USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 80 THR OG1 : rot 150:sc= -6.84! USER MOD Set 1.2: A 87 ASN : amide:sc= -3.48 K(o=-10,f=-23!) USER MOD Single : A 25 THR OG1 : rot -25:sc= -1.86 USER MOD Single : A 26 SER OG : rot 180:sc= -0.111 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 63:sc= -0.184 USER MOD Single : A 31 SER OG : rot 175:sc= -1.33 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 30:sc= 0.00815 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0655 K(o=-0.065,f=-1.2) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0631 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 63:sc= -0.6 USER MOD Single : A 102 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 356 N THR A 25 68.594 -38.401 5.181 1.00 63.33 N ATOM 357 CA THR A 25 69.653 -37.475 4.797 1.00 41.43 C ATOM 358 C THR A 25 70.517 -37.101 5.995 1.00 31.03 C ATOM 359 O THR A 25 70.087 -36.352 6.873 1.00 74.32 O ATOM 360 CB THR A 25 69.077 -36.190 4.173 1.00 13.44 C ATOM 361 OG1 THR A 25 68.161 -35.570 5.085 1.00 53.15 O ATOM 362 CG2 THR A 25 68.366 -36.496 2.863 1.00 4.15 C ATOM 0 HA THR A 25 70.266 -37.987 4.055 1.00 41.43 H new ATOM 0 HB THR A 25 69.904 -35.509 3.969 1.00 13.44 H new ATOM 0 HG1 THR A 25 67.793 -36.247 5.690 1.00 53.15 H new ATOM 0 HG21 THR A 25 67.968 -35.573 2.441 1.00 4.15 H new ATOM 0 HG22 THR A 25 69.072 -36.941 2.161 1.00 4.15 H new ATOM 0 HG23 THR A 25 67.549 -37.193 3.047 1.00 4.15 H new ATOM 370 N SER A 26 71.738 -37.625 6.025 1.00 52.23 N ATOM 371 CA SER A 26 72.662 -37.349 7.118 1.00 62.44 C ATOM 372 C SER A 26 73.285 -35.964 6.966 1.00 54.41 C ATOM 373 O SER A 26 73.925 -35.666 5.957 1.00 14.44 O ATOM 374 CB SER A 26 73.762 -38.412 7.167 1.00 13.20 C ATOM 375 OG SER A 26 75.017 -37.865 6.803 1.00 61.42 O ATOM 0 H SER A 26 72.110 -38.243 5.304 1.00 52.23 H new ATOM 0 HA SER A 26 72.099 -37.376 8.051 1.00 62.44 H new ATOM 0 HB2 SER A 26 73.822 -38.831 8.171 1.00 13.20 H new ATOM 0 HB3 SER A 26 73.510 -39.232 6.494 1.00 13.20 H new ATOM 0 HG SER A 26 75.703 -38.564 6.844 1.00 61.42 H new ATOM 381 N ALA A 27 73.093 -35.122 7.976 1.00 41.43 N ATOM 382 CA ALA A 27 73.637 -33.770 7.957 1.00 43.43 C ATOM 383 C ALA A 27 73.907 -33.266 9.371 1.00 43.22 C ATOM 384 O ALA A 27 73.375 -33.801 10.344 1.00 5.03 O ATOM 385 CB ALA A 27 72.685 -32.829 7.232 1.00 63.51 C ATOM 0 H ALA A 27 72.565 -35.352 8.818 1.00 41.43 H new ATOM 0 HA ALA A 27 74.586 -33.794 7.421 1.00 43.43 H new ATOM 0 HB1 ALA A 27 73.103 -31.823 7.225 1.00 63.51 H new ATOM 0 HB2 ALA A 27 72.546 -33.171 6.207 1.00 63.51 H new ATOM 0 HB3 ALA A 27 71.723 -32.819 7.745 1.00 63.51 H new ATOM 391 N THR A 28 74.738 -32.233 9.477 1.00 75.24 N ATOM 392 CA THR A 28 75.081 -31.659 10.772 1.00 12.44 C ATOM 393 C THR A 28 74.926 -30.143 10.759 1.00 14.21 C ATOM 394 O THR A 28 75.874 -29.415 10.463 1.00 13.54 O ATOM 395 CB THR A 28 76.523 -32.013 11.179 1.00 33.25 C ATOM 396 OG1 THR A 28 76.601 -33.391 11.563 1.00 10.21 O ATOM 397 CG2 THR A 28 76.992 -31.135 12.330 1.00 13.33 C ATOM 0 H THR A 28 75.185 -31.777 8.682 1.00 75.24 H new ATOM 0 HA THR A 28 74.391 -32.086 11.500 1.00 12.44 H new ATOM 0 HB THR A 28 77.171 -31.838 10.320 1.00 33.25 H new ATOM 0 HG1 THR A 28 77.522 -33.608 11.819 1.00 10.21 H new ATOM 0 HG21 THR A 28 78.013 -31.404 12.600 1.00 13.33 H new ATOM 0 HG22 THR A 28 76.960 -30.089 12.026 1.00 13.33 H new ATOM 0 HG23 THR A 28 76.339 -31.283 13.190 1.00 13.33 H new ATOM 405 N ILE A 29 73.725 -29.673 11.082 1.00 20.31 N ATOM 406 CA ILE A 29 73.448 -28.242 11.109 1.00 72.43 C ATOM 407 C ILE A 29 74.583 -27.475 11.778 1.00 22.52 C ATOM 408 O ILE A 29 75.005 -27.808 12.887 1.00 61.14 O ATOM 409 CB ILE A 29 72.131 -27.938 11.849 1.00 65.42 C ATOM 410 CG1 ILE A 29 71.913 -28.944 12.980 1.00 13.05 C ATOM 411 CG2 ILE A 29 70.961 -27.961 10.878 1.00 11.23 C ATOM 412 CD1 ILE A 29 70.703 -28.638 13.836 1.00 64.12 C ATOM 0 H ILE A 29 72.929 -30.262 11.328 1.00 20.31 H new ATOM 0 HA ILE A 29 73.356 -27.918 10.072 1.00 72.43 H new ATOM 0 HB ILE A 29 72.197 -26.941 12.284 1.00 65.42 H new ATOM 0 HG12 ILE A 29 71.803 -29.941 12.553 1.00 13.05 H new ATOM 0 HG13 ILE A 29 72.800 -28.965 13.613 1.00 13.05 H new ATOM 0 HG21 ILE A 29 70.038 -27.745 11.416 1.00 11.23 H new ATOM 0 HG22 ILE A 29 71.115 -27.209 10.104 1.00 11.23 H new ATOM 0 HG23 ILE A 29 70.890 -28.946 10.417 1.00 11.23 H new ATOM 0 HD11 ILE A 29 70.610 -29.392 14.618 1.00 64.12 H new ATOM 0 HD12 ILE A 29 70.819 -27.655 14.292 1.00 64.12 H new ATOM 0 HD13 ILE A 29 69.807 -28.646 13.216 1.00 64.12 H new ATOM 424 N THR A 30 75.073 -26.443 11.100 1.00 25.02 N ATOM 425 CA THR A 30 76.159 -25.626 11.628 1.00 42.23 C ATOM 426 C THR A 30 76.116 -24.215 11.052 1.00 20.01 C ATOM 427 O THR A 30 76.578 -23.975 9.937 1.00 43.44 O ATOM 428 CB THR A 30 77.532 -26.252 11.321 1.00 70.31 C ATOM 429 OG1 THR A 30 77.504 -27.656 11.600 1.00 31.44 O ATOM 430 CG2 THR A 30 78.626 -25.587 12.145 1.00 14.30 C ATOM 0 H THR A 30 74.735 -26.152 10.183 1.00 25.02 H new ATOM 0 HA THR A 30 76.023 -25.578 12.708 1.00 42.23 H new ATOM 0 HB THR A 30 77.750 -26.097 10.264 1.00 70.31 H new ATOM 0 HG1 THR A 30 76.859 -28.095 11.007 1.00 31.44 H new ATOM 0 HG21 THR A 30 79.587 -26.045 11.911 1.00 14.30 H new ATOM 0 HG22 THR A 30 78.664 -24.524 11.908 1.00 14.30 H new ATOM 0 HG23 THR A 30 78.411 -25.715 13.206 1.00 14.30 H new ATOM 438 N SER A 31 75.560 -23.284 11.820 1.00 2.11 N ATOM 439 CA SER A 31 75.454 -21.897 11.384 1.00 25.32 C ATOM 440 C SER A 31 75.725 -20.941 12.543 1.00 61.35 C ATOM 441 O SER A 31 74.811 -20.307 13.066 1.00 1.54 O ATOM 442 CB SER A 31 74.066 -21.627 10.800 1.00 62.43 C ATOM 443 OG SER A 31 74.010 -20.351 10.186 1.00 20.34 O ATOM 0 H SER A 31 75.176 -23.465 12.747 1.00 2.11 H new ATOM 0 HA SER A 31 76.204 -21.727 10.612 1.00 25.32 H new ATOM 0 HB2 SER A 31 73.820 -22.397 10.069 1.00 62.43 H new ATOM 0 HB3 SER A 31 73.318 -21.687 11.590 1.00 62.43 H new ATOM 0 HG SER A 31 73.140 -20.235 9.750 1.00 20.34 H new ATOM 449 N GLY A 32 76.991 -20.845 12.939 1.00 21.40 N ATOM 