USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=18 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 -164:sc= 1.86 USER MOD Set 1.2: A 70 THR OG1 : rot -170:sc= 1.06 USER MOD Single : A 28 THR OG1 : rot 26:sc= 0.383 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 165:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0033 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.000724) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.2!) USER MOD Single : A 56 ASN : amide:sc=-0.00075 K(o=-0.00075,f=-1.7) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.236 F(o=-1.6,f=-0.24) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= -0.0794 (180deg=-1.7!) 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 -101:sc= 0.991 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -71:sc=-0.00633! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.755 3.021 -0.789 1.00 0.00 N ATOM 325 CA THR A 28 7.047 2.890 -2.057 1.00 0.00 C ATOM 326 C THR A 28 5.546 3.077 -1.870 1.00 0.00 C ATOM 327 O THR A 28 4.958 2.546 -0.927 1.00 0.00 O ATOM 328 CB THR A 28 7.305 1.517 -2.705 1.00 0.00 C ATOM 329 OG1 THR A 28 8.672 1.135 -2.516 1.00 0.00 O ATOM 330 CG2 THR A 28 6.984 1.551 -4.191 1.00 0.00 C ATOM 0 HA THR A 28 7.429 3.671 -2.714 1.00 0.00 H new ATOM 0 HB THR A 28 6.654 0.786 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.025 1.569 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.174 0.570 -4.627 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.935 1.813 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.612 2.294 -4.682 1.00 0.00 H new ATOM 338 N ILE A 29 4.932 3.834 -2.773 1.00 0.00 N ATOM 339 CA ILE A 29 3.498 4.089 -2.707 1.00 0.00 C ATOM 340 C ILE A 29 2.704 2.906 -3.252 1.00 0.00 C ATOM 341 O ILE A 29 3.070 2.313 -4.267 1.00 0.00 O ATOM 342 CB ILE A 29 3.115 5.356 -3.494 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.493 6.609 -2.702 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.627 5.352 -3.813 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.793 6.711 -1.365 1.00 0.00 C ATOM 0 H ILE A 29 5.405 4.281 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 29 3.251 4.236 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 29 3.668 5.363 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.571 6.616 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.254 7.491 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.372 6.254 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.386 4.475 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.056 5.324 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.108 7.623 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.714 6.736 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.051 5.847 -0.752 1.00 0.00 H new ATOM 357 N PHE A 30 1.614 2.569 -2.571 1.00 0.00 N ATOM 358 CA PHE A 30 0.766 1.457 -2.987 1.00 0.00 C ATOM 359 C PHE A 30 -0.708 1.785 -2.767 1.00 0.00 C ATOM 360 O PHE A 30 -1.071 2.436 -1.787 1.00 0.00 O ATOM 361 CB PHE A 30 1.139 0.189 -2.217 1.00 0.00 C ATOM 362 CG PHE A 30 2.264 -0.585 -2.844 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.542 -0.053 -2.897 1.00 0.00 C ATOM 364 CD2 PHE A 30 2.042 -1.843 -3.380 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.578 -0.763 -3.474 1.00 0.00 C ATOM 366 CE2 PHE A 30 3.075 -2.557 -3.958 1.00 0.00 C ATOM 367 CZ PHE A 30 4.345 -2.017 -4.004 1.00 0.00 C ATOM 0 H PHE A 30 1.297 3.049 -1.729 1.00 0.00 H new ATOM 0 HA PHE A 30 0.927 1.288 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.419 0.461 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.262 -0.454 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.731 0.927 -2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.051 -2.271 -3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.570 -0.337 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.889 -3.536 -4.373 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.154 -2.574 -4.453 1.00 0.00 H new ATOM 377 N VAL A 31 -1.553 1.329 -3.686 1.00 0.00 N ATOM 378 CA VAL A 31 -2.987 1.573 -3.593 1.00 0.00 C ATOM 379 C VAL A 31 -3.760 0.264 -3.469 1.00 0.00 C ATOM 380 O VAL A 31 -3.358 -0.760 -4.019 1.00 0.00 O ATOM 381 CB VAL A 31 -3.505 2.348 -4.819 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.995 2.107 -5.013 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.211 3.833 -4.674 1.00 0.00 C ATOM 0 H VAL A 31 -1.269 0.789 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.149 2.174 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.984 1.983 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.343 2.663 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.175 1.043 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.536 2.443 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.584 4.365 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.703 4.216 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.135 3.984 -4.589 1.00 0.00 H new ATOM 393 N ALA A 32 -4.871 0.307 -2.742 1.00 0.00 N ATOM 394 CA ALA A 32 -5.702 -0.874 -2.547 1.00 0.00 C ATOM 395 C ALA A 32 -6.792 -0.961 -3.610 1.00 0.00 C ATOM 396 O ALA A 32 -7.675 -0.104 -3.679 1.00 0.00 O ATOM 397 CB ALA A 32 -6.319 -0.863 -1.156 1.00 0.00 C ATOM 0 H ALA A 32 -5.216 1.147 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.066 -1.754 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.937 -1.751 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.527 -0.858 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.935 0.028 -1.038 1.00 0.00 H new ATOM 403 N LEU A 33 -6.725 -1.998 -4.436 1.00 0.00 N ATOM 404 CA LEU A 33 -7.707 -2.196 -5.497 1.00 0.00 C ATOM 405 C LEU A 33 -8.982 -2.829 -4.949 1.00 0.00 C ATOM 406 O LEU A 33 -10.084 -2.523 -5.403 1.00 0.00 O ATOM 407 CB LEU A 33 -7.122 -3.076 -6.603 1.00 0.00 C ATOM 408 CG LEU A 33 -5.681 -2.769 -7.013 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.127 -3.881 -7.890 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.606 -1.431 -7.735 1.00 0.00 C ATOM 0 H LEU A 33 -6.001 -2.715 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.958 -1.220 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.173 -4.115 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.756 -2.987 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.072 -2.708 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.101 -3.645 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.145 -4.822 -7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.738 -3.974 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.573 -1.228 -8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.229 -1.465 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.962 -0.641 -7.074 1.00 0.00 H new ATOM 422 N TYR A 34 -8.823 -3.712 -3.969 1.00 0.00 N ATOM 423 CA TYR A 34 -9.961 -4.389 -3.358 1.00 0.00 C ATOM 424 C TYR A 34 -10.122 -3.975 -1.898 1.00 0.00 C ATOM 425 O TYR A 34 -9.149 -3.620 -1.231 1.00 0.00 O ATOM 426 CB TYR A 34 -9.790 -5.906 -3.454 1.00 0.00 C ATOM 427 CG TYR A 34 -9.082 -6.357 -4.711 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.773 -6.503 -5.908 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.721 -6.639 -4.702 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.130 -6.915 -7.059 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.070 -7.050 -5.849 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.778 -7.187 -7.024 1.00 0.00 C ATOM 433 OH TYR A 34 -7.133 -7.599 -8.168 1.00 0.00 O ATOM 0 H TYR A 34 -7.917 -3.976 -3.581 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.860 -4.096 -3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.230 -6.256 -2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.772 -6.377 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.831 -6.291 -5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.163 -6.535 -3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.682 -7.024 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.011 -7.263 -5.825 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.184 -7.747 -7.973 1.00 0.00 H new ATOM 443 N ASP A 35 -11.356 -4.024 -1.409 1.00 0.00 N ATOM 444 CA ASP A 35 -11.645 -3.657 -0.028 1.00 0.00 C ATOM 445 C ASP A 35 -11.418 -4.840 0.908 1.00 0.00 C ATOM 446 O ASP A 35 -11.939 -5.932 0.683 1.00 0.00 O ATOM 447 CB ASP A 35 -13.087 -3.160 0.099 1.00 0.00 C ATOM 448 CG ASP A 35 -14.066 -4.026 -0.669 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.971 -4.068 -1.913 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.929 -4.660 -0.026 1.00 0.00 O ATOM 0 H ASP A 35 -12.172 -4.314 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.965 -2.855 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.371 -3.141 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.149 -2.135 -0.266 1.00 0.00 H new ATOM 455 N TYR A 36 -10.636 -4.614 1.958 1.00 0.00 N ATOM 456 CA TYR A 36 -10.336 -5.662 2.927 1.00 0.00 C ATOM 457 C TYR A 36 -10.565 -5.168 4.352 1.00 0.00 C ATOM 458 O TYR A 36 -10.749 -3.974 4.584 1.00 0.00 O ATOM 459 CB TYR A 36 -8.891 -6.137 2.766 1.00 0.00 C ATOM 460 CG TYR A 36 -8.442 -7.090 3.851 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.775 -8.438 3.800 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.686 -6.642 4.926 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.368 -9.311 4.790 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.273 -7.509 5.919 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.616 -8.842 5.847 1.00 0.00 C ATOM 466 OH TYR A 36 -7.208 -9.709 6.835 1.00 0.00 O ATOM 0 H TYR A 36 -10.199 -3.715 2.160 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.009 -6.498 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.784 -6.626 1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.231 -5.270 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.362 -8.809 2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.416 -5.598 4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.637 -10.356 4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.684 -7.144 6.748 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.502 -9.288 7.369 1.00 0.00 H new ATOM 476 N GLU A 37 -10.552 -6.098 5.303 1.00 0.00 N ATOM 477 CA GLU A 37 -10.758 -5.757 6.706 1.00 0.00 C ATOM 478 C GLU A 37 -9.766 -6.499 7.597 1.00 0.00 C ATOM 479 O GLU A 37 -9.719 -7.729 7.601 1.00 0.00 O ATOM 480 CB GLU A 37 -12.190 -6.091 7.129 1.00 0.00 C ATOM 481 CG GLU A 37 -12.452 -5.876 8.611 1.00 0.00 C ATOM 482 CD GLU A 37 -12.653 -4.414 8.961 1.00 0.00 C ATOM 483 OE1 GLU A 37 -12.972 -3.623 8.050 1.00 0.00 O ATOM 484 OE2 GLU A 37 -12.490 -4.062 10.149 1.00 0.00 O ATOM 0 H GLU A 37 -10.401 -7.091 5.127 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.593 -4.686 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.883 -5.477 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.401 -7.131 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.336 -6.441 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.614 -6.272 9.186 1.00 0.00 H new ATOM 491 N ALA A 38 -8.975 -5.742 8.350 1.00 0.00 N ATOM 492 CA ALA A 38 -7.986 -6.327 9.247 1.00 0.00 C ATOM 493 C ALA A 38 -8.617 -7.383 10.148 1.00 0.00 C ATOM 494 O ALA A 38 -9.435 -7.067 11.011 1.00 0.00 O ATOM 495 CB ALA A 38 -7.326 -5.242 10.084 1.00 0.00 C ATOM 0 H ALA A 38 -9.000 -4.722 8.357 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.225 -6.815 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.590 -5.693 10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.831 -4.526 9.427 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.083 -4.728 10.676 1.00 0.00 H new ATOM 501 N ARG A 39 -8.232 -8.638 9.940 1.00 0.00 N ATOM 502 CA ARG A 39 -8.762 -9.741 10.733 1.00 0.00 C ATOM 503 C ARG A 39 -8.344 -9.610 12.194 1.00 0.00 C ATOM 504 O ARG A 39 -9.163 -9.754 13.102 1.00 0.00 O ATOM 505 CB ARG A 39 -8.280 -11.079 10.170 1.00 0.00 C ATOM 506 CG ARG A 39 -9.099 -11.574 8.989 1.00 0.00 C ATOM 507 CD ARG A 39 -8.422 -12.745 8.294 1.00 0.00 C ATOM 508 NE ARG A 39 -8.703 -14.014 8.960 1.00 0.00 N ATOM 509 CZ ARG A 39 -8.225 -15.182 8.547 1.00 0.00 C ATOM 510 NH1 ARG A 39 -7.446 -15.242 7.476 1.00 0.00 N ATOM 511 NH2 ARG A 39 -8.525 -16.294 9.206 1.00 0.00 N ATOM 0 H ARG A 39 -7.555 -8.916 9.229 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.850 -9.704 10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.239 -10.980 9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.310 -11.828 10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.089 -11.876 9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.242 -10.761 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.760 -12.796 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.345 -12.579 8.270 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.299 -14.002 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.212 -14.390 6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.080 -16.141 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.123 -16.252 10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.157 -17.191 8.888 1.00 0.00 H new ATOM 525 N THR A 40 -7.062 -9.337 12.415 1.00 0.00 N ATOM 526 CA THR A 40 -6.533 -9.189 13.765 1.00 0.00 C ATOM 527 C THR A 40 -5.760 -7.884 13.913 1.00 0.00 C ATOM 528 O THR A 40 -5.363 -7.269 12.923 1.00 0.00 O ATOM 529 CB THR A 40 -5.610 -10.364 14.139 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.403 -10.303 13.371 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.304 -11.696 13.897 1.00 0.00 C ATOM 0 H THR A 40 -6.370 -9.214 11.676 1.00 0.00 H new ATOM 0 HA THR A 40 -7.389 -9.180 14.440 1.00 0.00 H new ATOM 0 HB THR A 40 -5.370 -10.285 15.199 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.821 -11.053 13.616 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.633 -12.511 14.168 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.207 -11.752 14.505 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.571 -11.781 12.844 1.00 0.00 H new ATOM 539 N THR A 41 -5.548 -7.464 15.157 1.00 0.00 N ATOM 540 CA THR A 41 -4.822 -6.231 15.434 1.00 0.00 C ATOM 541 C THR A 41 -3.525 -6.166 14.637 1.00 0.00 C ATOM 542 O THR A 41 -3.083 -5.087 14.241 1.00 0.00 O ATOM 543 CB THR A 41 -4.498 -6.096 16.934 1.00 0.00 C ATOM 544 OG1 THR A 41 -5.709 -6.047 17.695 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.676 -4.843 17.199 1.00 0.00 C ATOM 0 H THR A 41 -5.869 -7.960 15.988 1.00 0.00 H new ATOM 0 HA THR A 41 -5.470 -5.408 15.134 1.00 0.00 H new ATOM 0 HB THR A 41 -3.915 -6.966 17.236 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.494 -5.963 18.647 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.459 -4.769 18.265 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.741 -4.897 16.641 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.238 -3.965 16.881 1.00 0.00 H new ATOM 553 N GLU A 42 -2.918 -7.326 14.405 1.00 0.00 N ATOM 554 CA GLU A 42 -1.670 -7.398 13.655 1.00 0.00 C ATOM 555 C GLU A 42 -1.896 -7.039 12.189 1.00 0.00 C ATOM 556 O GLU A 42 -1.022 -6.467 11.537 1.00 0.00 O ATOM 557 CB GLU A 42 -1.066 -8.800 13.761 1.00 0.00 C ATOM 558 CG GLU A 42 -0.585 -9.151 15.159 1.00 0.00 C ATOM 559 CD GLU A 42 0.862 -8.763 15.392 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.752 -9.394 14.783 1.00 0.00 O ATOM 561 OE2 GLU A 42 1.105 -7.828 16.184 1.00 0.00 O ATOM 0 H GLU A 42 -3.270 -8.228 14.726 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.975 -6.677 14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.810 -9.532 13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.229 -8.879 13.067 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.215 -8.648 15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.701 -10.223 15.321 1.00 0.00 H new ATOM 568 N ASP A 43 -3.073 -7.380 11.676 1.00 0.00 N ATOM 569 CA ASP A 43 -3.414 -7.094 10.288 1.00 0.00 C ATOM 570 C ASP A 43 -3.754 -5.618 10.105 1.00 0.00 C ATOM 571 O ASP A 43 -4.084 -4.922 11.066 1.00 0.00 O ATOM 572 CB ASP A 43 -4.593 -7.960 9.841 1.00 0.00 C ATOM 573 CG ASP A 43 -4.149 -9.293 9.271 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.758 -9.330 8.085 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.192 -10.298 10.010 1.00 0.00 O ATOM 0 H ASP A 43 -3.807 -7.855 12.201 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.546 -7.328 9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.255 -8.133 10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.171 -7.422 9.090 1.00 0.00 H new ATOM 580 N LEU A 44 -3.669 -5.147 8.866 1.00 0.00 N ATOM 581 CA LEU A 44 -3.966 -3.752 8.556 1.00 0.00 C ATOM 582 C LEU A 44 -5.239 -3.639 7.723 1.00 0.00 C ATOM 583 O LEU A 44 -5.365 -4.272 6.675 1.00 0.00 O ATOM 584 CB LEU A 44 -2.794 -3.115 7.807 1.00 0.00 C ATOM 585 CG LEU A 