER MOD Set 1.2: A 70 THR OG1 : rot -162:sc= 0.259 USER MOD Single : A 28 THR OG1 : rot 30:sc= 0.272 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -54:sc= 1.09 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0766 K(o=-0.077,f=-1.4!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.235! F(o=-0.99,f=-0.24!) 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 117:sc= 1.23 USER MOD Single : A 79 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.12) 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= -0.141 X(o=-0.14,f=0) USER MOD Single : A 93 TYR OH : rot -140:sc= -0.987! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.975 3.153 -0.944 1.00 0.00 N ATOM 325 CA THR A 28 7.223 2.902 -2.166 1.00 0.00 C ATOM 326 C THR A 28 5.725 3.072 -1.935 1.00 0.00 C ATOM 327 O THR A 28 5.166 2.514 -0.991 1.00 0.00 O ATOM 328 CB THR A 28 7.488 1.485 -2.709 1.00 0.00 C ATOM 329 OG1 THR A 28 8.892 1.205 -2.680 1.00 0.00 O ATOM 330 CG2 THR A 28 6.968 1.344 -4.132 1.00 0.00 C ATOM 0 HA THR A 28 7.561 3.634 -2.900 1.00 0.00 H new ATOM 0 HB THR A 28 6.961 0.772 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.308 1.697 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.167 0.335 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.894 1.530 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.470 2.066 -4.776 1.00 0.00 H new ATOM 338 N ILE A 29 5.082 3.846 -2.802 1.00 0.00 N ATOM 339 CA ILE A 29 3.649 4.088 -2.693 1.00 0.00 C ATOM 340 C ILE A 29 2.849 2.895 -3.204 1.00 0.00 C ATOM 341 O ILE A 29 3.222 2.261 -4.192 1.00 0.00 O ATOM 342 CB ILE A 29 3.229 5.347 -3.475 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.635 6.608 -2.711 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.729 5.335 -3.731 1.00 0.00 C ATOM 345 CD1 ILE A 29 3.004 6.713 -1.340 1.00 0.00 C ATOM 0 H ILE A 29 5.531 4.316 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 29 3.435 4.239 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 29 3.742 5.348 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.720 6.626 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.358 7.484 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.447 6.231 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.466 4.451 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.198 5.314 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.336 7.631 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.919 6.727 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.302 5.856 -0.736 1.00 0.00 H new ATOM 357 N PHE A 30 1.746 2.594 -2.526 1.00 0.00 N ATOM 358 CA PHE A 30 0.892 1.477 -2.913 1.00 0.00 C ATOM 359 C PHE A 30 -0.580 1.821 -2.705 1.00 0.00 C ATOM 360 O PHE A 30 -0.940 2.511 -1.752 1.00 0.00 O ATOM 361 CB PHE A 30 1.254 0.228 -2.106 1.00 0.00 C ATOM 362 CG PHE A 30 2.388 -0.559 -2.697 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.690 -0.092 -2.616 1.00 0.00 C ATOM 364 CD2 PHE A 30 2.152 -1.767 -3.334 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.735 -0.815 -3.161 1.00 0.00 C ATOM 366 CE2 PHE A 30 3.193 -2.494 -3.879 1.00 0.00 C ATOM 367 CZ PHE A 30 4.486 -2.018 -3.792 1.00 0.00 C ATOM 0 H PHE A 30 1.423 3.108 -1.706 1.00 0.00 H new ATOM 0 HA PHE A 30 1.055 1.277 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.518 0.525 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.376 -0.414 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.891 0.847 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.143 -2.145 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.745 -0.439 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.995 -3.434 -4.373 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.301 -2.585 -4.217 1.00 0.00 H new ATOM 377 N VAL A 31 -1.428 1.335 -3.607 1.00 0.00 N ATOM 378 CA VAL A 31 -2.861 1.590 -3.524 1.00 0.00 C ATOM 379 C VAL A 31 -3.645 0.287 -3.414 1.00 0.00 C ATOM 380 O VAL A 31 -3.234 -0.744 -3.947 1.00 0.00 O ATOM 381 CB VAL A 31 -3.363 2.377 -4.749 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.858 2.170 -4.940 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.035 3.855 -4.602 1.00 0.00 C ATOM 0 H VAL A 31 -1.147 0.763 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.025 2.186 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.853 2.001 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.195 2.733 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.062 1.110 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.390 2.518 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.397 4.397 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.517 4.247 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.956 3.982 -4.518 1.00 0.00 H new ATOM 393 N ALA A 32 -4.777 0.340 -2.720 1.00 0.00 N ATOM 394 CA ALA A 32 -5.621 -0.835 -2.543 1.00 0.00 C ATOM 395 C ALA A 32 -6.693 -0.909 -3.624 1.00 0.00 C ATOM 396 O ALA A 32 -7.612 -0.089 -3.659 1.00 0.00 O ATOM 397 CB ALA A 32 -6.260 -0.822 -1.162 1.00 0.00 C ATOM 0 H ALA A 32 -5.131 1.185 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.992 -1.721 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.888 -1.705 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.480 -0.826 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.870 0.074 -1.052 1.00 0.00 H new ATOM 403 N LEU A 33 -6.571 -1.896 -4.505 1.00 0.00 N ATOM 404 CA LEU A 33 -7.531 -2.076 -5.589 1.00 0.00 C ATOM 405 C LEU A 33 -8.824 -2.700 -5.073 1.00 0.00 C ATOM 406 O LEU A 33 -9.914 -2.370 -5.541 1.00 0.00 O ATOM 407 CB LEU A 33 -6.930 -2.955 -6.687 1.00 0.00 C ATOM 408 CG LEU A 33 -5.467 -2.682 -7.040 1.00 0.00 C ATOM 409 CD1 LEU A 33 -4.961 -3.705 -8.046 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.304 -1.270 -7.584 1.00 0.00 C ATOM 0 H LEU A 33 -5.818 -2.583 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.763 -1.095 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.021 -3.997 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.529 -2.835 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.871 -2.771 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.919 -3.495 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.041 -4.705 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.560 -3.649 -8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.257 -1.093 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.912 -1.153 -8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.626 -0.551 -6.831 1.00 0.00 H new ATOM 422 N TYR A 34 -8.695 -3.601 -4.105 1.00 0.00 N ATOM 423 CA TYR A 34 -9.853 -4.271 -3.526 1.00 0.00 C ATOM 424 C TYR A 34 -10.021 -3.895 -2.057 1.00 0.00 C ATOM 425 O TYR A 34 -9.047 -3.598 -1.365 1.00 0.00 O ATOM 426 CB TYR A 34 -9.713 -5.788 -3.663 1.00 0.00 C ATOM 427 CG TYR A 34 -8.945 -6.216 -4.894 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.574 -6.318 -6.128 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.591 -6.519 -4.822 1.00 0.00 C ATOM 430 CE1 TYR A 34 -8.877 -6.709 -7.255 1.00 0.00 C ATOM 431 CE2 TYR A 34 -6.886 -6.910 -5.943 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.533 -7.004 -7.158 1.00 0.00 C ATOM 433 OH TYR A 34 -6.835 -7.394 -8.277 1.00 0.00 O ATOM 0 H TYR A 34 -7.800 -3.884 -3.705 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.739 -3.945 -4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.212 -6.180 -2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.707 -6.235 -3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.626 -6.088 -6.208 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.081 -6.447 -3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.382 -6.783 -8.207 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.834 -7.141 -5.869 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.900 -7.563 -8.037 1.00 0.00 H new ATOM 443 N ASP A 35 -11.264 -3.912 -1.587 1.00 0.00 N ATOM 444 CA ASP A 35 -11.561 -3.575 -0.200 1.00 0.00 C ATOM 445 C ASP A 35 -11.296 -4.765 0.717 1.00 0.00 C ATOM 446 O ASP A 35 -11.737 -5.882 0.445 1.00 0.00 O ATOM 447 CB ASP A 35 -13.017 -3.124 -0.063 1.00 0.00 C ATOM 448 CG ASP A 35 -13.996 -4.169 -0.561 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.304 -4.164 -1.771 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.454 -4.992 0.259 1.00 0.00 O ATOM 0 H ASP A 35 -12.081 -4.156 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.905 -2.757 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.228 -2.901 0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.162 -2.199 -0.621 1.00 0.00 H new ATOM 455 N TYR A 36 -10.573 -4.518 1.803 1.00 0.00 N ATOM 456 CA TYR A 36 -10.246 -5.570 2.759 1.00 0.00 C ATOM 457 C TYR A 36 -10.597 -5.142 4.181 1.00 0.00 C ATOM 458 O TYR A 36 -10.892 -3.975 4.434 1.00 0.00 O ATOM 459 CB TYR A 36 -8.759 -5.921 2.673 1.00 0.00 C ATOM 460 CG TYR A 36 -8.316 -6.934 3.705 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.626 -8.281 3.563 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.589 -6.543 4.822 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.223 -9.209 4.503 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.181 -7.465 5.767 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.501 -8.796 5.603 1.00 0.00 C ATOM 466 OH TYR A 36 -7.098 -9.717 6.543 1.00 0.00 O ATOM 0 H TYR A 36 -10.202 -3.599 2.044 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.836 -6.451 2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.543 -6.310 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.172 -5.011 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.192 -8.608 2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.338 -5.501 4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.472 -10.252 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.615 -7.145 6.629 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.599 -9.262 7.253 1.00 0.00 H new ATOM 476 N GLU A 37 -10.563 -6.098 5.104 1.00 0.00 N ATOM 477 CA GLU A 37 -10.878 -5.821 6.501 1.00 0.00 C ATOM 478 C GLU A 37 -9.881 -6.507 7.430 1.00 0.00 C ATOM 479 O GLU A 37 -9.749 -7.731 7.422 1.00 0.00 O ATOM 480 CB GLU A 37 -12.299 -6.285 6.828 1.00 0.00 C ATOM 481 CG GLU A 37 -12.882 -5.632 8.070 1.00 0.00 C ATOM 482 CD GLU A 37 -12.988 -4.125 7.941 1.00 0.00 C ATOM 483 OE1 GLU A 37 -13.188 -3.638 6.809 1.00 0.00 O ATOM 484 OE2 GLU A 37 -12.871 -3.432 8.974 1.00 0.00 O ATOM 0 H GLU A 37 -10.321 -7.070 4.910 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.810 -4.744 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.947 -6.072 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.297 -7.367 6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.871 -6.047 8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.260 -5.876 8.931 1.00 0.00 H new ATOM 491 N ALA A 38 -9.180 -5.710 8.229 1.00 0.00 N ATOM 492 CA ALA A 38 -8.196 -6.239 9.165 1.00 0.00 C ATOM 493 C ALA A 38 -8.798 -7.342 10.030 1.00 0.00 C ATOM 494 O ALA A 38 -9.646 -7.081 10.883 1.00 0.00 O ATOM 495 CB ALA A 38 -7.645 -5.122 10.039 1.00 0.00 C ATOM 0 H ALA A 38 -9.275 -4.695 8.247 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.378 -6.671 8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.911 -5.532 10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.169 -4.369 9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.459 -4.664 10.600 1.00 0.00 H new ATOM 501 N ARG A 39 -8.354 -8.574 9.803 1.00 0.00 N ATOM 502 CA ARG A 39 -8.851 -9.716 10.560 1.00 0.00 C ATOM 503 C ARG A 39 -8.457 -9.607 12.030 1.00 0.00 C ATOM 504 O ARG A 39 -9.285 -9.795 12.922 1.00 0.00 O ATOM 505 CB ARG A 39 -8.309 -11.020 9.971 1.00 0.00 C ATOM 506 CG ARG A 39 -9.167 -11.585 8.850 1.00 0.00 C ATOM 507 CD ARG A 39 -8.529 -12.817 8.227 1.00 0.00 C ATOM 508 NE ARG A 39 -8.942 -14.046 8.899 1.00 0.00 N ATOM 509 CZ ARG A 39 -8.623 -15.262 8.468 1.00 0.00 C ATOM 510 NH1 ARG A 39 -7.889 -15.410 7.374 1.00 0.00 N ATOM 511 NH2 ARG A 39 -9.037 -16.333 9.133 1.00 0.00 N ATOM 0 H ARG A 39 -7.651 -8.806 9.101 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.939 -9.719 10.493 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.301 -10.847 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.229 -11.762 10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.153 -11.841 9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.315 -10.824 8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.800 -12.872 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.444 -12.726 8.273 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.506 -13.967 9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.567 -14.589 6.861 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.646 -16.345 7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.601 -16.224 9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.792 -17.266 8.801 1.00 0.00 H new ATOM 525 N THR A 40 -7.186 -9.304 12.276 1.00 0.00 N ATOM 526 CA THR A 40 -6.682 -9.171 13.637 1.00 0.00 C ATOM 527 C THR A 40 -5.923 -7.862 13.817 1.00 0.00 C ATOM 528 O THR A 40 -5.534 -7.218 12.842 1.00 0.00 O ATOM 529 CB THR A 40 -5.755 -10.344 14.008 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.527 -10.249 13.277 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.425 -11.678 13.714 1.00 0.00 C ATOM 0 H THR A 40 -6.487 -9.146 11.550 1.00 0.00 H new ATOM 0 HA THR A 40 -7.549 -9.178 14.298 1.00 0.00 H new ATOM 0 HB THR A 40 -5.546 -10.289 15.076 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.721 -10.187 12.318 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.751 -12.491 13.984 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.344 -11.760 14.295 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.661 -11.740 12.652 1.00 0.00 H new ATOM 539 N THR A 41 -5.714 -7.471 15.070 1.00 0.00 N ATOM 540 CA THR A 41 -5.002 -6.238 15.378 1.00 0.00 C ATOM 541 C THR A 41 -3.656 -6.188 14.666 1.00 0.00 C ATOM 542 O THR A 41 -3.102 -5.112 14.442 1.00 0.00 O ATOM 543 CB THR A 41 -4.774 -6.084 16.894 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.924 -4.960 17.150 1.00 0.00 O ATOM 545 CG2 THR A 41 -4.149 -7.342 17.477 1.00 0.00 C ATOM 0 H THR A 41 -6.028 -7.992 15.889 1.00 0.00 H new ATOM 0 HA THR A 41 -5.627 -5.417 15.027 1.00 0.00 H new ATOM 0 HB THR A 41 -5.741 -5.923 17.370 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.785 -4.868 18.116 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.997 -7.210 18.548 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.812 -8.190 17.306 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.189 -7.528 16.995 1.00 0.00 H new ATOM 553 N GLU A 42 -3.135 -7.358 14.311 1.00 0.00 N ATOM 554 CA GLU A 42 -1.852 -7.446 13.624 1.00 0.00 C ATOM 555 C GLU A 42 -1.999 -7.080 12.150 1.00 0.00 C ATOM 556 O GLU A 42 -1.052 -6.609 11.519 1.00 0.00 O ATOM 557 CB GLU A 42 -1.273 -8.857 13.755 1.00 0.00 C ATOM 558 CG GLU A 42 -0.830 -9.204 15.166 1.00 0.00 C ATOM 559 CD GLU A 42 0.510 -8.590 15.524 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.504 -8.887 14.830 1.00 0.00 O ATOM 561 OE2 GLU A 42 0.563 -7.810 16.499 1.00 0.00 O ATOM 0 H GLU A 42 -3.582 -8.258 14.488 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.169 -6.736 14.091 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.022 -9.580 13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.422 -8.955 13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.584 -8.860 15.874 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.768 -10.288 15.267 1.00 0.00 H new ATOM 568 N ASP A 43 -3.191 -7.300 11.607 1.00 0.00 N ATOM 569 CA ASP A 43 -3.463 -6.993 10.208 1.00 0.00 C ATOM 570 C ASP A 43 -3.849 -5.527 10.038 1.00 0.00 C ATOM 571 O ASP A 43 -4.412 -4.913 10.946 1.00 0.00 O ATOM 572 CB ASP A 43 -4.580 -7.892 9.674 1.00 0.00 C ATOM 573 CG ASP A 43 -4.151 -9.342 9.562 1.00 0.00 C ATOM 574 OD1 ASP A 43 -4.141 -10.039 10.598 1.00 0.00 O ATOM 575 OD2 ASP A 43 -3.825 -9.780 8.438 1.00 0.00 O ATOM 0 H ASP A 43 -3.985 -7.690 12.115 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.553 -7.179 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.445 -7.822 10.333 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.895 -7.532 8.694 1.00 0.00 H new ATOM 580 N LEU A 44 -3.543 -4.971 8.871 1.00 0.00 N ATOM 581 CA LEU A 44 -3.856 -3.576 8.582 1.00 0.00 C ATOM 582 C LEU A 44 -5.157 -3.463 7.794 1.00 0.00 C ATOM 583 O LEU A 44 -5.333 -4.121 6.768 1.00 0.00 O ATOM 584 CB LEU A 44 -2.714 -2.928 7.799 1.00 0.00 C ATOM 585 CG LEU A 44 -2.545 -1.419 7.983 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.895 -0.801 6.755 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.889 -0.763 8.266 1.00 0.00 C ATOM 0 H LEU A 44 -3.078 -5.465 8.109 