450 CA GLY A 32 77.361 -19.966 14.033 1.00 25.34 C ATOM 451 C GLY A 32 78.852 -19.974 14.305 1.00 70.14 C ATOM 452 O GLY A 32 79.575 -20.838 13.810 1.00 54.50 O ATOM 0 H GLY A 32 77.766 -21.360 12.522 1.00 21.40 H new ATOM 0 HA2 GLY A 32 77.043 -18.950 13.802 1.00 25.34 H new ATOM 0 HA3 GLY A 32 76.829 -20.269 14.935 1.00 25.34 H new ATOM 456 N GLU A 33 79.314 -19.007 15.091 1.00 31.53 N ATOM 457 CA GLU A 33 80.730 -18.906 15.425 1.00 74.11 C ATOM 458 C GLU A 33 81.276 -20.253 15.893 1.00 2.32 C ATOM 459 O GLU A 33 82.477 -20.508 15.810 1.00 74.00 O ATOM 460 CB GLU A 33 80.947 -17.850 16.512 1.00 40.43 C ATOM 461 CG GLU A 33 80.249 -18.172 17.822 1.00 52.44 C ATOM 462 CD GLU A 33 80.614 -17.205 18.931 1.00 53.30 C ATOM 463 OE1 GLU A 33 81.632 -17.442 19.613 1.00 62.25 O ATOM 464 OE2 GLU A 33 79.880 -16.212 19.116 1.00 63.31 O ATOM 0 H GLU A 33 78.729 -18.283 15.508 1.00 31.53 H new ATOM 0 HA GLU A 33 81.269 -18.607 14.526 1.00 74.11 H new ATOM 0 HB2 GLU A 33 82.016 -17.745 16.696 1.00 40.43 H new ATOM 0 HB3 GLU A 33 80.590 -16.887 16.147 1.00 40.43 H new ATOM 0 HG2 GLU A 33 79.170 -18.152 17.669 1.00 52.44 H new ATOM 0 HG3 GLU A 33 80.509 -19.185 18.128 1.00 52.44 H new ATOM 471 N GLN A 34 80.385 -21.107 16.385 1.00 62.41 N ATOM 472 CA GLN A 34 80.777 -22.426 16.867 1.00 50.02 C ATOM 473 C GLN A 34 79.554 -23.255 17.241 1.00 14.25 C ATOM 474 O GLN A 34 79.057 -23.174 18.365 1.00 11.43 O ATOM 475 CB GLN A 34 81.708 -22.295 18.073 1.00 34.33 C ATOM 476 CG GLN A 34 82.675 -23.458 18.226 1.00 12.51 C ATOM 477 CD GLN A 34 83.989 -23.046 18.861 1.00 53.43 C ATOM 478 OE1 GLN A 34 84.186 -23.204 20.066 1.00 40.15 O ATOM 479 NE2 GLN A 34 84.896 -22.514 18.049 1.00 31.33 N ATOM 0 H GLN A 34 79.387 -20.909 16.460 1.00 62.41 H new ATOM 0 HA GLN A 34 81.306 -22.937 16.062 1.00 50.02 H new ATOM 0 HB2 GLN A 34 82.277 -21.370 17.983 1.00 34.33 H new ATOM 0 HB3 GLN A 34 81.106 -22.212 18.978 1.00 34.33 H new ATOM 0 HG2 GLN A 34 82.210 -24.234 18.834 1.00 12.51 H new ATOM 0 HG3 GLN A 34 82.870 -23.894 17.246 1.00 12.51 H new ATOM 0 HE21 GLN A 34 84.689 -22.402 17.057 1.00 31.33 H new ATOM 0 HE22 GLN A 34 85.799 -22.217 18.418 1.00 31.33 H new ATOM 488 N SER A 35 79.072 -24.052 16.293 1.00 73.51 N ATOM 489 CA SER A 35 77.903 -24.893 16.523 1.00 54.44 C ATOM 490 C SER A 35 78.034 -26.220 15.780 1.00 44.50 C ATOM 491 O SER A 35 78.880 -26.369 14.899 1.00 55.02 O ATOM 492 CB SER A 35 76.632 -24.170 16.076 1.00 5.32 C ATOM 493 OG SER A 35 76.082 -23.404 17.135 1.00 44.54 O ATOM 0 H SER A 35 79.473 -24.133 15.359 1.00 73.51 H new ATOM 0 HA SER A 35 77.839 -25.099 17.592 1.00 54.44 H new ATOM 0 HB2 SER A 35 76.858 -23.519 15.231 1.00 5.32 H new ATOM 0 HB3 SER A 35 75.898 -24.898 15.730 1.00 5.32 H new ATOM 0 HG SER A 35 76.801 -23.105 17.730 1.00 44.54 H new ATOM 499 N GLY A 36 77.189 -27.180 16.142 1.00 4.21 N ATOM 500 CA GLY A 36 77.225 -28.481 15.500 1.00 71.33 C ATOM 501 C GLY A 36 76.181 -29.430 16.053 1.00 74.31 C ATOM 502 O GLY A 36 76.465 -30.222 16.951 1.00 60.30 O ATOM 0 H GLY A 36 76.480 -27.080 16.868 1.00 4.21 H new ATOM 0 HA2 GLY A 36 77.068 -28.358 14.428 1.00 71.33 H new ATOM 0 HA3 GLY A 36 78.215 -28.919 15.629 1.00 71.33 H new ATOM 506 N ALA A 37 74.968 -29.349 15.518 1.00 15.22 N ATOM 507 CA ALA A 37 73.877 -30.207 15.963 1.00 54.05 C ATOM 508 C ALA A 37 73.562 -31.278 14.924 1.00 0.42 C ATOM 509 O ALA A 37 74.266 -31.414 13.923 1.00 25.34 O ATOM 510 CB ALA A 37 72.638 -29.376 16.260 1.00 41.51 C ATOM 0 H ALA A 37 74.716 -28.697 14.775 1.00 15.22 H new ATOM 0 HA ALA A 37 74.192 -30.708 16.878 1.00 54.05 H new ATOM 0 HB1 ALA A 37 71.832 -30.030 16.591 1.00 41.51 H new ATOM 0 HB2 ALA A 37 72.864 -28.653 17.044 1.00 41.51 H new ATOM 0 HB3 ALA A 37 72.329 -28.848 15.358 1.00 41.51 H new ATOM 516 N VAL A 38 72.499 -32.038 15.169 1.00 74.04 N ATOM 517 CA VAL A 38 72.090 -33.098 14.254 1.00 53.43 C ATOM 518 C VAL A 38 70.948 -32.638 13.356 1.00 5.12 C ATOM 519 O VAL A 38 69.907 -32.190 13.839 1.00 51.25 O ATOM 520 CB VAL A 38 71.651 -34.361 15.018 1.00 1.33 C ATOM 521 CG1 VAL A 38 71.242 -35.457 14.046 1.00 34.22 C ATOM 522 CG2 VAL A 38 72.764 -34.840 15.938 1.00 33.00 C ATOM 0 H VAL A 38 71.906 -31.940 15.993 1.00 74.04 H new ATOM 0 HA VAL A 38 72.958 -33.338 13.639 1.00 53.43 H new ATOM 0 HB VAL A 38 70.786 -34.112 15.632 1.00 1.33 H new ATOM 0 HG11 VAL A 38 70.935 -36.342 14.604 1.00 34.22 H new ATOM 0 HG12 VAL A 38 70.411 -35.108 13.433 1.00 34.22 H new ATOM 0 HG13 VAL A 38 72.086 -35.708 13.404 1.00 34.22 H new ATOM 0 HG21 VAL A 38 72.437 -35.733 16.470 1.00 33.00 H new ATOM 0 HG22 VAL A 38 73.649 -35.074 15.347 1.00 33.00 H new ATOM 0 HG23 VAL A 38 73.004 -34.057 16.657 1.00 33.00 H new ATOM 532 N ILE A 39 71.148 -32.751 12.048 1.00 44.22 N ATOM 533 CA ILE A 39 70.134 -32.347 11.082 1.00 21.21 C ATOM 534 C ILE A 39 70.009 -33.369 9.957 1.00 63.14 C ATOM 535 O ILE A 39 70.982 -34.031 9.595 1.00 23.22 O ATOM 536 CB ILE A 39 70.451 -30.968 10.474 1.00 24.11 C ATOM 537 CG1 ILE A 39 69.278 -30.479 9.622 1.00 14.11 C ATOM 538 CG2 ILE A 39 71.724 -31.035 9.644 1.00 73.24 C ATOM 539 CD1 ILE A 39 69.491 -30.665 8.137 1.00 72.03 C ATOM 0 H ILE A 39 72.004 -33.119 11.632 1.00 44.22 H new ATOM 0 HA ILE A 39 69.190 -32.287 11.623 1.00 21.21 H new ATOM 0 HB ILE A 39 70.607 -30.257 11.286 1.00 24.11 H new ATOM 0 HG12 ILE A 39 68.375 -31.012 9.921 1.00 14.11 H new ATOM 0 HG13 ILE A 39 69.107 -29.422 9.827 1.00 14.11 H new ATOM 0 HG21 ILE A 39 71.935 -30.053 9.221 1.00 73.24 H new ATOM 0 HG22 ILE A 39 72.556 -31.343 10.278 1.00 73.24 H new ATOM 0 HG23 ILE A 39 71.595 -31.757 8.838 1.00 73.24 H new ATOM 0 HD11 ILE A 39 68.620 -30.296 7.595 1.00 72.03 H new ATOM 0 HD12 ILE A 39 70.375 -30.109 7.824 1.00 72.03 H new ATOM 0 HD13 ILE A 39 69.632 -31.724 7.919 1.00 72.03 H new ATOM 551 N ARG A 40 68.805 -33.491 9.406 1.00 25.11 N ATOM 552 CA ARG A 40 68.553 -34.431 8.321 1.00 10.01 C ATOM 553 C ARG A 40 68.358 -33.696 6.998 1.00 13.13 C ATOM 554 O ARG A 40 67.229 -33.458 6.570 1.00 10.13 O ATOM 555 CB ARG A 