44 -2.597 -1.614 8.022 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.893 -0.991 6.826 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.933 -0.931 8.273 1.00 0.00 C ATOM 0 H LEU A 44 -3.397 -5.710 8.060 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.120 -3.221 9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.878 -3.627 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.930 -3.294 6.740 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.969 -1.472 8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.762 0.077 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.918 -1.460 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.494 -1.144 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.773 0.137 8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.586 -1.082 7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.398 -1.357 9.162 1.00 0.00 H new ATOM 599 N SER A 45 -6.178 -2.826 8.196 1.00 0.00 N ATOM 600 CA SER A 45 -7.442 -2.630 7.495 1.00 0.00 C ATOM 601 C SER A 45 -7.315 -1.535 6.441 1.00 0.00 C ATOM 602 O SER A 45 -6.673 -0.510 6.668 1.00 0.00 O ATOM 603 CB SER A 45 -8.550 -2.271 8.488 1.00 0.00 C ATOM 604 OG SER A 45 -9.830 -2.527 7.939 1.00 0.00 O ATOM 0 H SER A 45 -6.088 -2.293 9.061 1.00 0.00 H new ATOM 0 HA SER A 45 -7.700 -3.564 6.995 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.422 -2.847 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.472 -1.218 8.760 1.00 0.00 H new ATOM 0 HG SER A 45 -10.520 -2.291 8.594 1.00 0.00 H new ATOM 610 N PHE A 46 -7.932 -1.761 5.285 1.00 0.00 N ATOM 611 CA PHE A 46 -7.888 -0.795 4.194 1.00 0.00 C ATOM 612 C PHE A 46 -9.144 -0.889 3.333 1.00 0.00 C ATOM 613 O PHE A 46 -9.907 -1.850 3.431 1.00 0.00 O ATOM 614 CB PHE A 46 -6.646 -1.025 3.331 1.00 0.00 C ATOM 615 CG PHE A 46 -6.392 -2.472 3.020 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.856 -3.317 3.979 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.689 -2.989 1.769 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.620 -4.649 3.696 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.456 -4.320 1.480 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.922 -5.151 2.445 1.00 0.00 C ATOM 0 H PHE A 46 -8.468 -2.604 5.080 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.841 0.204 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.756 -0.475 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.776 -0.614 3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.620 -2.930 4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.108 -2.344 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.200 -5.296 4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.691 -4.710 0.501 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.741 -6.192 2.222 1.00 0.00 H new ATOM 630 N LYS A 47 -9.353 0.115 2.489 1.00 0.00 N ATOM 631 CA LYS A 47 -10.515 0.148 1.609 1.00 0.00 C ATOM 632 C LYS A 47 -10.093 0.354 0.158 1.00 0.00 C ATOM 633 O LYS A 47 -9.012 0.876 -0.118 1.00 0.00 O ATOM 634 CB LYS A 47 -11.473 1.262 2.036 1.00 0.00 C ATOM 635 CG LYS A 47 -12.086 1.044 3.408 1.00 0.00 C ATOM 636 CD LYS A 47 -13.177 -0.014 3.370 1.00 0.00 C ATOM 637 CE LYS A 47 -14.240 0.244 4.427 1.00 0.00 C ATOM 638 NZ LYS A 47 -15.174 1.330 4.021 1.00 0.00 N ATOM 0 H LYS A 47 -8.731 0.918 2.396 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.026 -0.812 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.937 2.211 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.272 1.345 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.309 0.742 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.501 1.983 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.639 -0.026 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.736 -0.998 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.804 -0.672 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.759 0.512 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.641 1.720 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.642 2.084 3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.892 0.946 3.374 1.00 0.00 H new ATOM 652 N LYS A 48 -10.953 -0.058 -0.768 1.00 0.00 N ATOM 653 CA LYS A 48 -10.671 0.084 -2.192 1.00 0.00 C ATOM 654 C LYS A 48 -10.439 1.547 -2.557 1.00 0.00 C ATOM 655 O LYS A 48 -11.378 2.341 -2.605 1.00 0.00 O ATOM 656 CB LYS A 48 -11.826 -0.483 -3.020 1.00 0.00 C ATOM 657 CG LYS A 48 -11.709 -0.192 -4.506 1.00 0.00 C ATOM 658 CD LYS A 48 -12.572 -1.135 -5.328 1.00 0.00 C ATOM 659 CE LYS A 48 -12.473 -0.828 -6.815 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.490 -1.575 -7.605 1.00 0.00 N ATOM 0 H LYS A 48 -11.851 -0.493 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.763 -0.476 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.873 -1.562 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.764 -0.070 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.007 0.838 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.668 -0.287 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.263 -2.164 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.610 -1.053 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.604 0.242 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.476 -1.084 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.389 -1.338 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.349 -2.597 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.443 -1.312 -7.281 1.00 0.00 H new ATOM 674 N GLY A 49 -9.183 1.895 -2.816 1.00 0.00 N ATOM 675 CA GLY A 49 -8.851 3.262 -3.176 1.00 0.00 C ATOM 676 C GLY A 49 -8.114 3.990 -2.069 1.00 0.00 C ATOM 677 O GLY A 49 -8.221 5.209 -1.942 1.00 0.00 O ATOM 0 H GLY A 49 -8.389 1.256 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.236 3.258 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.766 3.804 -3.417 1.00 0.00 H new ATOM 681 N GLU A 50 -7.366 3.240 -1.266 1.00 0.00 N ATOM 682 CA GLU A 50 -6.611 3.823 -0.163 1.00 0.00 C ATOM 683 C GLU A 50 -5.112 3.609 -0.356 1.00 0.00 C ATOM 684 O GLU A 50 -4.687 2.602 -0.922 1.00 0.00 O ATOM 685 CB GLU A 50 -7.057 3.213 1.168 1.00 0.00 C ATOM 686 CG GLU A 50 -6.560 3.977 2.384 1.00 0.00 C ATOM 687 CD GLU A 50 -7.253 5.314 2.557 1.00 0.00 C ATOM 688 OE1 GLU A 50 -7.107 6.178 1.667 1.00 0.00 O ATOM 689 OE2 GLU A 50 -7.941 5.497 3.583 1.00 0.00 O ATOM 0 H GLU A 50 -7.267 2.229 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.808 4.895 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.146 3.174 1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.700 2.185 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.717 3.372 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.486 4.138 2.293 1.00 0.00 H new ATOM 696 N ARG A 51 -4.318 4.564 0.118 1.00 0.00 N ATOM 697 CA ARG A 51 -2.868 4.481 -0.004 1.00 0.00 C ATOM 698 C ARG A 51 -2.236 4.035 1.311 1.00 0.00 C ATOM 699 O ARG A 51 -2.860 4.113 2.370 1.00 0.00 O ATOM 700 CB ARG A 51 -2.292 5.835 -0.425 1.00 0.00 C ATOM 701 CG ARG A 51 -2.828 6.337 -1.756 1.00 0.00 C ATOM 702 CD ARG A 51 -1.817 7.225 -2.464 1.00 0.00 C ATOM 703 NE ARG A 51 -2.464 8.224 -3.310 1.00 0.00 N ATOM 704 CZ ARG A 51 -3.138 9.265 -2.834 1.00 0.00 C ATOM 705 NH1 ARG A 51 -3.253 9.442 -1.525 1.00 0.00 N ATOM 706 NH2 ARG A 51 -3.699 10.132 -3.667 1.00 0.00 N ATOM 0 H ARG A 51 -4.655 5.403 0.590 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.635 3.740 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.514 6.571 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.207 5.755 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.077 5.488 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.751 6.894 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.193 7.726 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.156 6.608 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.395 8.117 -4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.823 8.778 -0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.771 10.242 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.613 10.000 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.216 10.931 -3.300 1.00 0.00 H new ATOM 720 N PHE A 52 -0.995 3.566 1.236 1.00 0.00 N ATOM 721 CA PHE A 52 -0.279 3.106 2.421 1.00 0.00 C ATOM 722 C PHE A 52 1.225 3.065 2.165 1.00 0.00 C ATOM 723 O PHE A 52 1.674 2.605 1.116 1.00 0.00 O ATOM 724 CB PHE A 52 -0.775 