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.980 -3.053 9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.782 -3.415 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.867 -3.130 6.739 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.892 -1.247 8.839 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.783 0.273 6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.914 -1.250 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.521 -0.982 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.750 0.310 8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.565 -0.944 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.315 -1.185 9.176 1.00 0.00 H new ATOM 599 N SER A 45 -6.066 -2.622 8.279 1.00 0.00 N ATOM 600 CA SER A 45 -7.352 -2.423 7.620 1.00 0.00 C ATOM 601 C SER A 45 -7.242 -1.370 6.522 1.00 0.00 C ATOM 602 O SER A 45 -6.610 -0.330 6.704 1.00 0.00 O ATOM 603 CB SER A 45 -8.411 -2.004 8.641 1.00 0.00 C ATOM 604 OG SER A 45 -9.391 -1.171 8.046 1.00 0.00 O ATOM 0 H SER A 45 -5.936 -2.068 9.125 1.00 0.00 H new ATOM 0 HA SER A 45 -7.650 -3.367 7.164 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.888 -2.890 9.060 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.935 -1.477 9.468 1.00 0.00 H new ATOM 0 HG SER A 45 -10.057 -0.918 8.719 1.00 0.00 H new ATOM 610 N PHE A 46 -7.863 -1.648 5.380 1.00 0.00 N ATOM 611 CA PHE A 46 -7.835 -0.726 4.251 1.00 0.00 C ATOM 612 C PHE A 46 -9.064 -0.915 3.365 1.00 0.00 C ATOM 613 O PHE A 46 -9.810 -1.882 3.516 1.00 0.00 O ATOM 614 CB PHE A 46 -6.563 -0.933 3.427 1.00 0.00 C ATOM 615 CG PHE A 46 -6.324 -2.365 3.042 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.757 -3.253 3.943 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.666 -2.824 1.780 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.535 -4.571 3.590 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.447 -4.141 1.423 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.882 -5.016 2.330 1.00 0.00 C ATOM 0 H PHE A 46 -8.391 -2.504 5.212 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.843 0.291 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.623 -0.327 2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.707 -0.571 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.486 -2.912 4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.109 -2.144 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.090 -5.253 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.717 -4.486 0.436 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.712 -6.046 2.054 1.00 0.00 H new ATOM 630 N LYS A 47 -9.268 0.018 2.441 1.00 0.00 N ATOM 631 CA LYS A 47 -10.404 -0.043 1.529 1.00 0.00 C ATOM 632 C LYS A 47 -9.963 0.215 0.092 1.00 0.00 C ATOM 633 O LYS A 47 -8.821 0.600 -0.159 1.00 0.00 O ATOM 634 CB LYS A 47 -11.468 0.978 1.939 1.00 0.00 C ATOM 635 CG LYS A 47 -12.084 0.702 3.299 1.00 0.00 C ATOM 636 CD LYS A 47 -13.045 -0.475 3.248 1.00 0.00 C ATOM 637 CE LYS A 47 -14.060 -0.415 4.379 1.00 0.00 C ATOM 638 NZ LYS A 47 -15.278 0.349 3.991 1.00 0.00 N ATOM 0 H LYS A 47 -8.661 0.826 2.304 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.830 -1.045 1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.021 1.972 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.257 0.989 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.295 0.497 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.613 1.590 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.566 -0.480 2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.484 -1.407 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.343 -1.427 4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.603 0.049 5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.945 0.367 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.012 1.323 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.729 -0.108 3.173 1.00 0.00 H new ATOM 652 N LYS A 48 -10.876 0.001 -0.850 1.00 0.00 N ATOM 653 CA LYS A 48 -10.583 0.213 -2.262 1.00 0.00 C ATOM 654 C LYS A 48 -10.399 1.697 -2.563 1.00 0.00 C ATOM 655 O LYS A 48 -11.366 2.455 -2.613 1.00 0.00 O ATOM 656 CB LYS A 48 -11.708 -0.358 -3.129 1.00 0.00 C ATOM 657 CG LYS A 48 -11.534 -0.081 -4.612 1.00 0.00 C ATOM 658 CD LYS A 48 -12.420 -0.982 -5.455 1.00 0.00 C ATOM 659 CE LYS A 48 -12.380 -0.586 -6.923 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.577 -1.077 -7.663 1.00 0.00 N ATOM 0 H LYS A 48 -11.826 -0.319 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.653 -0.305 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.764 -1.435 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.658 0.061 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.773 0.962 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.491 -0.231 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.096 -2.017 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.446 -0.930 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.322 0.499 -7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.478 -0.989 -7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.512 -0.787 -8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.619 -2.115 -7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.437 -0.673 -7.240 1.00 0.00 H new ATOM 674 N GLY A 49 -9.149 2.105 -2.764 1.00 0.00 N ATOM 675 CA GLY A 49 -8.861 3.496 -3.059 1.00 0.00 C ATOM 676 C GLY A 49 -8.126 4.188 -1.928 1.00 0.00 C ATOM 677 O GLY A 49 -8.303 5.386 -1.706 1.00 0.00 O ATOM 0 H GLY A 49 -8.331 1.497 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.262 3.555 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.794 4.023 -3.258 1.00 0.00 H new ATOM 681 N GLU A 50 -7.301 3.432 -1.210 1.00 0.00 N ATOM 682 CA GLU A 50 -6.539 3.981 -0.095 1.00 0.00 C ATOM 683 C GLU A 50 -5.050 3.693 -0.259 1.00 0.00 C ATOM 684 O GLU A 50 -4.658 2.590 -0.639 1.00 0.00 O ATOM 685 CB GLU A 50 -7.039 3.399 1.229 1.00 0.00 C ATOM 686 CG GLU A 50 -6.804 4.310 2.422 1.00 0.00 C ATOM 687 CD GLU A 50 -7.355 3.735 3.713 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.495 3.226 3.697 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.646 3.794 4.739 1.00 0.00 O ATOM 0 H GLU A 50 -7.144 2.439 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.684 5.061 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.106 3.192 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.542 2.445 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.734 4.486 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.268 5.278 2.232 1.00 0.00 H new ATOM 696 N ARG A 51 -4.224 4.694 0.029 1.00 0.00 N ATOM 697 CA ARG A 51 -2.778 4.550 -0.088 1.00 0.00 C ATOM 698 C ARG A 51 -2.171 4.069 1.227 1.00 0.00 C ATOM 699 O ARG A 51 -2.808 4.139 2.279 1.00 0.00 O ATOM 700 CB ARG A 51 -2.143 5.879 -0.499 1.00 0.00 C ATOM 701 CG ARG A 51 -2.421 6.266 -1.943 1.00 0.00 C ATOM 702 CD ARG A 51 -1.386 7.251 -2.464 1.00 0.00 C ATOM 703 NE ARG A 51 -1.755 7.792 -3.770 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.199 8.877 -4.299 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.255 9.532 -3.638 1.00 0.00 N ATOM 706 NH2 ARG A 51 -1.588 9.308 -5.492 1.00 0.00 N ATOM 0 H ARG A 51 -4.532 5.614 0.345 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.574 3.805 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.513 6.667 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.065 5.819 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.421 5.372 -2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.415 6.707 -2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.272 8.068 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.418 6.755 -2.537 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.478 7.311 -4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.047 9.204 -2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.170 10.364 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.314 8.807 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.161 10.141 -5.898 1.00 0.00 H new ATOM 720 N PHE A 52 -0.937 3.581 1.160 1.00 0.00 N ATOM 721 CA PHE A 52 -0.244 3.087 2.344 1.00 0.00 C ATOM 722 C PHE A 52 1.264 3.047 2.115 1.00 0.00 C ATOM 723 O PHE A 52 1.732 2.576 1.079 1.00 0.00 O ATOM 724 CB PHE A 52 -0.753 1.692 2.714 1.00 0.00 C ATOM 725 CG PHE A 52 -2.246 1.617 2.860 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.054 