40 67.320 -35.282 8.632 1.00 0.32 C ATOM 556 CG ARG A 40 67.649 -36.624 9.263 1.00 34.31 C ATOM 557 CD ARG A 40 68.373 -36.452 10.590 1.00 12.33 C ATOM 558 NE ARG A 40 67.501 -35.898 11.621 1.00 22.43 N ATOM 559 CZ ARG A 40 66.604 -36.615 12.290 1.00 24.21 C ATOM 560 NH1 ARG A 40 66.462 -37.907 12.036 1.00 74.33 N ATOM 561 NH2 ARG A 40 65.848 -36.037 13.214 1.00 22.25 N ATOM 0 H ARG A 40 67.989 -32.950 9.694 1.00 25.11 H new ATOM 0 HA ARG A 40 69.422 -35.083 8.229 1.00 10.01 H new ATOM 0 HB2 ARG A 40 66.665 -34.726 9.303 1.00 0.32 H new ATOM 0 HB3 ARG A 40 66.763 -35.450 7.710 1.00 0.32 H new ATOM 0 HG2 ARG A 40 66.730 -37.189 9.419 1.00 34.31 H new ATOM 0 HG3 ARG A 40 68.269 -37.206 8.581 1.00 34.31 H new ATOM 0 HD2 ARG A 40 68.758 -37.417 10.921 1.00 12.33 H new ATOM 0 HD3 ARG A 40 69.233 -35.796 10.452 1.00 12.33 H new ATOM 0 HE ARG A 40 67.585 -34.905 11.840 1.00 22.43 H new ATOM 0 HH11 ARG A 40 67.042 -38.354 11.326 1.00 74.33 H new ATOM 0 HH12 ARG A 40 65.773 -38.455 12.551 1.00 74.33 H new ATOM 0 HH21 ARG A 40 65.955 -35.042 13.411 1.00 22.25 H new ATOM 0 HH22 ARG A 40 65.160 -36.588 13.727 1.00 22.25 H new ATOM 575 N GLY A 41 69.466 -33.338 6.357 1.00 2.34 N ATOM 576 CA GLY A 41 69.394 -32.633 5.091 1.00 41.45 C ATOM 577 C GLY A 41 70.462 -33.084 4.115 1.00 43.24 C ATOM 578 O GLY A 41 71.592 -33.372 4.509 1.00 4.40 O ATOM 0 H GLY A 41 70.412 -33.523 6.692 1.00 2.34 H new ATOM 0 HA2 GLY A 41 68.411 -32.789 4.647 1.00 41.45 H new ATOM 0 HA3 GLY A 41 69.497 -31.562 5.268 1.00 41.45 H new ATOM 582 N VAL A 42 70.103 -33.149 2.836 1.00 65.41 N ATOM 583 CA VAL A 42 71.039 -33.570 1.800 1.00 62.52 C ATOM 584 C VAL A 42 71.078 -32.566 0.653 1.00 74.43 C ATOM 585 O VAL A 42 70.049 -32.015 0.262 1.00 44.22 O ATOM 586 CB VAL A 42 70.672 -34.957 1.241 1.00 62.42 C ATOM 587 CG1 VAL A 42 69.405 -34.877 0.404 1.00 21.10 C ATOM 588 CG2 VAL A 42 71.824 -35.525 0.426 1.00 71.12 C ATOM 0 H VAL A 42 69.171 -32.916 2.493 1.00 65.41 H new ATOM 0 HA VAL A 42 72.023 -33.623 2.266 1.00 62.52 H new ATOM 0 HB VAL A 42 70.484 -35.629 2.079 1.00 62.42 H new ATOM 0 HG11 VAL A 42 69.161 -35.867 0.017 1.00 21.10 H new ATOM 0 HG12 VAL A 42 68.583 -34.516 1.022 1.00 21.10 H new ATOM 0 HG13 VAL A 42 69.561 -34.191 -0.428 1.00 21.10 H new ATOM 0 HG21 VAL A 42 71.547 -36.506 0.039 1.00 71.12 H new ATOM 0 HG22 VAL A 42 72.046 -34.856 -0.405 1.00 71.12 H new ATOM 0 HG23 VAL A 42 72.706 -35.621 1.060 1.00 71.12 H new ATOM 598 N PHE A 43 72.271 -32.333 0.117 1.00 73.24 N ATOM 599 CA PHE A 43 72.445 -31.396 -0.986 1.00 5.44 C ATOM 600 C PHE A 43 72.305 -32.104 -2.330 1.00 64.10 C ATOM 601 O PHE A 43 72.848 -33.192 -2.530 1.00 21.45 O ATOM 602 CB PHE A 43 73.812 -30.715 -0.894 1.00 44.54 C ATOM 603 CG PHE A 43 74.911 -31.482 -1.573 1.00 54.23 C ATOM 604 CD1 PHE A 43 75.294 -32.729 -1.104 1.00 71.42 C ATOM 605 CD2 PHE A 43 75.558 -30.959 -2.680 1.00 25.51 C ATOM 606 CE1 PHE A 43 76.305 -33.437 -1.726 1.00 72.40 C ATOM 607 CE2 PHE A 43 76.570 -31.663 -3.306 1.00 42.30 C ATOM 608 CZ PHE A 43 76.943 -32.904 -2.829 1.00 3.32 C ATOM 0 H PHE A 43 73.133 -32.781 0.429 1.00 73.24 H new ATOM 0 HA PHE A 43 71.664 -30.639 -0.913 1.00 5.44 H new ATOM 0 HB2 PHE A 43 73.745 -29.722 -1.338 1.00 44.54 H new ATOM 0 HB3 PHE A 43 74.071 -30.578 0.156 1.00 44.54 H new ATOM 0 HD1 PHE A 43 74.797 -33.152 -0.243 1.00 71.42 H new ATOM 0 HD2 PHE A 43 75.269 -29.990 -3.059 1.00 25.51 H new ATOM 0 HE1 PHE A 43 76.596 -34.407 -1.350 1.00 72.40 H new ATOM 0 HE2 PHE A 43 77.068 -31.243 -4.167 1.00 42.30 H new ATOM 0 HZ PHE A 43 77.732 -33.457 -3.317 1.00 3.32 H new ATOM 618 N ASP A 44 71.576 -31.481 -3.248 1.00 10.22 N ATOM 619 CA ASP A 44 71.364 -32.050 -4.574 1.00 71.14 C ATOM 620 C ASP A 44 71.760 -31.056 -5.661 1.00 62.22 C ATOM 621 O ASP A 44 71.276 -29.925 -5.688 1.00 13.41 O ATOM 622 CB ASP A 44 69.902 -32.461 -4.749 1.00 12.00 C ATOM 623 CG ASP A 44 69.557 -32.777 -6.191 1.00 64.14 C ATOM 624 OD1 ASP A 44 70.036 -33.811 -6.703 1.00 22.34 O ATOM 625 OD2 ASP A 44 68.811 -31.989 -6.809 1.00 11.21 O ATOM 0 H ASP A 44 71.121 -30.580 -3.099 1.00 10.22 H new ATOM 0 HA ASP A 44 71.995 -32.934 -4.668 1.00 71.14 H new ATOM 0 HB2 ASP A 44 69.697 -33.334 -4.130 1.00 12.00 H new ATOM 0 HB3 ASP A 44 69.257 -31.658 -4.392 1.00 12.00 H new ATOM 630 N ASP A 45 72.644 -31.486 -6.555 1.00 10.33 N ATOM 631 CA ASP A 45 73.105 -30.634 -7.646 1.00 13.55 C ATOM 632 C ASP A 45 72.396 -30.989 -8.949 1.00 13.34 C ATOM 633 O ASP A 45 71.952 -32.118 -9.155 1.00 60.15 O ATOM 634 CB ASP A 45 74.618 -30.767 -7.821 1.00 75.32 C ATOM 635 CG ASP A 45 75.392 -30.057 -6.727 1.00 53.45 C ATOM 636 OD1 ASP A 45 75.221 -30.422 -5.545 1.00 51.14 O ATOM 637 OD2 ASP A 45 76.170 -29.137 -7.054 1.00 53.10 O ATOM 0 H ASP A 45 73.056 -32.419 -6.546 1.00 10.33 H new ATOM 0 HA ASP A 45 72.866 -29.601 -7.393 1.00 13.55 H new ATOM 0 HB2 ASP A 45 74.889 -31.823 -7.827 1.00 75.32 H new ATOM 0 HB3 ASP A 45 74.906 -30.359 -8.790 1.00 75.32 H new ATOM 877 N PRO A 63 73.167 -26.163 -4.670 1.00 15.41 N ATOM 878 CA PRO A 63 72.478 -27.442 -4.470 1.00 42.04 C ATOM 879 C PRO A 63 71.164 -27.280 -3.714 1.00 53.12 C ATOM 880 O PRO A 63 70.901 -26.233 -3.124 1.00 71.05 O ATOM 881 CB PRO A 63 73.476 -28.257 -3.642 1.00 2.43 C ATOM 882 CG PRO A 63 74.300 -27.238 -2.933 1.00 11.35 C ATOM 883 CD PRO A 63 74.395 -26.061 -3.865 1.00 20.54 C ATOM 0 HA PRO A 63 72.205 -27.911 -5.416 1.00 42.04 H new ATOM 0 HB2 PRO A 63 72.964 -28.912 -2.937 1.00 2.43 H new ATOM 0 HB3 PRO A 63 74.093 -28.892 -4.278 1.00 2.43 H new ATOM 0 HG2 PRO A 63 73.838 -26.951 -1.988 1.00 11.35 H new ATOM 0 HG3 PRO A 63 75.289 -27.631 -2.698 1.00 11.35 H new ATOM 0 HD2 PRO A 63 74.440 -25.119 -3.319 1.00 20.54 H new ATOM 0 HD3 PRO A 63 75.289 -26.112 -4.487 1.00 20.54 H new ATOM 891 N SER A 64 70.342 -28.325 -3.735 1.00 62.01 N ATOM 892 CA SER A 64 69.053 -28.297 -3.054 1.00 13.21 C ATOM 893 C SER A 64 69.085 -29.159 -1.796 1.00 75.22 C ATOM 894 O SER A 64 69.712 -30.220 -1.771 1.00 40.22 O ATOM 895 CB SER A 64 67.947 -28.785 -3.991 1.00 5.41 