1.719 2.835 1.00 0.00 C ATOM 725 CG PHE A 52 -2.272 1.603 2.867 1.00 0.00 C ATOM 726 CD1 PHE A 52 -2.984 1.329 1.710 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.968 1.768 4.054 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.362 1.221 1.735 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.346 1.660 4.085 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.044 1.388 2.925 1.00 0.00 C ATOM 0 H PHE A 52 -0.464 3.494 0.368 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.473 3.811 3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.376 0.978 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.379 1.480 3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.456 1.198 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.428 1.983 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.904 1.006 0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.877 1.788 5.017 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.121 1.306 2.948 1.00 0.00 H new ATOM 740 N GLN A 53 1.996 3.550 3.133 1.00 0.00 N ATOM 741 CA GLN A 53 3.449 3.570 3.012 1.00 0.00 C ATOM 742 C GLN A 53 4.044 2.212 3.370 1.00 0.00 C ATOM 743 O GLN A 53 3.980 1.779 4.521 1.00 0.00 O ATOM 744 CB GLN A 53 4.042 4.653 3.915 1.00 0.00 C ATOM 745 CG GLN A 53 4.044 6.036 3.285 1.00 0.00 C ATOM 746 CD GLN A 53 4.073 7.147 4.316 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.565 6.992 5.427 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.670 8.277 3.953 1.00 0.00 N ATOM 0 H GLN A 53 1.640 3.934 4.008 1.00 0.00 H new ATOM 0 HA GLN A 53 3.699 3.794 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.476 4.688 4.846 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.065 4.379 4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.910 6.131 2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.158 6.148 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.078 8.362 3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.721 9.059 4.605 1.00 0.00 H new ATOM 757 N ILE A 54 4.621 1.544 2.376 1.00 0.00 N ATOM 758 CA ILE A 54 5.228 0.236 2.587 1.00 0.00 C ATOM 759 C ILE A 54 6.443 0.334 3.503 1.00 0.00 C ATOM 760 O ILE A 54 7.501 0.817 3.098 1.00 0.00 O ATOM 761 CB ILE A 54 5.655 -0.408 1.254 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.475 -0.448 0.281 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.199 -1.808 1.493 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.290 -1.234 0.800 1.00 0.00 C ATOM 0 H ILE A 54 4.681 1.887 1.417 1.00 0.00 H new ATOM 0 HA ILE A 54 4.471 -0.390 3.058 1.00 0.00 H new ATOM 0 HB ILE A 54 6.446 0.197 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.158 0.572 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.806 -0.885 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.496 -2.250 0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.064 -1.754 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.427 -2.424 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.491 -1.220 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.591 -2.264 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.933 -0.785 1.727 1.00 0.00 H new ATOM 776 N ILE A 55 6.284 -0.129 4.739 1.00 0.00 N ATOM 777 CA ILE A 55 7.369 -0.096 5.711 1.00 0.00 C ATOM 778 C ILE A 55 8.296 -1.294 5.541 1.00 0.00 C ATOM 779 O ILE A 55 9.518 -1.150 5.530 1.00 0.00 O ATOM 780 CB ILE A 55 6.831 -0.078 7.154 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.829 1.065 7.334 1.00 0.00 C ATOM 782 CG2 ILE A 55 7.977 0.054 8.146 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.769 0.780 8.375 1.00 0.00 C ATOM 0 H ILE A 55 5.415 -0.531 5.090 1.00 0.00 H new ATOM 0 HA ILE A 55 7.928 0.822 5.529 1.00 0.00 H new ATOM 0 HB ILE A 55 6.318 -1.020 7.346 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.368 1.970 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.344 1.266 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.580 0.065 9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.657 -0.791 8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.517 0.982 7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.094 1.632 8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.204 -0.106 8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.244 0.608 9.341 1.00 0.00 H new ATOM 795 N ASN A 56 7.706 -2.478 5.408 1.00 0.00 N ATOM 796 CA ASN A 56 8.480 -3.702 5.237 1.00 0.00 C ATOM 797 C ASN A 56 7.818 -4.626 4.218 1.00 0.00 C ATOM 798 O ASN A 56 6.646 -4.975 4.351 1.00 0.00 O ATOM 799 CB ASN A 56 8.631 -4.426 6.576 1.00 0.00 C ATOM 800 CG ASN A 56 9.922 -5.216 6.664 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.541 -5.530 5.648 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.334 -5.542 7.884 1.00 0.00 N ATOM 0 H ASN A 56 6.695 -2.615 5.415 1.00 0.00 H new ATOM 0 HA ASN A 56 9.468 -3.429 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.599 -3.697 7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.786 -5.099 6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.196 -6.074 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.789 -5.260 8.699 1.00 0.00 H new ATOM 809 N ASN A 57 8.579 -5.018 3.202 1.00 0.00 N ATOM 810 CA ASN A 57 8.067 -5.902 2.160 1.00 0.00 C ATOM 811 C ASN A 57 8.966 -7.123 1.993 1.00 0.00 C ATOM 812 O ASN A 57 9.293 -7.519 0.873 1.00 0.00 O ATOM 813 CB ASN A 57 7.957 -5.149 0.833 1.00 0.00 C ATOM 814 CG ASN A 57 9.306 -4.681 0.321 1.00 0.00 C ATOM 815 OD1 ASN A 57 9.522 -3.371 0.336 1.00 0.00 O flip ATOM 816 ND2 ASN A 57 10.143 -5.488 -0.083 1.00 0.00 N flip ATOM 0 H ASN A 57 9.552 -4.738 3.077 1.00 0.00 H new ATOM 0 HA ASN A 57 7.076 -6.242 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.493 -5.796 0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.301 -4.288 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.934 -6.486 -0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.046 -5.158 -0.425 1.00 0.00 H new ATOM 823 N THR A 58 9.362 -7.718 3.114 1.00 0.00 N ATOM 824 CA THR A 58 10.223 -8.894 3.092 1.00 0.00 C ATOM 825 C THR A 58 9.446 -10.136 2.672 1.00 0.00 C ATOM 826 O THR A 58 9.905 -10.911 1.833 1.00 0.00 O ATOM 827 CB THR A 58 10.865 -9.146 4.469 1.00 0.00 C ATOM 828 OG1 THR A 58 11.690 -10.315 4.419 1.00 0.00 O ATOM 829 CG2 THR A 58 9.798 -9.317 5.541 1.00 0.00 C ATOM 0 H THR A 58 9.100 -7.405 4.049 1.00 0.00 H new ATOM 0 HA THR A 58 11.009 -8.696 2.363 1.00 0.00 H new ATOM 0 HB THR A 58 11.477 -8.281 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.096 -10.467 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.276 -9.494 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.191 -8.414 5.597 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.163 -10.166 5.290 1.00 0.00 H new ATOM 837 N GLU A 59 8.267 -10.319 3.259 1.00 0.00 N ATOM 838 CA GLU A 59 7.428 -11.469 2.944 1.00 0.00 C ATOM 839 C GLU A 59 6.281 -11.068 2.020 1.00 0.00 C ATOM 840 O GLU A 59 5.456 -10.224 2.366 1.00 0.00 O ATOM 841 CB GLU A 59 6.870 -12.088 4.227 1.00 0.00 C ATOM 842 CG GLU A 59 6.373 -11.062 5.232 1.00 0.00 C ATOM 843 CD GLU A 59 5.241 -11.589 6.092 1.00 0.00 C ATOM 844 OE1 GLU A 59 4.111 -11.714 5.575 1.00 0.00 O ATOM 845 OE2 GLU A 59 5.485 -11.876 7.283 1.00 0.00 O ATOM 0 H GLU A 59 7.872 -9.686 3.955 1.00 0.00 H new ATOM 0 HA GLU A 59 8.045 -12.207 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.050 -12.759 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.645 -12.696 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.200 -10.757 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.037 -10.172 4.701 1.00 0.00 H new ATOM 852 N GLY A 60 6.238 -11.681 0.841 1.00 0.00 N ATOM 853 CA GLY A 60 5.190 -11.375 -0.116 1.00 0.00 C ATOM 854 C GLY A 60 3.803 -11.620 0.445 1.00 0.00 C ATOM 855 O GLY A 60 2.885 -10.832 0.216 1.00 0.00 O ATOM 0 H GLY A 60 6.910 -12.384 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.276 -10.333 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.330 -11.983 -1.010 1.00 0.00 H new ATOM 859 N ASP A 61 3.649 -12.716 1.180 1.00 0.00 N ATOM 860 CA ASP A 61 2.364 -13.064 1.775 1.00 0.00 C ATOM 861 C ASP A 61 1.669 -11.824 2.329 1.00 0.00 C ATOM 862 O ASP A 61 0.504 -11.567 2.027 1.00 0.00 O ATOM 863 CB ASP A 61 2.555 -14.096 2.886 1.00 0.00 C ATOM 864 CG ASP A 61 3.522 -15.196 2.495 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.743 -15.005 2.678 