1.415 1.753 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.841 1.750 4.104 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.428 1.345 1.884 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.215 1.681 4.241 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.009 1.480 3.129 1.00 0.00 C ATOM 0 H PHE A 52 -0.396 3.517 0.298 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.450 3.771 3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.435 0.983 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.289 1.381 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.605 1.311 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.225 1.909 4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.047 1.185 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.667 1.784 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.083 1.429 3.233 1.00 0.00 H new ATOM 740 N GLN A 53 2.017 3.546 3.090 1.00 0.00 N ATOM 741 CA GLN A 53 3.472 3.568 2.994 1.00 0.00 C ATOM 742 C GLN A 53 4.064 2.215 3.376 1.00 0.00 C ATOM 743 O GLN A 53 3.967 1.787 4.526 1.00 0.00 O ATOM 744 CB GLN A 53 4.047 4.662 3.896 1.00 0.00 C ATOM 745 CG GLN A 53 4.108 6.028 3.231 1.00 0.00 C ATOM 746 CD GLN A 53 4.215 7.160 4.234 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.738 7.052 5.364 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.844 8.256 3.825 1.00 0.00 N ATOM 0 H GLN A 53 1.645 3.940 3.954 1.00 0.00 H new ATOM 0 HA GLN A 53 3.739 3.782 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.440 4.733 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.051 4.374 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.964 6.062 2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.216 6.171 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.224 8.303 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.947 9.051 4.456 1.00 0.00 H new ATOM 757 N ILE A 54 4.676 1.547 2.404 1.00 0.00 N ATOM 758 CA ILE A 54 5.283 0.243 2.639 1.00 0.00 C ATOM 759 C ILE A 54 6.482 0.356 3.574 1.00 0.00 C ATOM 760 O ILE A 54 7.530 0.881 3.197 1.00 0.00 O ATOM 761 CB ILE A 54 5.735 -0.413 1.321 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.575 -0.457 0.324 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.269 -1.814 1.583 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.344 -1.154 0.860 1.00 0.00 C ATOM 0 H ILE A 54 4.765 1.887 1.447 1.00 0.00 H new ATOM 0 HA ILE A 54 4.520 -0.381 3.104 1.00 0.00 H new ATOM 0 HB ILE A 54 6.537 0.186 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.311 0.562 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.905 -0.965 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.585 -2.265 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.120 -1.758 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.485 -2.424 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.562 -1.148 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.592 -2.184 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.989 -0.633 1.750 1.00 0.00 H new ATOM 776 N ILE A 55 6.321 -0.142 4.796 1.00 0.00 N ATOM 777 CA ILE A 55 7.391 -0.100 5.784 1.00 0.00 C ATOM 778 C ILE A 55 8.334 -1.288 5.625 1.00 0.00 C ATOM 779 O ILE A 55 9.553 -1.126 5.596 1.00 0.00 O ATOM 780 CB ILE A 55 6.832 -0.091 7.219 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.809 1.034 7.384 1.00 0.00 C ATOM 782 CG2 ILE A 55 7.962 0.062 8.227 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.753 0.742 8.428 1.00 0.00 C ATOM 0 H ILE A 55 5.460 -0.579 5.125 1.00 0.00 H new ATOM 0 HA ILE A 55 7.943 0.824 5.612 1.00 0.00 H new ATOM 0 HB ILE A 55 6.332 -1.042 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.331 1.952 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.321 1.214 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.551 0.067 9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.658 -0.770 8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.488 0.999 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.062 1.582 8.491 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.205 -0.158 8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.230 0.591 9.396 1.00 0.00 H new ATOM 795 N ASN A 56 7.760 -2.482 5.521 1.00 0.00 N ATOM 796 CA ASN A 56 8.549 -3.698 5.363 1.00 0.00 C ATOM 797 C ASN A 56 7.930 -4.615 4.313 1.00 0.00 C ATOM 798 O ASN A 56 6.741 -4.926 4.368 1.00 0.00 O ATOM 799 CB ASN A 56 8.660 -4.436 6.699 1.00 0.00 C ATOM 800 CG ASN A 56 9.953 -5.219 6.822 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.583 -5.559 5.820 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.354 -5.508 8.054 1.00 0.00 N ATOM 0 H ASN A 56 6.752 -2.633 5.543 1.00 0.00 H new ATOM 0 HA ASN A 56 9.547 -3.413 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.595 -3.716 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.815 -5.116 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.217 -6.032 8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.800 -5.206 8.855 1.00 0.00 H new ATOM 809 N ASN A 57 8.747 -5.046 3.356 1.00 0.00 N ATOM 810 CA ASN A 57 8.280 -5.928 2.293 1.00 0.00 C ATOM 811 C ASN A 57 9.075 -7.230 2.278 1.00 0.00 C ATOM 812 O ASN A 57 9.446 -7.732 1.216 1.00 0.00 O ATOM 813 CB ASN A 57 8.396 -5.230 0.936 1.00 0.00 C ATOM 814 CG ASN A 57 9.821 -4.821 0.616 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.044 -3.521 0.468 1.00 0.00 O flip ATOM 816 ND2 ASN A 57 10.710 -5.665 0.504 1.00 0.00 N flip ATOM 0 H ASN A 57 9.735 -4.799 3.296 1.00 0.00 H new ATOM 0 HA ASN A 57 7.233 -6.165 2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.028 -5.896 0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.757 -4.347 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.493 -6.654 0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.664 -5.375 0.289 1.00 0.00 H new ATOM 823 N THR A 58 9.335 -7.772 3.463 1.00 0.00 N ATOM 824 CA THR A 58 10.086 -9.015 3.587 1.00 0.00 C ATOM 825 C THR A 58 9.177 -10.227 3.413 1.00 0.00 C ATOM 826 O THR A 58 9.523 -11.177 2.713 1.00 0.00 O ATOM 827 CB THR A 58 10.794 -9.110 4.952 1.00 0.00 C ATOM 828 OG1 THR A 58 11.543 -10.328 5.032 1.00 0.00 O ATOM 829 CG2 THR A 58 9.785 -9.053 6.089 1.00 0.00 C ATOM 0 H THR A 58 9.036 -7.369 4.351 1.00 0.00 H new ATOM 0 HA THR A 58 10.836 -9.011 2.796 1.00 0.00 H new ATOM 0 HB THR A 58 11.472 -8.261 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.991 -10.380 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.308 -9.122 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.237 -8.112 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.086 -9.885 5.997 1.00 0.00 H new ATOM 837 N GLU A 59 8.014 -10.185 4.055 1.00 0.00 N ATOM 838 CA GLU A 59 7.055 -11.281 3.970 1.00 0.00 C ATOM 839 C GLU A 59 6.209 -11.167 2.706 1.00 0.00 C ATOM 840 O GLU A 59 5.236 -10.415 2.663 1.00 0.00 O ATOM 841 CB GLU A 59 6.151 -11.293 5.204 1.00 0.00 C ATOM 842 CG GLU A 59 6.886 -11.612 6.495 1.00 0.00 C ATOM 843 CD GLU A 59 5.967 -12.160 7.569 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.611 -13.355 7.492 1.00 0.00 O ATOM 845 OE2 GLU A 59 5.604 -11.396 8.487 1.00 0.00 O ATOM 0 H GLU A 59 7.713 -9.405 4.639 1.00 0.00 H new ATOM 0 HA GLU A 59 7.613 -12.216 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.670 -10.320 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.359 -12.027 5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.673 -12.338 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.373 -10.709 6.864 1.00 0.00 H new ATOM 852 N GLY A 60 6.587 -11.919 1.677 1.00 0.00 N ATOM 853 CA GLY A 60 5.853 -11.888 0.425 1.00 0.00 C ATOM 854 C GLY A 60 4.359 -12.050 0.625 1.00 0.00 C ATOM 855 O GLY A 60 3.561 -11.419 -0.068 1.00 0.00 O ATOM 0 H GLY A 60 7.389 -12.549 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.048 -10.944 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.218 -12.682 -0.226 1.00 0.00 H new ATOM 859 N ASP A 61 3.980 -12.898 1.574 1.00 0.00 N ATOM 860 CA ASP A 61 2.571 -13.142 1.863 1.00 0.00 C ATOM 861 C ASP A 61 1.867 -11.850 2.264 1.00 0.00 C ATOM 862 O ASP A 61 0.852 -11.476 1.677 1.00 0.00 O ATOM 863 CB ASP A 61 2.429 -14.182 2.976 1.00 0.00 C ATOM 864 CG ASP A 61 3.032 -15.521 2.597 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.227 -15.552 2.236 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.309 -16.537 2.662 1.00 0.00 O ATOM 0 H ASP A 61 4.628 -13.428 2.156 1.00 0.00 H new ATOM 0 HA ASP A 61 2.101 -13.525 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.913 -13.811 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.373 -14.316 3.212 1.00 0.00 H new ATOM 871 N TRP A 62 2.412 -11.173 3.269 1.00 0.00 N ATOM 872 CA TRP A 62 1.835 -9.923 3.750 1.00 0.00 C ATOM 873 C TRP A 62 2.914 -8.863 3.939 1.00 0.00 C ATOM 874 O TRP A 62 4.012 -9.160 4.410 1.00 0.00 O ATOM 875 CB TRP A 62 1.092 -10.154 5.067 1.00 0.00 C ATOM 876 CG TRP A 62 0.005 -11.180 4.964 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.162 -12.525 4.783 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.406 -10.945 5.033 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.066 -13.139 4.736 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.044 -12.192 4.888 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.192 -9.802 5.205 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.430 -12.326 4.909 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.567 -9.937 5.226 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.174 -11.191 5.079 1.00 0.00 C ATOM 0 H TRP A 62 3.252 -11.469 3.766 1.00 0.00 H new ATOM 0 HA TRP A 62 1.129 -9.565 3.001 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.806 -10.467 5.829 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.661 -9.211 5.403 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.112 -13.031 4.690 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.224 -14.139 4.609 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.733 -8.831 5.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.900 -13.291 4.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.184 -9.061 5.358 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.251 -11.263 5.100 1.00 0.00 H new ATOM 895 N TRP A 63 2.595 -7.628 3.571 1.00 0.00 N ATOM 896 CA TRP A 63 3.538 -6.523 3.701 1.00 0.00 C ATOM 897 C TRP A 63 3.086 -5.545 4.780 1.00 0.00 C ATOM 898 O TRP A 63 1.893 -5.291 4.938 1.00 0.00 O ATOM 899 CB TRP A 63 3.689 -5.794 2.365 1.00 0.00 C ATOM 900 CG TRP A 63 4.342 -6.627 1.304 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.066 -7.770 1.490 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.332 -6.380 -0.106 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.507 -8.249 0.279 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.069 -7.414 -0.715 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.771 -5.387 -0.914 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.259 -7.481 -2.093 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.960 -5.455 -2.281 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.698 -6.496 -2.859 1.00 0.00 C ATOM 0 H TRP A 63 1.690 -7.366 3.180 1.00 0.00 H new ATOM 0 HA TRP A 63 4.504 -6.935 3.993 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.705 -5.481 2.017 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.276 -4.888 2.518 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.263 -8.230 2.447 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.069 -9.089 0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.200 -4.581 -0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.829 -8.282 -2.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.531 -4.693 -2.915 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.827 -6.522 -3.931 1.00 0.00 H new ATOM 919 N GLU A 64 4.048 -5.001 5.520 1.00 0.00 N ATOM 920 CA GLU A 64 3.746 -4.051 6.585 1.00 0.00 C ATOM 921 C GLU A 64 3.776 -2.618 6.060 1.00 0.00 C ATOM 922 O GLU A 64 4.809 -2.139 5.593 1.00 0.00 O ATOM 923 CB GLU A 64 4.744 -4.206 7.734 1.00 0.00 C ATOM 924 CG GLU A 64 4.417 -3.346 8.943 1.00 0.00 C ATOM 925 CD GLU A 64 5.162 -3.784 10.190 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.364 -4.102 10.082 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.540 -3.809 11.273 1.00 0.00 O ATOM 0 H GLU A 64 5.041 -5.201 5.402 1.00 0.00 H new ATOM 0 HA GLU A 64 2.743 -4.264 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.774 -5.252 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.741 -3.950 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.664 -2.307 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.344 -3.385 9.133 1.00 0.00 H new ATOM 934 N ALA A 65 2.636 -1.941 6.141 1.00 0.00 N ATOM 935 CA ALA A 65 2.531 -0.563 5.677 1.00 0.00 C ATOM 936 C ALA A 65 1.758 0.295 6.672 1.00 0.00 C ATOM 937 O ALA A 65 1.010 -0.223 7.502 1.00 0.00 O ATOM 938 CB ALA A 65 1.867 -0.516 4.308 1.00 0.00 C ATOM 0 H ALA A 65 1.772 -2.324 6.524 1.00 0.00 H new ATOM 0 HA ALA A 65 3.539 -0.156 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.795 0.519 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.462 -1.087 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.868 -0.946 4.373 1.00 0.00 H new ATOM 944 N ARG A 66 1.943 1.608 6.584 1.00 0.00 N ATOM 945 CA ARG A 66 1.263 2.537 7.478 1.00 0.00 C ATOM 946 C ARG A 66 0.347 3.473 6.696 1.00 0.00 C ATOM 947 O ARG A 66 0.814 4.353 5.972 1.00 0.00 O ATOM 948 CB ARG A 66 2.285 3.352 8.273 1.00 0.00 C ATOM 949 CG ARG A 66 1.655 4.315 9.267 1.00 0.00 C ATOM 950 CD ARG A 66 2.519 5.550 9.470 1.00 0.00 C ATOM 951 NE ARG A 66 2.008 6.406 10.537 1.00 0.00 N ATOM 952 CZ ARG A 66 2.731 7.346 11.135 1.00 0.00 C ATOM 953 NH1 ARG A 66 3.989 7.551 10.770 1.00 0.00 N ATOM 954 NH2 ARG A 66 2.196 8.085 12.098 1.00 0.00 N ATOM 0 H ARG A 66 2.558 2.052 5.903 1.00 0.00 H new ATOM 0 HA ARG A 66 0.653 1.956 8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.944 2.669 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.907 3.916 7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.669 4.614 8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.510 3.810 10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.538 5.244 9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.564 6.117 8.540 1.00 0.00 H new ATOM 0 HE ARG A 66 1.043 6.275 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.403 6.986 10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.542 8.273 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.228 7.932 12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.753 8.806 12.556 1.00 0.00 H new ATOM 968 N SER A 67 -0.959 3.278 6.846 1.00 0.00 N ATOM 969 CA SER A 67 -1.941 4.102 6.151 1.00 0.00 C ATOM 970 C SER A 67 -1.645 5.585 6.352 1.00 0.00 C ATOM 971 O SER A 67 -1.396 6.033 7.472 1.00 0.00 O ATOM 972 CB SER A 67 -3.352 3.779 6.647 1.00 0.00 C ATOM 973 OG SER A 67 -3.519 4.171 7.998 1.00 0.00 O ATOM 0 H SER A 67 -1.362 2.556 7.443 1.00 0.00 H new ATOM 0 HA SER A 67 -1.879 3.878 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.086 4.290 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.539 2.710 6.549 1.00 0.00 H new ATOM 0 HG SER A 67 -4.473 4.168 8.224 1.00 0.00 H new ATOM 979 N ILE A 68 -1.675 6.341 5.260 1.00 0.00 N ATOM 980 CA ILE A 68 -1.412 7.773 5.316 1.00 0.00 C ATOM 981 C ILE A 68 -2.695 8.559 5.561 1.00 0.00 C ATOM 982 O ILE A 68 -2.673 9.630 6.167 1.00 0.00 O ATOM 983 CB ILE A 68 -0.756 8.276 4.016 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.293 7.275 3.528 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.129 9.645 4.234 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.754 7.527 2.109 1.00 0.00 C ATOM 0 H ILE A 68 -1.879 5.986 4.326 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.725 7.935 6.147 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.526 8.369 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.155 7.311 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.119 6.268 3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.330 9.987 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.899 10.353 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.631 9.577 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.497 6.780 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.098 7.462 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.196 8.521 2.041 1.00 0.00 H new ATOM 998 N ALA A 69 -3.813 8.018 5.088 1.00 0.00 N ATOM 999 CA ALA A 69 -5.108 8.667 5.259 1.00 0.00 C ATOM 1000 C ALA A 69 -5.535 8.660 6.723 1.00 0.00 C ATOM 1001 O ALA A 69 -5.850 9.705 7.294 1.00 0.00 O ATOM 1002 CB ALA A 69 -6.159 7.983 4.397 1.00 0.00 C ATOM 0 H ALA A 69 -3.848 7.132 4.583 