C ATOM 896 OG SER A 64 66.817 -29.228 -3.260 1.00 25.14 O ATOM 0 H SER A 64 70.546 -29.201 -4.216 1.00 62.01 H new ATOM 0 HA SER A 64 68.846 -27.267 -2.763 1.00 13.21 H new ATOM 0 HB2 SER A 64 67.655 -27.979 -4.665 1.00 5.41 H new ATOM 0 HB3 SER A 64 68.324 -29.598 -4.611 1.00 5.41 H new ATOM 0 HG SER A 64 66.124 -29.533 -3.882 1.00 25.14 H new ATOM 902 N LEU A 65 68.406 -28.697 -0.752 1.00 3.33 N ATOM 903 CA LEU A 65 68.356 -29.425 0.511 1.00 51.41 C ATOM 904 C LEU A 65 66.937 -29.899 0.811 1.00 2.42 C ATOM 905 O LEU A 65 66.015 -29.092 0.934 1.00 44.20 O ATOM 906 CB LEU A 65 68.861 -28.540 1.652 1.00 33.30 C ATOM 907 CG LEU A 65 68.103 -28.653 2.975 1.00 33.34 C ATOM 908 CD1 LEU A 65 69.064 -28.562 4.150 1.00 25.32 C ATOM 909 CD2 LEU A 65 67.035 -27.573 3.072 1.00 60.25 C ATOM 0 H LEU A 65 67.882 -27.822 -0.755 1.00 3.33 H new ATOM 0 HA LEU A 65 69.001 -30.299 0.424 1.00 51.41 H new ATOM 0 HB2 LEU A 65 69.908 -28.780 1.835 1.00 33.30 H new ATOM 0 HB3 LEU A 65 68.825 -27.501 1.323 1.00 33.30 H new ATOM 0 HG LEU A 65 67.612 -29.625 3.008 1.00 33.34 H new ATOM 0 HD11 LEU A 65 68.507 -28.644 5.083 1.00 25.32 H new ATOM 0 HD12 LEU A 65 69.791 -29.372 4.089 1.00 25.32 H new ATOM 0 HD13 LEU A 65 69.584 -27.605 4.121 1.00 25.32 H new ATOM 0 HD21 LEU A 65 66.506 -27.669 4.020 1.00 60.25 H new ATOM 0 HD22 LEU A 65 67.505 -26.591 3.016 1.00 60.25 H new ATOM 0 HD23 LEU A 65 66.329 -27.685 2.249 1.00 60.25 H new ATOM 921 N PHE A 66 66.769 -31.211 0.928 1.00 14.12 N ATOM 922 CA PHE A 66 65.463 -31.793 1.214 1.00 24.42 C ATOM 923 C PHE A 66 65.354 -32.187 2.685 1.00 53.04 C ATOM 924 O PHE A 66 65.997 -33.136 3.134 1.00 53.20 O ATOM 925 CB PHE A 66 65.219 -33.015 0.327 1.00 41.00 C ATOM 926 CG PHE A 66 63.983 -33.786 0.693 1.00 32.41 C ATOM 927 CD1 PHE A 66 62.757 -33.459 0.138 1.00 22.20 C ATOM 928 CD2 PHE A 66 64.048 -34.837 1.594 1.00 54.24 C ATOM 929 CE1 PHE A 66 61.618 -34.165 0.474 1.00 15.02 C ATOM 930 CE2 PHE A 66 62.913 -35.548 1.933 1.00 15.32 C ATOM 931 CZ PHE A 66 61.696 -35.213 1.372 1.00 31.12 C ATOM 0 H PHE A 66 67.521 -31.892 0.829 1.00 14.12 H new ATOM 0 HA PHE A 66 64.703 -31.041 1.000 1.00 24.42 H new ATOM 0 HB2 PHE A 66 65.141 -32.691 -0.711 1.00 41.00 H new ATOM 0 HB3 PHE A 66 66.082 -33.677 0.390 1.00 41.00 H new ATOM 0 HD1 PHE A 66 62.691 -32.642 -0.566 1.00 22.20 H new ATOM 0 HD2 PHE A 66 64.997 -35.103 2.036 1.00 54.24 H new ATOM 0 HE1 PHE A 66 60.668 -33.898 0.036 1.00 15.02 H new ATOM 0 HE2 PHE A 66 62.977 -36.365 2.636 1.00 15.32 H new ATOM 0 HZ PHE A 66 60.808 -35.768 1.634 1.00 31.12 H new ATOM 941 N VAL A 67 64.535 -31.452 3.429 1.00 22.14 N ATOM 942 CA VAL A 67 64.339 -31.725 4.849 1.00 64.43 C ATOM 943 C VAL A 67 62.870 -31.603 5.235 1.00 3.30 C ATOM 944 O VAL A 67 62.051 -31.119 4.454 1.00 12.20 O ATOM 945 CB VAL A 67 65.170 -30.766 5.723 1.00 23.00 C ATOM 946 CG1 VAL A 67 66.646 -30.862 5.369 1.00 54.14 C ATOM 947 CG2 VAL A 67 64.670 -29.337 5.571 1.00 55.33 C ATOM 0 H VAL A 67 63.996 -30.663 3.073 1.00 22.14 H new ATOM 0 HA VAL A 67 64.673 -32.748 5.024 1.00 64.43 H new ATOM 0 HB VAL A 67 65.051 -31.060 6.766 1.00 23.00 H new ATOM 0 HG11 VAL A 67 67.216 -30.177 5.997 1.00 54.14 H new ATOM 0 HG12 VAL A 67 66.994 -31.881 5.535 1.00 54.14 H new ATOM 0 HG13 VAL A 67 66.787 -30.596 4.321 1.00 54.14 H new ATOM 0 HG21 VAL A 67 65.269 -28.674 6.195 1.00 55.33 H new ATOM 0 HG22 VAL A 67 64.757 -29.030 4.529 1.00 55.33 H new ATOM 0 HG23 VAL A 67 63.626 -29.282 5.880 1.00 55.33 H new ATOM 957 N ARG A 68 62.543 -32.044 6.445 1.00 40.25 N ATOM 958 CA ARG A 68 61.172 -31.985 6.936 1.00 51.34 C ATOM 959 C ARG A 68 60.933 -30.706 7.731 1.00 33.21 C ATOM 960 O ARG A 68 61.817 -30.232 8.447 1.00 55.20 O ATOM 961 CB ARG A 68 60.867 -33.206 7.806 1.00 2.34 C ATOM 962 CG ARG A 68 59.934 -32.906 8.969 1.00 24.50 C ATOM 963 CD ARG A 68 59.351 -34.181 9.559 1.00 64.22 C ATOM 964 NE ARG A 68 60.171 -34.704 10.648 1.00 11.01 N ATOM 965 CZ ARG A 68 59.727 -35.570 11.552 1.00 5.41 C ATOM 966 NH1 ARG A 68 58.476 -36.008 11.496 1.00 24.14 N ATOM 967 NH2 ARG A 68 60.533 -36.000 12.514 1.00 44.35 N ATOM 0 H ARG A 68 63.210 -32.446 7.104 1.00 40.25 H new ATOM 0 HA ARG A 68 60.504 -31.985 6.075 1.00 51.34 H new ATOM 0 HB2 ARG A 68 60.421 -33.983 7.184 1.00 2.34 H new ATOM 0 HB3 ARG A 68 61.803 -33.607 8.196 1.00 2.34 H new ATOM 0 HG2 ARG A 68 60.477 -32.362 9.741 1.00 24.50 H new ATOM 0 HG3 ARG A 68 59.126 -32.258 8.631 1.00 24.50 H new ATOM 0 HD2 ARG A 68 58.344 -33.983 9.926 1.00 64.22 H new ATOM 0 HD3 ARG A 68 59.263 -34.935 8.777 1.00 64.22 H new ATOM 0 HE ARG A 68 61.138 -34.387 10.718 1.00 11.01 H new ATOM 0 HH11 ARG A 68 57.853 -35.680 10.758 1.00 24.14 H new ATOM 0 HH12 ARG A 68 58.137 -36.673 12.191 1.00 24.14 H new ATOM 0 HH21 ARG A 68 61.495 -35.666 12.560 1.00 44.35 H new ATOM 0 HH22 ARG A 68 60.190 -36.665 13.207 1.00 44.35 H new ATOM 981 N THR A 69 59.732 -30.150 7.603 1.00 43.04 N ATOM 982 CA THR A 69 59.377 -28.924 8.307 1.00 74.53 C ATOM 983 C THR A 69 59.816 -28.984 9.767 1.00 1.33 C ATOM 984 O THR A 69 60.422 -28.045 10.282 1.00 44.14 O ATOM 985 CB THR A 69 57.861 -28.661 8.248 1.00 35.21 C ATOM 986 OG1 THR A 69 57.518 -27.578 9.119 1.00 23.12 O ATOM 987 CG2 THR A 69 57.080 -29.905 8.646 1.00 70.42 C ATOM 0 H THR A 69 58.988 -30.530 7.018 1.00 43.04 H new ATOM 0 HA THR A 69 59.898 -28.108 7.806 1.00 74.53 H new ATOM 0 HB THR A 69 57.599 -28.399 7.223 1.00 35.21 H new ATOM 0 HG1 THR A 69 56.553 -27.416 9.075 1.00 23.12 H new ATOM 0 HG21 THR A 69 56.012 -29.695 8.597 1.00 70.42 H new ATOM 0 HG22 THR A 69 57.321 -30.720 7.964 1.00 70.42 H new ATOM 0 HG23 THR A 69 57.347 -30.192 9.663 1.00 70.42 H new ATOM 995 N ASP A 70 59.504 -30.093 10.428 1.00 71.55 N ATOM 996 CA ASP A 70 59.868 -30.275 11.828 1.00 54.22 C ATOM 997 C ASP A 70 61.355 -30.016 12.042 1.00 34.11 C ATOM 998 O ASP A 70 61.739 -29.223 12.902 1.00 41.31 O ATOM 999 CB ASP A 70 59.513 -31.691 12.289 1.00 10.01 C ATOM 1000 CG ASP A 70 59.762 -31.896 13.770 1.00 75.13 C ATOM 1001 OD1 ASP A 70 59.303 -31.055 14.571 1.00 