1.00 0.00 O ATOM 866 OD2 ASP A 61 3.059 -16.248 2.005 1.00 0.00 O ATOM 0 H ASP A 61 4.398 -13.379 1.378 1.00 0.00 H new ATOM 0 HA ASP A 61 1.735 -13.494 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.921 -13.596 3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.591 -14.537 3.138 1.00 0.00 H new ATOM 871 N TRP A 62 2.391 -11.061 3.141 1.00 0.00 N ATOM 872 CA TRP A 62 1.843 -9.848 3.739 1.00 0.00 C ATOM 873 C TRP A 62 2.932 -8.801 3.941 1.00 0.00 C ATOM 874 O TRP A 62 4.012 -9.105 4.447 1.00 0.00 O ATOM 875 CB TRP A 62 1.174 -10.172 5.076 1.00 0.00 C ATOM 876 CG TRP A 62 0.067 -11.175 4.959 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.197 -12.518 4.744 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.338 -10.915 5.049 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.043 -13.108 4.695 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.001 -12.147 4.881 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.101 -9.763 5.258 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.389 -12.255 4.913 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.478 -9.872 5.290 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.110 -11.111 5.119 1.00 0.00 C ATOM 0 H TRP A 62 3.357 -11.260 3.401 1.00 0.00 H new ATOM 0 HA TRP A 62 1.097 -9.441 3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.926 -10.551 5.768 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.778 -9.253 5.508 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.136 -13.039 4.629 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.221 -14.101 4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.623 -8.804 5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.879 -13.208 4.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.077 -8.988 5.449 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.188 -11.164 5.151 1.00 0.00 H new ATOM 895 N TRP A 63 2.641 -7.567 3.544 1.00 0.00 N ATOM 896 CA TRP A 63 3.597 -6.475 3.682 1.00 0.00 C ATOM 897 C TRP A 63 3.154 -5.497 4.765 1.00 0.00 C ATOM 898 O TRP A 63 1.965 -5.210 4.905 1.00 0.00 O ATOM 899 CB TRP A 63 3.759 -5.740 2.350 1.00 0.00 C ATOM 900 CG TRP A 63 4.453 -6.557 1.302 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.278 -7.625 1.509 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.383 -6.370 -0.116 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.725 -8.113 0.305 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.190 -7.361 -0.707 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.715 -5.463 -0.943 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.346 -7.468 -2.086 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.872 -5.570 -2.312 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.681 -6.566 -2.873 1.00 0.00 C ATOM 0 H TRP A 63 1.751 -7.298 3.124 1.00 0.00 H new ATOM 0 HA TRP A 63 4.557 -6.901 3.973 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.775 -5.449 1.982 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.322 -4.821 2.516 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.540 -8.027 2.476 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.354 -8.907 0.184 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.087 -4.692 -0.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.970 -8.235 -2.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.362 -4.873 -2.961 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.782 -6.624 -3.947 1.00 0.00 H new ATOM 919 N GLU A 64 4.116 -4.990 5.529 1.00 0.00 N ATOM 920 CA GLU A 64 3.823 -4.045 6.599 1.00 0.00 C ATOM 921 C GLU A 64 3.811 -2.612 6.073 1.00 0.00 C ATOM 922 O GLU A 64 4.837 -2.092 5.637 1.00 0.00 O ATOM 923 CB GLU A 64 4.852 -4.178 7.724 1.00 0.00 C ATOM 924 CG GLU A 64 4.565 -3.286 8.920 1.00 0.00 C ATOM 925 CD GLU A 64 5.411 -3.640 10.128 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.131 -4.658 10.070 1.00 0.00 O ATOM 927 OE2 GLU A 64 5.351 -2.899 11.131 1.00 0.00 O ATOM 0 H GLU A 64 5.105 -5.218 5.427 1.00 0.00 H new ATOM 0 HA GLU A 64 2.833 -4.278 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.884 -5.216 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.840 -3.938 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.747 -2.247 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.510 -3.366 9.184 1.00 0.00 H new ATOM 934 N ALA A 65 2.642 -1.981 6.118 1.00 0.00 N ATOM 935 CA ALA A 65 2.496 -0.609 5.647 1.00 0.00 C ATOM 936 C ALA A 65 1.733 0.239 6.659 1.00 0.00 C ATOM 937 O ALA A 65 0.982 -0.284 7.482 1.00 0.00 O ATOM 938 CB ALA A 65 1.793 -0.586 4.298 1.00 0.00 C ATOM 0 H ALA A 65 1.783 -2.398 6.476 1.00 0.00 H new ATOM 0 HA ALA A 65 3.492 -0.182 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.691 0.445 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.379 -1.151 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.805 -1.036 4.395 1.00 0.00 H new ATOM 944 N ARG A 66 1.931 1.552 6.592 1.00 0.00 N ATOM 945 CA ARG A 66 1.263 2.473 7.503 1.00 0.00 C ATOM 946 C ARG A 66 0.407 3.474 6.733 1.00 0.00 C ATOM 947 O ARG A 66 0.924 4.417 6.134 1.00 0.00 O ATOM 948 CB ARG A 66 2.292 3.216 8.356 1.00 0.00 C ATOM 949 CG ARG A 66 1.678 4.240 9.297 1.00 0.00 C ATOM 950 CD ARG A 66 2.625 5.403 9.549 1.00 0.00 C ATOM 951 NE ARG A 66 2.395 6.024 10.851 1.00 0.00 N ATOM 952 CZ ARG A 66 3.162 6.985 11.353 1.00 0.00 C ATOM 953 NH1 ARG A 66 4.203 7.434 10.665 1.00 0.00 N ATOM 954 NH2 ARG A 66 2.888 7.500 12.544 1.00 0.00 N ATOM 0 H ARG A 66 2.549 2.001 5.916 1.00 0.00 H new ATOM 0 HA ARG A 66 0.612 1.891 8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.858 2.491 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.001 3.719 7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.746 4.613 8.872 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.427 3.762 10.244 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.655 5.051 9.492 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.500 6.149 8.764 1.00 0.00 H new ATOM 0 HE ARG A 66 1.602 5.702 11.405 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.416 7.041 9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.791 8.172 11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.087 7.158 13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.478 8.238 12.928 1.00 0.00 H new ATOM 968 N SER A 67 -0.905 3.262 6.753 1.00 0.00 N ATOM 969 CA SER A 67 -1.833 4.143 6.054 1.00 0.00 C ATOM 970 C SER A 67 -1.452 5.606 6.258 1.00 0.00 C ATOM 971 O SER A 67 -1.088 6.015 7.361 1.00 0.00 O ATOM 972 CB SER A 67 -3.263 3.904 6.542 1.00 0.00 C ATOM 973 OG SER A 67 -4.033 5.091 6.469 1.00 0.00 O ATOM 0 H SER A 67 -1.349 2.487 7.246 1.00 0.00 H new ATOM 0 HA SER A 67 -1.778 3.916 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.731 3.126 5.939 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.244 3.542 7.570 1.00 0.00 H new ATOM 0 HG SER A 67 -4.845 4.988 7.008 1.00 0.00 H new ATOM 979 N ILE A 68 -1.538 6.388 5.188 1.00 0.00 N ATOM 980 CA ILE A 68 -1.204 7.806 5.249 1.00 0.00 C ATOM 981 C ILE A 68 -2.454 8.658 5.441 1.00 0.00 C ATOM 982 O ILE A 68 -2.404 9.720 6.060 1.00 0.00 O ATOM 983 CB ILE A 68 -0.473 8.267 3.975 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.520 7.198 3.514 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.240 9.588 4.222 1.00 0.00 C ATOM 986 CD1 ILE A 68 1.043 7.422 2.113 1.00 0.00 C ATOM 0 H ILE A 68 -1.836 6.064 4.268 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.543 7.938 6.105 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.210 8.416 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.361 7.172 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.038 6.222 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.752 9.901 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.489 10.347 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.968 9.464 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.741 6.626 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.211 7.418 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.554 8.383 2.065 1.00 0.00 H new ATOM 998 N ALA A 69 -3.575 8.183 4.908 1.00 0.00 N ATOM 999 CA ALA A 69 -4.839 8.899 5.024 1.00 0.00 C ATOM 1000 C ALA A 69 -5.346 8.888 6.462 1.00 0.00 C ATOM 1001 O ALA A 69 -5.564 9.940 7.064 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.877 8.292 4.091 1.00 0.00 C ATOM 0 H ALA A 69 -3.633 7.305 4.392 