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.012 9.705 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.121 8.478 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.866 8.044 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.244 6.936 4.689 1.00 0.00 H new ATOM 1008 N THR A 70 -5.546 7.476 7.327 1.00 0.00 N ATOM 1009 CA THR A 70 -5.937 7.333 8.723 1.00 0.00 C ATOM 1010 C THR A 70 -4.724 7.411 9.644 1.00 0.00 C ATOM 1011 O THR A 70 -4.687 8.219 10.571 1.00 0.00 O ATOM 1012 CB THR A 70 -6.669 6.001 8.969 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.833 4.904 8.581 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.975 5.950 8.190 1.00 0.00 C ATOM 0 H THR A 70 -5.288 6.601 6.870 1.00 0.00 H new ATOM 0 HA THR A 70 -6.614 8.157 8.947 1.00 0.00 H new ATOM 0 HB THR A 70 -6.895 5.927 10.033 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.381 4.100 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.475 5.000 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.620 6.769 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.767 6.044 7.124 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.732 6.565 9.382 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.531 6.555 10.197 1.00 0.00 C ATOM 1024 C GLY A 71 -2.306 5.221 10.881 1.00 0.00 C ATOM 1025 O GLY A 71 -1.393 5.079 11.695 1.00 0.00 O ATOM 0 H GLY A 71 -3.739 5.887 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.669 6.789 9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.601 7.339 10.951 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.141 4.241 10.553 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.030 2.912 11.141 1.00 0.00 C ATOM 1031 C LYS A 72 -1.794 2.187 10.618 1.00 0.00 C ATOM 1032 O LYS A 72 -1.076 2.703 9.762 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.284 2.090 10.835 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.578 2.796 11.200 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.739 1.820 11.295 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.056 2.481 10.920 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.735 3.077 12.103 1.00 0.00 N ATOM 0 H LYS A 72 -3.903 4.343 9.882 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.933 3.027 12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.299 1.848 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.230 1.145 11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.456 3.311 12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.802 3.557 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.557 0.971 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.804 1.428 12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.874 3.257 10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.713 1.745 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.629 3.517 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.932 2.332 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.119 3.798 12.530 1.00 0.00 H new ATOM 1051 N SER A 73 -1.553 0.987 11.138 1.00 0.00 N ATOM 1052 CA SER A 73 -0.403 0.192 10.725 1.00 0.00 C ATOM 1053 C SER A 73 -0.648 -1.292 10.980 1.00 0.00 C ATOM 1054 O SER A 73 -1.212 -1.672 12.005 1.00 0.00 O ATOM 1055 CB SER A 73 0.853 0.649 11.469 1.00 0.00 C ATOM 1056 OG SER A 73 0.619 0.728 12.865 1.00 0.00 O ATOM 0 H SER A 73 -2.139 0.545 11.846 1.00 0.00 H new ATOM 0 HA SER A 73 -0.256 0.339 9.655 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.669 -0.047 11.273 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.167 1.623 11.094 1.00 0.00 H new ATOM 0 HG SER A 73 1.437 1.021 13.318 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.218 -2.127 10.039 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.400 -3.560 10.180 1.00 0.00 C ATOM 1064 C GLY A 74 0.201 -4.336 9.025 1.00 0.00 C ATOM 1065 O GLY A 74 1.324 -4.064 8.601 1.00 0.00 O ATOM 0 H GLY A 74 0.253 -1.837 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.056 -3.891 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.465 -3.783 10.249 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.548 -5.308 8.515 1.00 0.00 N ATOM 1070 CA TYR A 75 -0.081 -6.130 7.404 1.00 0.00 C ATOM 1071 C TYR A 75 -1.154 -6.248 6.326 1.00 0.00 C ATOM 1072 O TYR A 75 -2.279 -6.667 6.598 1.00 0.00 O ATOM 1073 CB TYR A 75 0.313 -7.521 7.903 1.00 0.00 C ATOM 1074 CG TYR A 75 1.328 -7.498 9.023 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.410 -6.626 8.989 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.207 -8.348 10.115 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.340 -6.601 10.009 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.132 -8.330 11.141 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.197 -7.455 11.083 1.00 0.00 C ATOM 1080 OH TYR A 75 4.121 -7.435 12.103 1.00 0.00 O ATOM 0 H TYR A 75 -1.481 -5.546 8.853 1.00 0.00 H new ATOM 0 HA TYR A 75 0.794 -5.647 6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.581 -8.042 8.245 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.717 -8.096 7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.525 -5.956 8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.375 -9.035 10.163 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.175 -5.917 9.966 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.022 -8.997 11.983 1.00 0.00 H new ATOM 0 HH TYR A 75 3.873 -8.097 12.782 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.796 -5.877 5.101 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.726 -5.943 3.981 1.00 0.00 C ATOM 1092 C ILE A 76 -1.189 -6.842 2.873 1.00 0.00 C ATOM 1093 O ILE A 76 -0.006 -6.810 2.532 1.00 0.00 O ATOM 1094 CB ILE A 76 -2.009 -4.545 3.401 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.708 -3.893 2.928 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.700 -3.671 4.437 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.925 -2.670 2.064 1.00 0.00 C ATOM 0 H ILE A 76 0.131 -5.528 4.859 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.655 -6.362 4.367 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.673 -4.651 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.114 -3.613 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.127 -4.625 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.893 -2.686 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.644 -4.131 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.059 -3.569 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.040 -2.260 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.492 -2.948 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.479 -1.920 2.628 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.077 -7.664 2.294 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.716 -8.586 1.213 1.00 0.00 C ATOM 1111 C PRO A 77 -1.395 -7.857 -0.087 1.00 0.00 C ATOM 1112 O PRO A 77 -2.263 -7.220 -0.683 1.00 0.00 O ATOM 1113 CB PRO A 77 -2.970 -9.448 1.048 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.085 -8.594 1.546 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.503 -7.756 2.650 1.00 0.00 C ATOM 0 HA PRO A 77 -0.818 -9.157 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.122 -9.730 0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.893 -10.372 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.483 -7.967 0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.910 -9.204 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.970 -6.772 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.644 -8.222 3.625 1.00 0.00 H new ATOM 1123 N SER A 78 -0.143 -7.957 -0.523 1.00 0.00 N ATOM 1124 CA SER A 78 0.292 -7.304 -1.752 1.00 0.00 C ATOM 1125 C SER A 78 -0.626 -7.666 -2.915 1.00 0.00 C ATOM 1126 O SER A 78 -0.983 -6.814 -3.727 1.00 0.00 O ATOM 1127 CB SER A 78 1.732 -7.701 -2.082 1.00 0.00 C ATOM 1128 OG SER A 78 2.090 -7.282 -3.388 1.00 0.00 O ATOM 0 H SER A 78 0.587 -8.484 -0.044 1.00 0.00 H new ATOM 0 HA SER A 78 0.245 -6.226 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.411 -7.256 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.842 -8.782 -2.001 1.00 0.00 H new ATOM 0 HG SER A 78 2.825 -6.636 -3.334 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.006 -8.938 -2.986 1.00 0.00 N ATOM 1135 CA ASN A 79 -1.883 -9.415 -4.050 1.00 0.00 C ATOM 1136 C ASN A 79 -3.106 -8.513 -4.192 1.00 0.00 C ATOM 1137 O ASN A 79 -3.791 -8.536 -5.215 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.326 -10.852 -3.768 1.00 0.00 C ATOM 1139 CG ASN A 79 -3.263 -11.388 -4.833 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -4.481 -11.403 -4.654 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -2.697 -11.832 -5.949 1.00 0.00 N ATOM 0 H ASN A 79 -0.721 -9.656 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.324 -9.391 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.448 -11.494 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.822 -10.893 -2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.276 -12.205 -6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.683 -11.800 -6.054 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.372 -7.720 -3.160 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.513 -6.812 -3.169 1.00 0.00 C ATOM 1150 C TYR A 80 -4.065 -5.378 -3.438 1.00 0.00 C ATOM 1151 O TYR A 80 -4.754 -4.617 -4.117 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.259 -6.883 -1.835 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.359 -7.920 -1.812 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.134 -9.211 -2.275 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.623 -7.609 -1.327 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.137 -10.161 -2.256 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.631 -8.554 -1.303 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.383 -9.828 -1.769 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.384 -10.772 -1.747 1.00 0.00 O ATOM 0 H TYR A 80 -2.813 -7.688 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.185 -7.121 -3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.546 -7.104 -1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.688 -5.905 -1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.159 -9.476 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.821 -6.612 -0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.946 -11.159 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.608 -8.296 -0.921 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.199 -10.376 -1.373 1.00 0.00 H new ATOM 1169 N VAL A 81 -2.905 -5.017 -2.899 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.362 -3.676 -3.082 1.00 0.00 C ATOM 1171 C VAL A 81 -1.258 -3.668 -4.132 1.00 0.00 C ATOM 1172 O VAL A 81 -0.403 -4.553 -4.157 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.804 -3.112 -1.761 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -2.910 -2.983 -0.725 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.676 -3.991 -1.242 1.00 0.00 C ATOM 0 H VAL A 81 -2.323 -5.634 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.184 -3.045 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.401 -2.117 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.496 -2.583 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.682 -2.310 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.346 -3.964 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.293 -3.578 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.052 -4.999 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.126 -4.026 -1.979 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.282 -2.661 -5.000 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.281 -2.536 -6.054 1.00 0.00 C ATOM 1187 C VAL A 82 0.347 -1.147 -6.052 1.00 0.00 C ATOM 1188 O VAL A 82 -0.261 -0.164 -5.629 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.890 -2.811 -7.442 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -1.910 -3.937 -7.364 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.522 -1.547 -8.006 1.00 0.00 C ATOM 0 H VAL A 82 -1.983 -1.920 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 82 0.489 -3.280 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.091 -3.122 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.330 -4.117 -8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.424 -4.844 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.709 -3.658 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.947 -1.759 -8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.310 -1.204 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.762 -0.771 -8.100 1.00 0.00 H new ATOM 1201 N PRO A 83 1.594 -1.061 -6.538 1.00 0.00 N ATOM 1202 CA PRO A 83 2.333 0.203 -6.605 1.00 0.00 C ATOM 1203 C PRO A 83 1.757 1.156 -7.647 1.00 0.00 C ATOM 1204 O PRO A 83 1.470 0.758 -8.775 1.00 0.00 O ATOM 1205 CB PRO A 83 3.746 -0.232 -7.002 1.00 0.00 C ATOM 1206 CG PRO A 83 3.558 -1.526 -7.715 1.00 0.00 C ATOM 1207 CD PRO A 83 2.380 -2.193 -7.060 1.00 0.00 C ATOM 0 HA PRO A 83 2.290 0.751 -5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.222 0.508 -7.645 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.384 -0.352 -6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.373 -1.363 -8.777 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.450 -2.147 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.806 -2.786 -7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.692 -2.867 -6.262 1.00 0.00 H new ATOM 1215 N ALA A 84 1.591 2.417 -7.261 1.00 0.00 N ATOM 1216 CA ALA A 84 1.052 3.427 -8.162 1.00 0.00 C ATOM 1217 C ALA A 84 1.978 3.651 -9.353 1.00 0.00 C ATOM 1218 O ALA A 84 1.648 4.395 -10.277 1.00 0.00 O ATOM 1219 CB ALA A 84 0.823 4.733 -7.416 1.00 0.00 C ATOM 0 H ALA A 84 1.822 2.763 -6.330 1.00 0.00 H new ATOM 0 HA ALA A 84 0.096 3.066 -8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.420 5.478 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.116 4.568 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.769 5.089 -7.008 1.00 0.00 H new ATOM 1225 N ASP A 85 3.138 3.005 -9.323 1.00 0.00 N ATOM 1226 CA ASP A 85 4.112 3.133 -10.401 1.00 0.00 C ATOM 1227 C ASP A 85 3.975 1.986 -11.397 1.00 0.00 C ATOM 1228 O ASP A 85 4.050 2.191 -12.609 1.00 0.00 O ATOM 1229 CB ASP A 85 5.532 3.165 -9.833 1.00 0.00 C ATOM 1230 CG ASP A 85 6.532 3.755 -10.806 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.320 4.901 -11.253 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.528 3.070 -11.123 1.00 0.00 O ATOM 0 H ASP A 85 3.427 2.388 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 85 3.917 4.069 -10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.539 3.748 -8.912 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.838 2.152 -9.571 1.00 0.00 H new ATOM 1237 N SER A 86 3.775 0.779 -10.878 1.00 0.00 N ATOM 1238 CA SER A 86 3.632 -0.402 -11.722 1.00 0.00 C ATOM 1239 C SER A 86 2.190 -0.900 -11.720 1.00 0.00 C ATOM 1240 O SER A 86 1.929 -2.079 -11.962 1.00 0.00 O ATOM 1241 CB SER A 86 4.568 -1.513 -11.243 1.00 0.00 C ATOM 1242 OG SER A 86 5.818 -1.449 -11.908 1.00 0.00 O ATOM 0 H SER A 86 3.708 0.593 -9.877 1.00 0.00 H new ATOM 0 HA SER A 86 3.901 -0.125 -12.741 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.720 -1.426 -10.167 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.106 -2.484 -11.422 1.00 0.00 H new ATOM 0 HG SER A 86 6.399 -2.168 -11.583 1.00 0.00 H new ATOM 1248 N ILE A 87 1.258 0.007 -11.446 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.157 -0.339 -11.414 1.00 0.00 C ATOM 1250 C ILE A 87 -0.494 -1.379 -12.477 1.00 0.00 C ATOM 1251 O ILE A 87 -0.594 -1.059 -13.661 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.045 0.901 -11.625 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.382 2.140 -11.019 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.421 0.678 -11.015 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.357 3.249 -10.693 1.00 0.00 C ATOM 0 H ILE A 87 1.458 0.986 -11.243 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.357 -0.755 -10.427 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.166 1.064 -12.696 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.145 1.852 -10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.367 2.518 -11.715 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.037 1.564 -11.173 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.894 -0.182 -11.489 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.319 0.492 -9.946 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.817 4.095 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.866 3.565 -11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.091 2.888 -9.973 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.668 -2.624 -12.046 1.00 0.00 N ATOM 1268 CA GLN A 88 -0.994 -3.710 -12.962 1.00 0.00 C ATOM 1269 C GLN A 88 -2.473 -3.681 -13.336 1.00 0.00 C ATOM 1270 O GLN A 88 -2.863 -4.160 -14.401 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.642 -5.059 -12.333 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.309 -5.296 -10.987 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.934 -6.632 -10.377 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -0.509 -6.703 -9.224 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -1.090 -7.701 -11.149 1.00 0.00 N ATOM 0 H GLN A 88 -0.589 -2.905 -11.069 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.405 -3.575 -13.869 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.931 -5.856 -13.018 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.439 -5.122 -12.209 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.029 -4.496 -10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.391 -5.247 -11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.446 -7.596 -12.099 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.854 -8.627 -10.792 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.290 -3.117 -12.454 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.725 -3.024 -12.692 1.00 0.00 C ATOM 1286 C ALA A 89 -5.162 -1.572 -12.855 1.00 0.00 C ATOM 1287 O ALA A 89 -6.313 -1.228 -12.590 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.493 -3.684 -11.557 1.00 0.00 C ATOM 0 H ALA A 89 -2.983 -2.717 -11.567 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.948 -3.550 -13.620 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.563 -3.607 -11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.211 -4.735 -11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.256 -3.184 -10.618 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.235 -0.725 -13.291 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.525 0.690 -13.487 1.00 0.00 C ATOM 1296 C GLU A 90 -5.951 0.888 -13.994 1.00 0.00 C ATOM 1297 O GLU A 90 -6.574 1.917 -13.736 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.532 1.306 -14.475 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.167 0.383 -15.626 1.00 0.00 C ATOM 1300 CD GLU A 90 -4.025 0.615 -16.854 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -5.265 0.525 -16.738 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -3.455 0.888 -17.932 1.00 0.00 O ATOM 0 H GLU A 90 -3.277 -0.994 -13.515 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.426 1.191 -12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.956 2.225 -14.878 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.624 1.582 -13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.119 0.530 -15.887 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.273 -0.653 -15.304 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.460 -0.106 -14.715 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.811 -0.040 -15.259 1.00 0.00 C ATOM 1311 C GLU A 91 -8.767 0.612 -14.264 1.00 0.00 C ATOM 1312 O GLU A 91 -9.730 1.272 -14.654 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.309 -1.442 -15.617 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.516 -2.103 -16.732 1.00 0.00 C ATOM 1315 CD GLU A 91 -7.739 -3.602 -16.796 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -7.677 -4.257 -15.735 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -7.976 -4.120 -17.908 1.00 0.00 O ATOM 0 H GLU A 91 -5.958 -0.966 -14.936 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.782 0.570 -16.162 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.265 -2.072 -14.729 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.356 -1.382 -15.914 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.796 -1.657 -17.686 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.454 -1.903 -16.586 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.493 0.421 -12.978 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.329 0.990 -11.927 1.00 0.00 C ATOM 1326 C TRP A 92 -9.327 2.514 -11.994 1.00 0.00 C ATOM 1327 O TRP A 92 -10.381 3.148 -11.936 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.840 0.528 -10.553 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.471 1.030 -10.210 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.307 0.316 -10.232 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.123 2.354 -9.791 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.256 1.117 -9.852 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.731 2.372 -9.577 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.852 3.528 -9.578 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.056 3.517 -9.161 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.181 4.663 -9.164 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.795 4.651 -8.960 1.00 0.00 C ATOM 0 H TRP A 92 -7.700 -0.123 -12.639 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.350 0.640 -12.080 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.544 0.866 -9.792 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.837 -0.562 -10.524 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.224 -0.725 -10.507 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.281 0.824 -9.786 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.920 3.547 -9.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.988 3.510 -9.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.735 5.575 -8.995 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.300 5.555 -8.638 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.139 3.094 -12.118 1.00 0.00 N ATOM 1349 CA TYR A 93 -8.001 4.544 -12.192 1.00 0.00 C ATOM 1350 C TYR A 93 -8.371 5.057 -13.580 1.00 0.00 C ATOM 1351 O TYR A 93 -8.881 6.167 -13.729 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.570 4.959 -11.847 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.679 5.124 -13.057 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.943 6.099 -14.011 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.572 4.305 -13.246 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -5.132 6.253 -15.119 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.755 4.452 -14.350 1.00 0.00 C ATOM 1358 CZ TYR A 93 -4.039 5.427 -15.284 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.228 5.578 -16.385 1.00 0.00 O ATOM 0 H TYR A 93 -7.258 2.583 -12.169 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.685 4.986 -11.468 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.596 5.898 -11.295 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.134 4.212 -11.184 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.797 6.748 -13.884 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.347 3.541 -12.517 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.352 7.015 -15.852 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.899 3.807 -14.481 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.962 4.696 -16.719 1.00 0.00 H new ATOM 1369 N PHE A 94 -8.110 4.239 -14.595 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.414 4.608 -15.972 1.00 0.00 C ATOM 1371 C PHE A 94 -9.909 4.857 -16.151 1.00 0.00 C ATOM 1372 O PHE A 94 -10.316 5.852 -16.749 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.950 3.510 -16.931 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.545 3.701 -17.427 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -6.294 4.450 -18.566 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.475 3.132 -16.755 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -5.003 4.628 -19.025 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.182 3.307 -17.209 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.945 4.055 -18.346 1.00 0.00 C ATOM 0 H PHE A 94 -7.689 3.316 -14.489 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.880 5.530 -16.201 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.021 2.546 -16.428 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.627 3.475 -17.785 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.117 4.900 -19.101 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.654 2.545 -15.866 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.821 5.214 -19.914 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.357 2.859 -16.675 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.935 4.192 -18.703 1.00 0.00 H new