52.12 O ATOM 1002 OD2 ASP A 70 60.415 -32.898 14.129 1.00 73.03 O ATOM 0 H ASP A 70 59.000 -30.879 10.017 1.00 71.55 H new ATOM 0 HA ASP A 70 59.304 -29.555 12.421 1.00 54.22 H new ATOM 0 HB2 ASP A 70 58.464 -31.890 12.069 1.00 10.01 H new ATOM 0 HB3 ASP A 70 60.100 -32.413 11.721 1.00 10.01 H new ATOM 1007 N GLU A 71 62.188 -30.690 11.256 1.00 53.22 N ATOM 1008 CA GLU A 71 63.634 -30.532 11.362 1.00 75.24 C ATOM 1009 C GLU A 71 64.032 -29.064 11.238 1.00 73.01 C ATOM 1010 O GLU A 71 64.927 -28.592 11.939 1.00 23.14 O ATOM 1011 CB GLU A 71 64.339 -31.356 10.281 1.00 73.51 C ATOM 1012 CG GLU A 71 63.970 -32.829 10.301 1.00 12.52 C ATOM 1013 CD GLU A 71 64.187 -33.468 11.658 1.00 61.33 C ATOM 1014 OE1 GLU A 71 65.137 -33.060 12.359 1.00 23.10 O ATOM 1015 OE2 GLU A 71 63.411 -34.376 12.020 1.00 42.22 O ATOM 0 H GLU A 71 61.887 -31.350 10.539 1.00 53.22 H new ATOM 0 HA GLU A 71 63.942 -30.892 12.343 1.00 75.24 H new ATOM 0 HB2 GLU A 71 64.094 -30.942 9.303 1.00 73.51 H new ATOM 0 HB3 GLU A 71 65.417 -31.259 10.407 1.00 73.51 H new ATOM 0 HG2 GLU A 71 62.924 -32.941 10.014 1.00 12.52 H new ATOM 0 HG3 GLU A 71 64.564 -33.358 9.556 1.00 12.52 H new ATOM 1022 N VAL A 72 63.361 -28.349 10.342 1.00 0.10 N ATOM 1023 CA VAL A 72 63.642 -26.935 10.126 1.00 72.10 C ATOM 1024 C VAL A 72 63.116 -26.087 11.278 1.00 34.53 C ATOM 1025 O VAL A 72 63.756 -25.121 11.696 1.00 74.22 O ATOM 1026 CB VAL A 72 63.021 -26.433 8.809 1.00 64.41 C ATOM 1027 CG1 VAL A 72 63.623 -25.095 8.411 1.00 65.14 C ATOM 1028 CG2 VAL A 72 63.209 -27.462 7.705 1.00 71.54 C ATOM 0 H VAL A 72 62.618 -28.726 9.753 1.00 0.10 H new ATOM 0 HA VAL A 72 64.726 -26.834 10.070 1.00 72.10 H new ATOM 0 HB VAL A 72 61.951 -26.291 8.963 1.00 64.41 H new ATOM 0 HG11 VAL A 72 63.172 -24.756 7.478 1.00 65.14 H new ATOM 0 HG12 VAL A 72 63.430 -24.362 9.194 1.00 65.14 H new ATOM 0 HG13 VAL A 72 64.699 -25.206 8.275 1.00 65.14 H new ATOM 0 HG21 VAL A 72 62.764 -27.091 6.782 1.00 71.54 H new ATOM 0 HG22 VAL A 72 64.273 -27.639 7.550 1.00 71.54 H new ATOM 0 HG23 VAL A 72 62.724 -28.395 7.991 1.00 71.54 H new ATOM 1038 N ARG A 73 61.946 -26.456 11.792 1.00 42.24 N ATOM 1039 CA ARG A 73 61.334 -25.729 12.896 1.00 14.43 C ATOM 1040 C ARG A 73 62.284 -25.646 14.086 1.00 20.31 C ATOM 1041 O ARG A 73 62.372 -24.613 14.750 1.00 73.44 O ATOM 1042 CB ARG A 73 60.029 -26.407 13.319 1.00 4.22 C ATOM 1043 CG ARG A 73 59.240 -25.619 14.353 1.00 52.42 C ATOM 1044 CD ARG A 73 59.653 -25.990 15.769 1.00 60.01 C ATOM 1045 NE ARG A 73 58.583 -25.746 16.732 1.00 4.13 N ATOM 1046 CZ ARG A 73 58.629 -26.144 17.998 1.00 73.22 C ATOM 1047 NH1 ARG A 73 59.688 -26.802 18.451 1.00 74.12 N ATOM 1048 NH2 ARG A 73 57.616 -25.885 18.814 1.00 21.34 N ATOM 0 H ARG A 73 61.404 -27.254 11.461 1.00 42.24 H new ATOM 0 HA ARG A 73 61.117 -24.717 12.555 1.00 14.43 H new ATOM 0 HB2 ARG A 73 59.406 -26.559 12.438 1.00 4.22 H new ATOM 0 HB3 ARG A 73 60.256 -27.394 13.723 1.00 4.22 H new ATOM 0 HG2 ARG A 73 59.395 -24.552 14.195 1.00 52.42 H new ATOM 0 HG3 ARG A 73 58.175 -25.809 14.222 1.00 52.42 H new ATOM 0 HD2 ARG A 73 59.936 -27.042 15.800 1.00 60.01 H new ATOM 0 HD3 ARG A 73 60.534 -25.414 16.052 1.00 60.01 H new ATOM 0 HE ARG A 73 57.755 -25.242 16.415 1.00 4.13 H new ATOM 0 HH11 ARG A 73 60.469 -27.003 17.827 1.00 74.12 H new ATOM 0 HH12 ARG A 73 59.721 -27.107 19.424 1.00 74.12 H new ATOM 0 HH21 ARG A 73 56.800 -25.379 18.469 1.00 21.34 H new ATOM 0 HH22 ARG A 73 57.653 -26.191 19.786 1.00 21.34 H new ATOM 1062 N GLN A 74 62.992 -26.739 14.350 1.00 43.21 N ATOM 1063 CA GLN A 74 63.935 -26.789 15.460 1.00 32.13 C ATOM 1064 C GLN A 74 64.915 -25.623 15.396 1.00 23.13 C ATOM 1065 O GLN A 74 65.459 -25.197 16.416 1.00 11.50 O ATOM 1066 CB GLN A 74 64.700 -28.114 15.448 1.00 71.24 C ATOM 1067 CG GLN A 74 63.876 -29.297 15.929 1.00 35.01 C ATOM 1068 CD GLN A 74 64.322 -30.608 15.313 1.00 61.54 C ATOM 1069 OE1 GLN A 74 65.388 -30.689 14.701 1.00 21.51 O ATOM 1070 NE2 GLN A 74 63.508 -31.645 15.471 1.00 1.40 N ATOM 0 H GLN A 74 62.930 -27.602 13.810 1.00 43.21 H new ATOM 0 HA GLN A 74 63.368 -26.713 16.388 1.00 32.13 H new ATOM 0 HB2 GLN A 74 65.049 -28.313 14.435 1.00 71.24 H new ATOM 0 HB3 GLN A 74 65.585 -28.019 16.077 1.00 71.24 H new ATOM 0 HG2 GLN A 74 63.947 -29.367 17.014 1.00 35.01 H new ATOM 0 HG3 GLN A 74 62.827 -29.126 15.689 1.00 35.01 H new ATOM 0 HE21 GLN A 74 62.634 -31.534 15.985 1.00 1.40 H new ATOM 0 HE22 GLN A 74 63.756 -32.553 15.078 1.00 1.40 H new ATOM 1079 N LEU A 75 65.136 -25.109 14.191 1.00 25.23 N ATOM 1080 CA LEU A 75 66.051 -23.989 13.992 1.00 33.32 C ATOM 1081 C LEU A 75 65.308 -22.764 13.472 1.00 4.35 C ATOM 1082 O LEU A 75 64.077 -22.713 13.499 1.00 62.30 O ATOM 1083 CB LEU A 75 67.162 -24.379 13.016 1.00 52.30 C ATOM 1084 CG LEU A 75 67.860 -25.712 13.291 1.00 3.55 C ATOM 1085 CD1 LEU A 75 67.093 -26.858 12.649 1.00 33.10 C ATOM 1086 CD2 LEU A 75 69.294 -25.677 12.785 1.00 42.31 C ATOM 0 H LEU A 75 64.694 -25.449 13.337 1.00 25.23 H new ATOM 0 HA LEU A 75 66.494 -23.739 14.956 1.00 33.32 H new ATOM 0 HB2 LEU A 75 66.740 -24.413 12.011 1.00 52.30 H new ATOM 0 HB3 LEU A 75 67.914 -23.590 13.019 1.00 52.30 H new ATOM 0 HG LEU A 75 67.881 -25.875 14.369 1.00 3.55 H new ATOM 0 HD11 LEU A 75 67.604 -27.798 12.855 1.00 33.10 H new ATOM 0 HD12 LEU A 75 66.084 -26.896 13.060 1.00 33.10 H new ATOM 0 HD13 LEU A 75 67.040 -26.702 11.571 1.00 33.10 H new ATOM 0 HD21 LEU A 75 69.775 -26.633 12.989 1.00 42.31 H new ATOM 0 HD22 LEU A 75 69.296 -25.491 11.711 1.00 42.31 H new ATOM 0 HD23 LEU A 75 69.839 -24.881 13.292 1.00 42.31 H new ATOM 1098 N ARG A 76 66.062 -21.779 12.995 1.00 23.44 N ATOM 1099 CA ARG A 76 65.474 -20.553 12.466 1.00 52.01 C ATOM 1100 C ARG A 76 65.700 -20.448 10.961 1.00 3.01 C ATOM 1101 O ARG A 76 66.287 -21.339 10.347 1.00 54.31 O ATOM 1102 CB ARG A 76 66.070 -19.332 13.170 1.00 44.51 C ATOM 1103 CG ARG A 76 67.539 -19.105 12.855 1.00 62.35 C ATOM 1104 CD ARG A 76 67.992 -17.717 13.278 1.00 72.21 C ATOM 1105 NE ARG A 76 68.696 -17.019 12.206 1.00 