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.669 9.936 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.816 8.837 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.524 8.358 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.035 7.246 4.354 1.00 0.00 H new ATOM 1008 N THR A 70 -5.534 7.690 7.009 1.00 0.00 N ATOM 1009 CA THR A 70 -6.018 7.542 8.376 1.00 0.00 C ATOM 1010 C THR A 70 -4.860 7.471 9.364 1.00 0.00 C ATOM 1011 O THR A 70 -4.891 8.103 10.419 1.00 0.00 O ATOM 1012 CB THR A 70 -6.888 6.280 8.530 1.00 0.00 C ATOM 1013 OG1 THR A 70 -6.135 5.118 8.167 1.00 0.00 O ATOM 1014 CG2 THR A 70 -8.135 6.374 7.663 1.00 0.00 C ATOM 0 H THR A 70 -5.358 6.809 6.526 1.00 0.00 H new ATOM 0 HA THR A 70 -6.624 8.421 8.594 1.00 0.00 H new ATOM 0 HB THR A 70 -7.194 6.202 9.573 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.733 4.344 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.734 5.472 7.788 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.721 7.243 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.844 6.474 6.617 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.837 6.696 9.015 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.682 6.558 9.883 1.00 0.00 C ATOM 1024 C GLY A 71 -2.582 5.176 10.498 1.00 0.00 C ATOM 1025 O GLY A 71 -1.872 4.976 11.484 1.00 0.00 O ATOM 0 H GLY A 71 -3.788 6.162 8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.776 6.765 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.737 7.303 10.677 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.296 4.218 9.917 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.286 2.847 10.413 1.00 0.00 C ATOM 1031 C LYS A 72 -1.945 2.176 10.132 1.00 0.00 C ATOM 1032 O LYS A 72 -1.130 2.693 9.368 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.416 2.041 9.769 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.788 2.350 10.344 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.803 1.285 9.967 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.189 1.625 10.493 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.991 0.402 10.774 1.00 0.00 N ATOM 0 H LYS A 72 -3.890 4.366 9.101 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.439 2.877 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.427 2.239 8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.210 0.978 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.721 2.422 11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.126 3.321 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.839 1.183 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.487 0.322 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.097 2.216 11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.713 2.243 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.519 0.529 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.659 0.238 9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.356 -0.417 10.863 1.00 0.00 H new ATOM 1051 N SER A 73 -1.724 1.022 10.753 1.00 0.00 N ATOM 1052 CA SER A 73 -0.480 0.282 10.571 1.00 0.00 C ATOM 1053 C SER A 73 -0.677 -1.197 10.888 1.00 0.00 C ATOM 1054 O SER A 73 -1.305 -1.552 11.885 1.00 0.00 O ATOM 1055 CB SER A 73 0.619 0.864 11.462 1.00 0.00 C ATOM 1056 OG SER A 73 0.161 1.036 12.792 1.00 0.00 O ATOM 0 H SER A 73 -2.390 0.579 11.386 1.00 0.00 H new ATOM 0 HA SER A 73 -0.179 0.375 9.527 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.485 0.202 11.455 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.947 1.823 11.060 1.00 0.00 H new ATOM 0 HG SER A 73 0.883 1.408 13.341 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.136 -2.057 10.031 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.262 -3.488 10.236 1.00 0.00 C ATOM 1064 C GLY A 74 0.322 -4.291 9.091 1.00 0.00 C ATOM 1065 O GLY A 74 1.447 -4.041 8.658 1.00 0.00 O ATOM 0 H GLY A 74 0.388 -1.788 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.240 -3.765 11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.315 -3.744 10.355 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.442 -5.261 8.600 1.00 0.00 N ATOM 1070 CA TYR A 75 0.008 -6.107 7.501 1.00 0.00 C ATOM 1071 C TYR A 75 -1.069 -6.226 6.428 1.00 0.00 C ATOM 1072 O TYR A 75 -2.211 -6.585 6.717 1.00 0.00 O ATOM 1073 CB TYR A 75 0.383 -7.496 8.020 1.00 0.00 C ATOM 1074 CG TYR A 75 1.433 -7.474 9.107 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.495 -6.579 9.056 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.365 -8.348 10.185 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.458 -6.555 10.047 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.322 -8.330 11.181 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.366 -7.432 11.107 1.00 0.00 C ATOM 1080 OH TYR A 75 4.322 -7.412 12.097 1.00 0.00 O ATOM 0 H TYR A 75 -1.376 -5.481 8.946 1.00 0.00 H new ATOM 0 HA TYR A 75 0.888 -5.643 7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.513 -7.986 8.402 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.746 -8.099 7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.569 -5.890 8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.550 -9.054 10.245 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.277 -5.854 9.992 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.253 -9.015 12.013 1.00 0.00 H new ATOM 0 HH TYR A 75 4.110 -8.091 12.771 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.698 -5.922 5.189 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.631 -5.996 4.072 1.00 0.00 C ATOM 1092 C ILE A 76 -1.120 -6.942 2.991 1.00 0.00 C ATOM 1093 O ILE A 76 0.071 -6.987 2.683 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.876 -4.608 3.450 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.547 -3.956 3.065 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.647 -3.723 4.418 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.709 -2.653 2.314 1.00 0.00 C ATOM 0 H ILE A 76 0.243 -5.622 4.933 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.571 -6.377 4.471 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.473 -4.731 2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.035 -3.775 3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.025 -4.651 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.812 -2.746 3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.608 -4.184 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.074 -3.604 5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.274 -2.247 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.264 -2.831 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.254 -1.941 2.934 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.041 -7.715 2.397 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.708 -8.673 1.339 1.00 0.00 C ATOM 1111 C PRO A 77 -1.307 -7.985 0.039 1.00 0.00 C ATOM 1112 O PRO A 77 -2.097 -7.249 -0.554 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.008 -9.459 1.149 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.081 -8.531 1.604 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.479 -7.714 2.714 1.00 0.00 C ATOM 0 HA PRO A 77 -0.854 -9.294 1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.148 -9.746 0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.004 -10.378 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.417 -7.892 0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.952 -9.084 1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.885 -6.703 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.676 -8.156 3.691 1.00 0.00 H new ATOM 1123 N SER A 78 -0.077 -8.228 -0.400 1.00 0.00 N ATOM 1124 CA SER A 78 0.430 -7.629 -1.628 1.00 0.00 C ATOM 1125 C SER A 78 -0.378 -8.098 -2.835 1.00 0.00 C ATOM 1126 O SER A 78 -0.230 -7.571 -3.937 1.00 0.00 O ATOM 1127 CB SER A 78 1.907 -7.979 -1.821 1.00 0.00 C ATOM 1128 OG SER A 78 2.075 -9.366 -2.056 1.00 0.00 O ATOM 0 H SER A 78 0.588 -8.837 0.077 1.00 0.00 H new ATOM 0 HA SER A 78 0.329 -6.547 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.312 -7.413 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.472 -7.686 -0.936 1.00 0.00 H new ATOM 0 HG SER A 78 2.372 -9.804 -1.231 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.232 -9.092 -2.617 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.064 -9.633 -3.685 1.00 0.00 C ATOM 1136 C ASN A 79 -3.310 -8.778 -3.892 1.00 0.00 C ATOM 1137 O ASN A 79 -4.104 -9.028 -4.799 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.468 -11.074 -3.365 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.276 -11.946 -3.020 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.426 -12.218 -3.867 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.208 -12.387 -1.769 1.00 0.00 N ATOM 0 H ASN A 79 -1.366 -9.539 -1.710 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.481 -9.622 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.169 -11.075 -2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.991 -11.500 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.428 -12.976 -1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.936 -12.136 -1.100 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.475 -7.769 -3.044 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.625 -6.877 -3.132 1.00 0.00 C ATOM 1150 C TYR A 80 -4.185 -5.447 -3.428 1.00 0.00 C ATOM 1151 O TYR A 80 -4.896 -4.690 -4.089 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.428 -6.916 -1.830 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.515 -7.966 -1.820 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.303 -9.220 -2.380 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.755 -7.704 -1.250 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.294 -10.182 -2.373 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.752 -8.661 -1.238 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.517 -9.898 -1.801 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.507 -10.854 -1.792 1.00 0.00 O ATOM 0 H TYR A 80 -2.827 -7.548 -2.288 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.256 -7.220 -3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.748 -7.102 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.878 -5.938 -1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.347 -9.446 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.943 -6.736 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.113 -11.151 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.710 -8.441 -0.790 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.305 -10.495 -1.351 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.005 -5.084 -2.934 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.467 -3.745 -3.147 1.00 0.00 C ATOM 1171 C VAL A 81 -1.385 -3.752 -4.221 1.00 0.00 C ATOM 1172 O VAL A 81 -0.637 -4.721 -4.358 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.881 -3.163 -1.847 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -2.968 -3.003 -0.796 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.754 -4.044 -1.330 1.00 0.00 C ATOM 0 H VAL A 81 -2.404 -5.698 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.296 -3.119 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.471 -2.177 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.535 -2.591 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.739 -2.328 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.411 -3.975 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.351 -3.618 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.137 -5.044 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.036 -4.102 -2.079 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.305 -2.665 -4.981 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.313 -2.544 -6.042 1.00 0.00 C ATOM 1187 C VAL A 82 0.303 -1.150 -6.062 1.00 0.00 C ATOM 1188 O VAL A 82 -0.310 -0.167 -5.646 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.929 -2.842 -7.422 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -1.948 -3.966 -7.321 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.562 -1.587 -8.004 1.00 0.00 C ATOM 0 H VAL A 82 -1.916 -1.854 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 82 0.465 -3.278 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.134 -3.165 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.372 -4.162 -8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.460 -4.867 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.743 -3.675 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.992 -1.815 -8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.346 -1.231 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.802 -0.814 -8.115 1.00 0.00 H new ATOM 1201 N PRO A 83 1.546 -1.060 -6.559 1.00 0.00 N ATOM 1202 CA PRO A 83 2.273 0.210 -6.647 1.00 0.00 C ATOM 1203 C PRO A 83 1.681 1.146 -7.695 1.00 0.00 C ATOM 1204 O PRO A 83 1.385 0.730 -8.815 1.00 0.00 O ATOM 1205 CB PRO A 83 3.686 -0.217 -7.049 1.00 0.00 C ATOM 1206 CG PRO A 83 3.504 -1.522 -7.746 1.00 0.00 C ATOM 1207 CD PRO A 83 2.337 -2.190 -7.073 1.00 0.00 C ATOM 0 HA PRO A 83 2.232 0.768 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.151 0.520 -7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.331 -0.321 -6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.310 -1.374 -8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.402 -2.135 -7.669 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.763 -2.797 -7.773 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.661 -2.852 -6.270 1.00 0.00 H new ATOM 1215 N ALA A 84 1.511 2.411 -7.325 1.00 0.00 N ATOM 1216 CA ALA A 84 0.956 3.405 -8.234 1.00 0.00 C ATOM 1217 C ALA A 84 1.869 3.619 -9.437 1.00 0.00 C ATOM 1218 O ALA A 84 1.524 4.345 -10.369 1.00 0.00 O ATOM 1219 CB ALA A 84 0.728 4.720 -7.503 1.00 0.00 C ATOM 0 H ALA A 84 1.750 2.771 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.002 3.033 -8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.313 5.453 -8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.031 4.563 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.676 5.087 -7.110 1.00 0.00 H new ATOM 1225 N ASP A 85 3.034 2.982 -9.410 1.00 0.00 N ATOM 1226 CA ASP A 85 3.997 3.102 -10.499 1.00 0.00 C ATOM 1227 C ASP A 85 3.859 1.939 -11.476 1.00 0.00 C ATOM 1228 O ASP A 85 3.920 2.126 -12.691 1.00 0.00 O ATOM 1229 CB ASP A 85 5.422 3.153 -9.945 1.00 0.00 C ATOM 1230 CG ASP A 85 6.462 2.807 -10.992 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.441 3.426 -12.076 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.298 1.917 -10.727 1.00 0.00 O ATOM 0 H ASP A 85 3.335 2.377 -8.646 1.00 0.00 H new ATOM 0 HA ASP A 85 3.790 4.029 -11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.622 4.151 -9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.509 2.460 -9.108 1.00 0.00 H new ATOM 1237 N SER A 86 3.675 0.738 -10.937 1.00 0.00 N ATOM 1238 CA SER A 86 3.534 -0.457 -11.761 1.00 0.00 C ATOM 1239 C SER A 86 2.097 -0.969 -11.734 1.00 0.00 C ATOM 1240 O SER A 86 1.844 -2.153 -11.956 1.00 0.00 O ATOM 1241 CB SER A 86 4.486 -1.552 -11.277 1.00 0.00 C ATOM 1242 OG SER A 86 5.730 -1.481 -11.953 1.00 0.00 O ATOM 0 H SER A 86 3.620 0.567 -9.933 1.00 0.00 H new ATOM 0 HA SER A 86 3.788 -0.192 -12.787 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.646 -1.451 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.034 -2.530 -11.442 1.00 0.00 H new ATOM 0 HG SER A 86 6.322 -2.190 -11.625 1.00 0.00 H new ATOM 1248 N ILE A 87 1.159 -0.067 -11.461 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.252 -0.426 -11.406 1.00 0.00 C ATOM 1250 C ILE A 87 -0.589 -1.491 -12.445 1.00 0.00 C ATOM 1251 O ILE A 87 -0.710 -1.196 -13.633 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.155 0.801 -11.634 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.494 2.059 -11.068 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.519 0.580 -10.997 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.472 3.174 -10.770 1.00 0.00 C ATOM 0 H ILE A 87 1.352 0.917 -11.275 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.438 -0.823 -10.408 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.295 0.938 -12.706 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.038 1.799 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.250 2.420 -11.778 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.146 1.455 -11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.991 -0.296 -11.442 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.399 0.422 -9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.933 4.034 -10.372 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.987 3.461 -11.687 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.202 2.832 -10.036 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.742 -2.729 -11.986 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.067 -3.838 -12.876 1.00 0.00 C ATOM 1269 C GLN A 88 -2.543 -3.813 -13.260 1.00 0.00 C ATOM 1270 O GLN A 88 -2.942 -4.397 -14.267 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.723 -5.171 -12.210 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.309 -5.324 -10.816 1.00 0.00 C ATOM 1273 CD GLN A 88 -1.151 -6.728 -10.267 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -2.134 -7.438 -10.054 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.091 -7.137 -10.035 1.00 0.00 N ATOM 0 H GLN A 88 -0.646 -2.989 -11.004 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.473 -3.729 -13.783 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.084 -5.985 -12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.361 -5.270 -12.152 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.823 -4.618 -10.142 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.367 -5.065 -10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.877 -6.515 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.259 -8.073 -9.666 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.348 -3.134 -12.450 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.780 -3.032 -12.707 1.00 0.00 C ATOM 1286 C ALA A 89 -5.204 -1.578 -12.880 1.00 0.00 C ATOM 1287 O ALA A 89 -6.351 -1.221 -12.614 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.566 -3.682 -11.577 1.00 0.00 C ATOM 0 H ALA A 89 -3.034 -2.647 -11.611 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.996 -3.559 -13.636 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.633 -3.599 -11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.292 -4.734 -11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.336 -3.179 -10.638 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.271 -0.743 -13.327 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.550 0.673 -13.534 1.00 0.00 C ATOM 1296 C GLU A 90 -5.981 0.881 -14.021 1.00 0.00 C ATOM 1297 O GLU A 90 -6.603 1.902 -13.732 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.565 1.268 -14.543 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.225 0.328 -15.688 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.820 0.539 -16.218 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.328 1.685 -16.156 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.212 -0.443 -16.694 1.00 0.00 O ATOM 0 H GLU A 90 -3.316 -1.023 -13.552 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.432 1.183 -12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.986 2.187 -14.951 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.647 1.542 -14.024 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.331 -0.703 -15.350 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.940 0.474 -16.497 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.495 -0.096 -14.762 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.852 -0.020 -15.290 1.00 0.00 C ATOM 1311 C GLU A 91 -8.791 0.642 -14.285 1.00 0.00 C ATOM 1312 O GLU A 91 -9.729 1.342 -14.665 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.366 -1.418 -15.641 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.577 -2.096 -16.749 1.00 0.00 C ATOM 1315 CD GLU A 91 -7.703 -3.606 -16.714 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -6.955 -4.245 -15.943 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.547 -4.150 -17.456 1.00 0.00 O ATOM 0 H GLU A 91 -5.993 -0.948 -15.010 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.829 0.588 -16.194 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.333 -2.043 -14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.411 -1.347 -15.942 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.924 -1.728 -17.715 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.526 -1.821 -16.662 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.531 0.413 -13.003 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.352 0.986 -11.943 1.00 0.00 C ATOM 1326 C TRP A 92 -9.297 2.510 -11.975 1.00 0.00 C ATOM 1327 O TRP A 92 -10.329 3.179 -11.912 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.889 0.475 -10.578 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.524 0.962 -10.193 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.363 0.243 -10.209 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.180 2.274 -9.734 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.318 1.029 -9.788 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.793 2.279 -9.491 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.909 3.444 -9.507 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.123 3.410 -9.031 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.242 4.566 -9.050 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.860 4.542 -8.817 1.00 0.00 C ATOM 0 H TRP A 92 -7.758 -0.165 -12.672 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.383 0.675 -12.108 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.606 0.787 -9.819 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.889 -0.615 -10.587 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.279 -0.791 -10.509 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.346 0.730 -9.709 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.974 3.472 -9.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.058 3.394 -8.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.795 5.476 -8.870 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.368 5.435 -8.461 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.089 3.052 -12.072 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.900 4.497 -12.110 1.00 0.00 C ATOM 1350 C TYR A 93 -8.211 5.051 -13.497 1.00 0.00 C ATOM 1351 O TYR A 93 -8.666 6.187 -13.637 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.466 4.856 -11.715 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.533 5.004 -12.895 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.723 6.009 -13.835 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.459 4.139 -13.070 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.873 6.148 -14.915 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.603 4.271 -14.146 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.814 5.277 -15.066 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.965 5.412 -16.140 1.00 0.00 O ATOM 0 H TYR A 93 -7.225 2.512 -12.126 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.590 4.947 -11.396 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.476 5.789 -11.151 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.077 4.085 -11.049 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.550 6.694 -13.719 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.291 3.350 -12.352 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.037 6.934 -15.637 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.773 3.590 -14.266 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.428 5.138 -16.959 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.965 4.240 -14.520 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.218 4.647 -15.897 1.00 0.00 C ATOM 1371 C PHE A 94 -9.699 4.943 -16.113 1.00 0.00 C ATOM 1372 O PHE A 94 -10.060 5.941 -16.736 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.757 3.557 -16.867 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.339 3.727 -17.331 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -6.002 4.742 -18.211 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.344 2.872 -16.886 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.697 4.901 -18.640 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.038 3.027 -17.311 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.714 4.042 -18.190 1.00 0.00 C ATOM 0 H PHE A 94 -7.590 3.296 -14.421 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.651 5.558 -16.090 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.858 2.585 -16.384 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.416 3.552 -17.735 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.767 5.417 -18.566 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.591 2.076 -16.200 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.447 5.696 -19.326 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.271 2.355 -16.956 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.694 4.163 -18.525 1.00 0.00 H new