61.25 N ATOM 1106 CZ ARG A 76 69.151 -15.776 12.312 1.00 74.34 C ATOM 1107 NH1 ARG A 76 68.978 -15.097 13.438 1.00 11.51 N ATOM 1108 NH2 ARG A 76 69.782 -15.209 11.292 1.00 73.22 N ATOM 0 H ARG A 76 67.081 -21.806 12.964 1.00 23.44 H new ATOM 0 HA ARG A 76 64.401 -20.583 12.653 1.00 52.01 H new ATOM 0 HB2 ARG A 76 65.504 -18.446 12.883 1.00 44.51 H new ATOM 0 HB3 ARG A 76 65.952 -19.451 14.247 1.00 44.51 H new ATOM 0 HG2 ARG A 76 68.142 -19.857 13.365 1.00 62.35 H new ATOM 0 HG3 ARG A 76 67.707 -19.233 11.786 1.00 62.35 H new ATOM 0 HD2 ARG A 76 67.125 -17.131 13.584 1.00 72.21 H new ATOM 0 HD3 ARG A 76 68.645 -17.798 14.147 1.00 72.21 H new ATOM 0 HE ARG A 76 68.847 -17.514 11.327 1.00 61.25 H new ATOM 0 HH11 ARG A 76 68.495 -15.529 14.225 1.00 11.51 H new ATOM 0 HH12 ARG A 76 69.328 -14.142 13.517 1.00 11.51 H new ATOM 0 HH21 ARG A 76 69.918 -15.728 10.425 1.00 73.22 H new ATOM 0 HH22 ARG A 76 70.131 -14.254 11.375 1.00 73.22 H new ATOM 1122 N ARG A 77 65.229 -19.353 10.372 1.00 72.31 N ATOM 1123 CA ARG A 77 65.378 -19.132 8.940 1.00 63.23 C ATOM 1124 C ARG A 77 66.805 -18.710 8.599 1.00 71.32 C ATOM 1125 O ARG A 77 67.331 -17.751 9.163 1.00 21.20 O ATOM 1126 CB ARG A 77 64.392 -18.065 8.461 1.00 22.34 C ATOM 1127 CG ARG A 77 62.946 -18.530 8.454 1.00 54.53 C ATOM 1128 CD ARG A 77 62.099 -17.733 9.432 1.00 10.42 C ATOM 1129 NE ARG A 77 60.721 -17.586 8.969 1.00 20.30 N ATOM 1130 CZ ARG A 77 59.775 -16.961 9.662 1.00 23.51 C ATOM 1131 NH1 ARG A 77 60.058 -16.426 10.842 1.00 31.21 N ATOM 1132 NH2 ARG A 77 58.545 -16.868 9.173 1.00 33.41 N ATOM 0 H ARG A 77 64.741 -18.606 10.866 1.00 72.31 H new ATOM 0 HA ARG A 77 65.163 -20.071 8.430 1.00 63.23 H new ATOM 0 HB2 ARG A 77 64.479 -17.188 9.102 1.00 22.34 H new ATOM 0 HB3 ARG A 77 64.669 -17.753 7.454 1.00 22.34 H new ATOM 0 HG2 ARG A 77 62.535 -18.429 7.449 1.00 54.53 H new ATOM 0 HG3 ARG A 77 62.902 -19.588 8.712 1.00 54.53 H new ATOM 0 HD2 ARG A 77 62.104 -18.228 10.403 1.00 10.42 H new ATOM 0 HD3 ARG A 77 62.541 -16.747 9.574 1.00 10.42 H new ATOM 0 HE ARG A 77 60.471 -17.985 8.064 1.00 20.30 H new ATOM 0 HH11 ARG A 77 61.003 -16.494 11.219 1.00 31.21 H new ATOM 0 HH12 ARG A 77 59.330 -15.947 11.372 1.00 31.21 H new ATOM 0 HH21 ARG A 77 58.325 -17.276 8.265 1.00 33.41 H new ATOM 0 HH22 ARG A 77 57.819 -16.388 9.706 1.00 33.41 H new ATOM 1146 N GLY A 78 67.427 -19.435 7.674 1.00 15.31 N ATOM 1147 CA GLY A 78 68.786 -19.122 7.276 1.00 2.00 C ATOM 1148 C GLY A 78 69.808 -20.019 7.946 1.00 11.13 C ATOM 1149 O GLY A 78 70.973 -19.648 8.085 1.00 34.42 O ATOM 0 H GLY A 78 67.013 -20.234 7.193 1.00 15.31 H new ATOM 0 HA2 GLY A 78 68.876 -19.219 6.194 1.00 2.00 H new ATOM 0 HA3 GLY A 78 69.003 -18.082 7.522 1.00 2.00 H new ATOM 1153 N ASP A 79 69.371 -21.202 8.363 1.00 51.33 N ATOM 1154 CA ASP A 79 70.256 -22.156 9.022 1.00 3.25 C ATOM 1155 C ASP A 79 71.052 -22.957 7.998 1.00 52.45 C ATOM 1156 O ASP A 79 70.502 -23.801 7.290 1.00 43.42 O ATOM 1157 CB ASP A 79 69.449 -23.102 9.912 1.00 32.53 C ATOM 1158 CG ASP A 79 69.385 -22.629 11.352 1.00 73.02 C ATOM 1159 OD1 ASP A 79 68.467 -21.850 11.680 1.00 2.21 O ATOM 1160 OD2 ASP A 79 70.255 -23.038 12.150 1.00 22.34 O ATOM 0 H ASP A 79 68.409 -21.524 8.256 1.00 51.33 H new ATOM 0 HA ASP A 79 70.956 -21.596 9.641 1.00 3.25 H new ATOM 0 HB2 ASP A 79 68.437 -23.193 9.517 1.00 32.53 H new ATOM 0 HB3 ASP A 79 69.895 -24.096 9.879 1.00 32.53 H new ATOM 1165 N THR A 80 72.352 -22.687 7.923 1.00 33.21 N ATOM 1166 CA THR A 80 73.224 -23.381 6.984 1.00 71.34 C ATOM 1167 C THR A 80 73.785 -24.660 7.596 1.00 64.11 C ATOM 1168 O THR A 80 74.622 -24.612 8.499 1.00 15.30 O ATOM 1169 CB THR A 80 74.393 -22.485 6.535 1.00 24.21 C ATOM 1170 OG1 THR A 80 75.428 -23.284 5.952 1.00 44.42 O ATOM 1171 CG2 THR A 80 74.954 -21.699 7.711 1.00 63.33 C ATOM 0 H THR A 80 72.824 -21.992 8.502 1.00 33.21 H new ATOM 0 HA THR A 80 72.615 -23.634 6.116 1.00 71.34 H new ATOM 0 HB THR A 80 74.017 -21.781 5.793 1.00 24.21 H new ATOM 0 HG1 THR A 80 75.898 -22.762 5.269 1.00 44.42 H new ATOM 0 HG21 THR A 80 75.779 -21.073 7.370 1.00 63.33 H new ATOM 0 HG22 THR A 80 74.171 -21.069 8.134 1.00 63.33 H new ATOM 0 HG23 THR A 80 75.314 -22.391 8.472 1.00 63.33 H new ATOM 1179 N LEU A 81 73.321 -25.800 7.100 1.00 55.44 N ATOM 1180 CA LEU A 81 73.777 -27.094 7.597 1.00 31.01 C ATOM 1181 C LEU A 81 74.883 -27.660 6.711 1.00 25.25 C ATOM 1182 O LEU A 81 74.780 -27.643 5.485 1.00 54.43 O ATOM 1183 CB LEU A 81 72.608 -28.078 7.664 1.00 34.02 C ATOM 1184 CG LEU A 81 71.567 -27.961 6.551 1.00 44.40 C ATOM 1185 CD1 LEU A 81 70.674 -26.752 6.781 1.00 42.12 C ATOM 1186 CD2 LEU A 81 72.247 -27.873 5.191 1.00 35.42 C ATOM 0 H LEU A 81 72.628 -25.856 6.353 1.00 55.44 H new ATOM 0 HA LEU A 81 74.179 -26.948 8.600 1.00 31.01 H new ATOM 0 HB2 LEU A 81 73.011 -29.091 7.652 1.00 34.02 H new ATOM 0 HB3 LEU A 81 72.103 -27.947 8.621 1.00 34.02 H new ATOM 0 HG LEU A 81 70.944 -28.856 6.567 1.00 44.40 H new ATOM 0 HD11 LEU A 81 69.939 -26.685 5.979 1.00 42.12 H new ATOM 0 HD12 LEU A 81 70.160 -26.856 7.736 1.00 42.12 H new ATOM 0 HD13 LEU A 81 71.282 -25.847 6.793 1.00 42.12 H new ATOM 0 HD21 LEU A 81 71.491 -27.790 4.411 1.00 35.42 H new ATOM 0 HD22 LEU A 81 72.894 -26.996 5.164 1.00 35.42 H new ATOM 0 HD23 LEU A 81 72.844 -28.770 5.024 1.00 35.42 H new ATOM 1198 N THR A 82 75.941 -28.160 7.341 1.00 70.22 N ATOM 1199 CA THR A 82 77.065 -28.731 6.612 1.00 40.45 C ATOM 1200 C THR A 82 76.896 -30.235 6.429 1.00 13.12 C ATOM 1201 O THR A 82 77.133 -31.013 7.354 1.00 13.41 O ATOM 1202 CB THR A 82 78.399 -28.461 7.332 1.00 72.12 C ATOM 1203 OG1 THR A 82 79.469 -29.123 6.649 1.00 41.32 O ATOM 1204 CG2 THR A 82 78.341 -28.938 8.776 1.00 53.23 C ATOM 0 H THR A 82 76.042 -28.181 8.356 1.00 70.22 H new ATOM 0 HA THR A 82 77.084 -28.248 5.635 1.00 40.45 H new ATOM 0 HB THR A 82 78.577 -27.386 7.327 1.00 72.12 H new ATOM 0 HG1 THR A 82 80.313 -28.944 7.113 1.00 41.32 H new ATOM 0 HG21 THR A 82 79.295 -28.737 9.264 1.00 53.23 H new ATOM 0 HG22 THR A 82 77.545 -28.410 9.302 1.00 53.23 H new ATOM 0 HG23 THR A 82 78.141 -30.009 8.798 1.00 53.23 H new ATOM 1212 N ILE A 83 76.484 -30.638 5.232 1.00 50.55 N ATOM 1213 CA ILE A 83 76.284 -32.050 4.929 1.00 40.34 C ATOM 1214 C ILE A 83 76.928 -32.423 3.597 1.00 32.14 C ATOM 1215 O ILE A 83 76.720 -31.753 2.586 1.00 3.22 O ATOM 1216 CB ILE A 83 74.788 -32.409 4.880 1.00 35.23 C ATOM 1217 CG1 ILE A 83 74.426 -33.003 3.517 1.00 74.12 C ATOM 1218 CG2 ILE A 83 73.939 -31.181 5.171 1.00 33.25 C ATOM 1219 CD1 ILE A 83 74.125 -31.960 2.465 1.00 23.04 C ATOM 0 H ILE A 83 76.282 -30.007 4.456 1.00 50.55 H new ATOM 0 HA ILE A 83 76.759 -32.615 5.731 1.00 40.34 H new ATOM 0 HB ILE A 83 74.585 -33.157 5.646 1.00 35.23 H new ATOM 0 HG12 ILE A 83 75.249 -33.628 3.172 1.00 74.12 H new ATOM 0 HG13 ILE A 83 73.558 -33.653 3.632 1.00 74.12 H new ATOM 0 HG21 ILE A 83 72.884 -31.451 5.133 1.00 33.25 H new ATOM 0 HG22 ILE A 83 74.180 -30.799 6.163 1.00 33.25 H new ATOM 0 HG23 ILE A 83 74.144 -30.412 4.426 1.00 33.25 H new ATOM 0 HD11 ILE A 83 73.877 -32.453 1.525 1.00 23.04 H new ATOM 0 HD12 ILE A 83 73.282 -31.349 2.789 1.00 23.04 H new ATOM 0 HD13 ILE A 83 74.999 -31.325 2.322 1.00 23.04 H new ATOM 1231 N GLY A 84 77.709 -33.499 3.604 1.00 44.12 N ATOM 1232 CA GLY A 84 78.370 -33.944 2.391 1.00 23.30 C ATOM 1233 C GLY A 84 79.482 -33.007 1.960 1.00 45.54 C ATOM 1234 O GLY A 84 80.646 -33.400 1.906 1.00 75.03 O ATOM 0 H GLY A 84 77.896 -34.070 4.428 1.00 44.12 H new ATOM 0 HA2 GLY A 84 78.780 -34.941 2.549 1.00 23.30 H new ATOM 0 HA3 GLY A 84 77.636 -34.025 1.589 1.00 23.30 H new ATOM 1238 N GLU A 85 79.121 -31.766 1.649 1.00 44.11 N ATOM 1239 CA GLU A 85 80.098 -30.772 1.218 1.00 51.33 C ATOM 1240 C GLU A 85 80.417 -29.797 2.347 1.00 2.34 C ATOM 1241 O GLU A 85 81.420 -29.945 3.042 1.00 24.53 O ATOM 1242 CB GLU A 85 79.576 -30.008 -0.001 1.00 30.34 C ATOM 1243 CG GLU A 85 80.563 -28.991 -0.550 1.00 75.45 C ATOM 1244 CD GLU A 85 81.821 -29.638 -1.096 1.00 72.30 C ATOM 1245 OE1 GLU A 85 81.816 -30.044 -2.277 1.00 63.42 O ATOM 1246 OE2 GLU A 85 82.812 -29.737 -0.342 1.00 70.30 O ATOM 0 H GLU A 85 78.160 -31.425 1.687 1.00 44.11 H new ATOM 0 HA GLU A 85 81.015 -31.295 0.945 1.00 51.33 H new ATOM 0 HB2 GLU A 85 79.327 -30.721 -0.787 1.00 30.34 H new ATOM 0 HB3 GLU A 85 78.652 -29.496 0.270 1.00 30.34 H new ATOM 0 HG2 GLU A 85 80.083 -28.414 -1.340 1.00 75.45 H new ATOM 0 HG3 GLU A 85 80.833 -28.289 0.239 1.00 75.45 H new ATOM 1253 N GLU A 86 79.555 -28.800 2.521 1.00 1.34 N ATOM 1254 CA GLU A 86 79.745 -27.799 3.564 1.00 73.43 C ATOM 1255 C GLU A 86 78.408 -27.210 4.004 1.00 51.30 C ATOM 1256 O GLU A 86 77.411 -27.304 3.289 1.00 52.32 O ATOM 1257 CB GLU A 86 80.669 -26.684 3.069 1.00 1.34 C ATOM 1258 CG GLU A 86 82.050 -27.171 2.666 1.00 72.14 C ATOM 1259 CD GLU A 86 82.949 -26.046 2.190 1.00 35.54 C ATOM 1260 OE1 GLU A 86 82.423 -24.955 1.888 1.00 43.41 O ATOM 1261 OE2 GLU A 86 84.177 -26.257 2.121 1.00 71.32 O ATOM 0 H GLU A 86 78.719 -28.664 1.953 1.00 1.34 H new ATOM 0 HA GLU A 86 80.206 -28.289 4.422 1.00 73.43 H new ATOM 0 HB2 GLU A 86 80.204 -26.191 2.216 1.00 1.34 H new ATOM 0 HB3 GLU A 86 80.772 -25.934 3.853 1.00 1.34 H new ATOM 0 HG2 GLU A 86 82.517 -27.670 3.515 1.00 72.14 H new ATOM 0 HG3 GLU A 86 81.953 -27.913 1.874 1.00 72.14 H new ATOM 1268 N ASN A 87 78.396 -26.603 5.186 1.00 31.22 N ATOM 1269 CA ASN A 87 77.181 -26.000 5.723 1.00 60.32 C ATOM 1270 C ASN A 87 76.545 -25.059 4.705 1.00 41.43 C ATOM 1271 O ASN A 87 77.190 -24.135 4.210 1.00 1.13 O ATOM 1272 CB ASN A 87 77.493 -25.237 7.013 1.00 51.53 C ATOM 1273 CG ASN A 87 78.853 -24.567 6.974 1.00 31.11 C ATOM 1274 OD1 ASN A 87 79.887 -25.234 6.998 1.00 41.44 O ATOM 1275 ND2 ASN A 87 78.857 -23.241 6.914 1.00 1.01 N ATOM 0 H ASN A 87 79.213 -26.515 5.790 1.00 31.22 H new ATOM 0 HA ASN A 87 76.475 -26.800 5.943 1.00 60.32 H new ATOM 0 HB2 ASN A 87 76.724 -24.483 7.181 1.00 51.53 H new ATOM 0 HB3 ASN A 87 77.454 -25.925 7.857 1.00 51.53 H new ATOM 0 HD21 ASN A 87 79.742 -22.734 6.886 1.00 1.01 H new ATOM 0 HD22 ASN A 87 77.975 -22.729 6.896 1.00 1.01 H new ATOM 1282 N PHE A 88 75.276 -25.302 4.395 1.00 12.15 N ATOM 1283 CA PHE A 88 74.552 -24.477 3.436 1.00 4.20 C ATOM 1284 C PHE A 88 73.182 -24.084 3.980 1.00 12.45 C ATOM 1285 O PHE A 88 72.352 -24.943 4.282 1.00 72.24 O ATOM 1286 CB PHE A 88 74.391 -25.223 2.109 1.00 71.31 C ATOM 1287 CG PHE A 88 75.684 -25.751 1.558 1.00 33.40 C ATOM 1288 CD1 PHE A 88 76.837 -24.984 1.604 1.00 44.22 C ATOM 1289 CD2 PHE A 88 75.747 -27.015 0.993 1.00 33.34 C ATOM 1290 CE1 PHE A 88 78.029 -25.467 1.098 1.00 41.34 C ATOM 1291 CE2 PHE A 88 76.936 -27.504 0.486 1.00 74.42 C ATOM 1292 CZ PHE A 88 78.078 -26.729 0.538 1.00 2.01 C ATOM 0 H PHE A 88 74.728 -26.064 4.794 1.00 12.15 H new ATOM 0 HA PHE A 88 75.130 -23.569 3.267 1.00 4.20 H new ATOM 0 HB2 PHE A 88 73.699 -26.053 2.250 1.00 71.31 H new ATOM 0 HB3 PHE A 88 73.940 -24.553 1.377 1.00 71.31 H new ATOM 0 HD1 PHE A 88 76.804 -23.997 2.041 1.00 44.22 H new ATOM 0 HD2 PHE A 88 74.857 -27.625 0.948 1.00 33.34 H new ATOM 0 HE1 PHE A 88 78.921 -24.859 1.140 1.00 41.34 H new ATOM 0 HE2 PHE A 88 76.972 -28.491 0.050 1.00 74.42 H new ATOM 0 HZ PHE A 88 79.008 -27.109 0.141 1.00 2.01 H new ATOM 1302 N TRP A 89 72.952 -22.782 4.103 1.00 2.31 N ATOM 1303 CA TRP A 89 71.683 -22.275 4.611 1.00 14.14 C ATOM 1304 C TRP A 89 70.616 -22.283 3.522 1.00 61.51 C ATOM 1305 O TRP A 89 70.880 -21.907 2.379 1.00 64.43 O ATOM 1306 CB TRP A 89 71.859 -20.858 5.160 1.00 50.15 C ATOM 1307 CG TRP A 89 72.390 -19.891 4.146 1.00 42.14 C ATOM 1308 CD1 TRP A 89 71.729 -19.400 3.056 1.00 52.10 C ATOM 1309 CD2 TRP A 89 73.693 -19.298 4.126 1.00 54.45 C ATOM 1310 NE1 TRP A 89 72.543 -18.540 2.360 1.00 1.24 N ATOM 1311 CE2 TRP A 89 73.752 -18.459 2.997 1.00 64.33 C ATOM 1312 CE3 TRP A 89 74.815 -19.393 4.954 1.00 52.25 C ATOM 1313 CZ2 TRP A 89 74.889 -17.722 2.676 1.00 60.50 C ATOM 1314 CZ3 TRP A 89 75.943 -18.662 4.634 1.00 52.43 C ATOM 1315 CH2 TRP A 89 75.973 -17.835 3.504 1.00 42.23 C ATOM 0 H TRP A 89 73.628 -22.058 3.858 1.00 2.31 H new ATOM 0 HA TRP A 89 71.356 -22.932 5.417 1.00 14.14 H new ATOM 0 HB2 TRP A 89 70.899 -20.497 5.528 1.00 50.15 H new ATOM 0 HB3 TRP A 89 72.537 -20.888 6.013 1.00 50.15 H new ATOM 0 HD1 TRP A 89 70.715 -19.651 2.782 1.00 52.10 H new ATOM 0 HE1 TRP A 89 72.288 -18.042 1.507 1.00 1.24 H new ATOM 0 HE3 TRP A 89 74.801 -20.027 5.828 1.00 52.25 H new ATOM 0 HZ2 TRP A 89 74.915 -17.084 1.805 1.00 60.50 H new ATOM 0 HZ3 TRP A 89 76.816 -18.729 5.266 1.00 52.43 H new ATOM 0 HH2 TRP A 89 76.869 -17.275 3.282 1.00 42.23 H new ATOM 1326 N VAL A 90 69.411 -22.713 3.881 1.00 3.35 N ATOM 1327 CA VAL A 90 68.304 -22.767 2.933 1.00 62.44 C ATOM 1328 C VAL A 90 67.524 -21.458 2.923 1.00 31.24 C ATOM 1329 O VAL A 90 67.229 -20.891 3.975 1.00 23.34 O ATOM 1330 CB VAL A 90 67.342 -23.924 3.261 1.00 30.23 C ATOM 1331 CG1 VAL A 90 66.580 -23.637 4.547 1.00 45.44 C ATOM 1332 CG2 VAL A 90 66.382 -24.161 2.105 1.00 22.23 C ATOM 0 H VAL A 90 69.176 -23.029 4.822 1.00 3.35 H new ATOM 0 HA VAL A 90 68.738 -22.934 1.947 1.00 62.44 H new ATOM 0 HB VAL A 90 67.928 -24.831 3.409 1.00 30.23 H new ATOM 0 HG11 VAL A 90 65.905 -24.465 4.763 1.00 45.44 H new ATOM 0 HG12 VAL A 90 67.286 -23.520 5.370 1.00 45.44 H new ATOM 0 HG13 VAL A 90 66.003 -22.720 4.431 1.00 45.44 H new ATOM 0 HG21 VAL A 90 65.709 -24.982 2.353 1.00 22.23 H new ATOM 0 HG22 VAL A 90 65.800 -23.257 1.924 1.00 22.23 H new ATOM 0 HG23 VAL A 90 66.948 -24.414 1.208 1.00 22.23 H new ATOM 1342 N ASP A 91 67.193 -20.983 1.728 1.00 11.32 N ATOM 1343 CA ASP A 91 66.444 -19.740 1.580 1.00 42.33 C ATOM 1344 C ASP A 91 65.049 -19.870 2.183 1.00 72.12 C ATOM 1345 O ASP A 91 64.736 -19.236 3.191 1.00 42.53 O ATOM 1346 CB ASP A 91 66.340 -19.355 0.103 1.00 51.10 C ATOM 1347 CG ASP A 91 64.993 -18.752 -0.245 1.00 62.11 C ATOM 1348 OD1 ASP A 91 64.728 -17.609 0.180 1.00 45.01 O ATOM 1349 OD2 ASP A 91 64.204 -19.424 -0.942 1.00 73.20 O ATOM 0 H ASP A 91 67.431 -21.439 0.847 1.00 11.32 H new ATOM 0 HA ASP A 91 66.980 -18.956 2.116 1.00 42.33 H new ATOM 0 HB2 ASP A 91 67.128 -18.642 -0.140 1.00 51.10 H new ATOM 0 HB3 ASP A 91 66.509 -20.239 -0.513 1.00 51.10 H new ATOM 1354 N ARG A 92 64.214 -20.696 1.560 1.00 60.44 N ATOM 1355 CA ARG A 92 62.853 -20.908 2.034 1.00 12.40 C ATOM 1356 C ARG A 92 62.258 -22.178 1.431 1.00 61.31 C ATOM 1357 O ARG A 92 62.180 -22.321 0.212 1.00 52.31 O ATOM 1358 CB ARG A 92 61.975 -19.704 1.683 1.00 75.24 C ATOM 1359 CG ARG A 92 60.507 -19.901 2.026 1.00 50.44 C ATOM 1360 CD ARG A 92 59.819 -18.576 2.311 1.00 23.50 C ATOM 1361 NE ARG A 92 59.847 -18.240 3.733 1.00 13.13 N ATOM 1362 CZ ARG A 92 59.030 -18.779 4.630 1.00 12.55 C ATOM 1363 NH1 ARG A 92 58.125 -19.675 4.257 1.00 44.35 N ATOM 1364 NH2 ARG A 92 59.115 -18.423 5.906 1.00 55.22 N ATOM 0 H ARG A 92 64.457 -21.229 0.725 1.00 60.44 H new ATOM 0 HA ARG A 92 62.886 -21.022 3.117 1.00 12.40 H new ATOM 0 HB2 ARG A 92 62.348 -18.826 2.211 1.00 75.24 H new ATOM 0 HB3 ARG A 92 62.066 -19.497 0.617 1.00 75.24 H new ATOM 0 HG2 ARG A 92 60.004 -20.403 1.200 1.00 50.44 H new ATOM 0 HG3 ARG A 92 60.420 -20.552 2.896 1.00 50.44 H new ATOM 0 HD2 ARG A 92 60.306 -17.784 1.742 1.00 23.50 H new ATOM 0 HD3 ARG A 92 58.785 -18.624 1.970 1.00 23.50 H new ATOM 0 HE ARG A 92 60.531 -17.555 4.054 1.00 13.13 H new ATOM 0 HH11 ARG A 92 58.055 -19.952 3.278 1.00 44.35 H new ATOM 0 HH12 ARG A 92 57.499 -20.087 4.949 1.00 44.35 H new ATOM 0 HH21 ARG A 92 59.809 -17.735 6.198 1.00 55.22 H new ATOM 0 HH22 ARG A 92 58.487 -18.838 6.594 1.00 55.22 H new ATOM 1378 N VAL A 93 61.842 -23.098 2.296 1.00 2.31 N ATOM 1379 CA VAL A 93 61.254 -24.355 1.849 1.00 33.43 C ATOM 1380 C VAL A 93 59.812 -24.488 2.328 1.00 54.02 C ATOM 1381 O VAL A 93 59.503 -24.206 3.485 1.00 73.13 O ATOM 1382 CB VAL A 93 62.065 -25.564 2.354 1.00 4.14 C ATOM 1383 CG1 VAL A 93 63.510 -25.469 1.890 1.00 43.43 C ATOM 1384 CG2 VAL A 93 61.988 -25.660 3.870 1.00 53.33 C ATOM 0 H VAL A 93 61.901 -22.996 3.309 1.00 2.31 H new ATOM 0 HA VAL A 93 61.272 -24.344 0.759 1.00 33.43 H new ATOM 0 HB VAL A 93 61.633 -26.472 1.933 1.00 4.14 H new ATOM 0 HG11 VAL A 93 64.067 -26.331 2.256 1.00 43.43 H new ATOM 0 HG12 VAL A 93 63.542 -25.452 0.801 1.00 43.43 H new ATOM 0 HG13 VAL A 93 63.958 -24.555 2.280 1.00 43.43 H new ATOM 0 HG21 VAL A 93 62.566 -26.519 4.210 1.00 53.33 H new ATOM 0 HG22 VAL A 93 62.394 -24.751 4.313 1.00 53.33 H new ATOM 0 HG23 VAL A 93 60.948 -25.779 4.175 1.00 53.33 H new ATOM 1394 N SER A 94 58.934 -24.922 1.429 1.00 22.40 N ATOM 1395 CA SER A 94 57.524 -25.089 1.759 1.00 54.32 C ATOM 1396 C SER A 94 57.030 -26.475 1.349 1.00 65.45 C ATOM 1397 O SER A 94 56.785 -26.751 0.174 1.00 31.21 O ATOM 1398 CB SER A 94 56.685 -24.012 1.068 1.00 53.54 C ATOM 1399 OG SER A 94 57.262 -23.632 -0.169 1.00 23.41 O ATOM 0 H SER A 94 59.174 -25.164 0.468 1.00 22.40 H new ATOM 0 HA SER A 94 57.415 -24.987 2.839 1.00 54.32 H new ATOM 0 HB2 SER A 94 55.674 -24.385 0.902 1.00 53.54 H new ATOM 0 HB3 SER A 94 56.601 -23.140 1.717 1.00 53.54 H new ATOM 0 HG SER A 94 56.706 -22.944 -0.592 1.00 23.41 H new ATOM 1405 N PRO A 95 56.884 -27.366 2.339 1.00 74.30 N ATOM 1406 CA PRO A 95 56.420 -28.738 2.107 1.00 62.30 C ATOM 1407 C PRO A 95 54.949 -28.792 1.708 1.00 42.21 C ATOM 1408 O PRO A 95 54.302 -27.758 1.543 1.00 63.12 O ATOM 1409 CB PRO A 95 56.632 -29.418 3.462 1.00 42.04 C ATOM 1410 CG PRO A 95 56.581 -28.308 4.455 1.00 43.34 C ATOM 1411 CD PRO A 95 57.160 -27.105 3.762 1.00 14.11 C ATOM 0 HA PRO A 95 56.955 -29.216 1.287 1.00 62.30 H new ATOM 0 HB2 PRO A 95 55.858 -30.160 3.658 1.00 42.04 H new ATOM 0 HB3 PRO A 95 57.589 -29.938 3.498 1.00 42.04 H new ATOM 0 HG2 PRO A 95 55.557 -28.118 4.776 1.00 43.34 H new ATOM 0 HG3 PRO A 95 57.154 -28.557 5.348 1.00 43.34 H new ATOM 0 HD2 PRO A 95 56.690 -26.181 4.100 1.00 14.11 H new ATOM 0 HD3 PRO A 95 58.229 -27.007 3.953 1.00 14.11 H new ATOM 1419 N ASP A 96 54.427 -30.004 1.556 1.00 24.01 N ATOM 1420 CA ASP A 96 53.031 -30.193 1.177 1.00 60.13 C ATOM 1421 C ASP A 96 52.309 -31.077 2.188 1.00 74.42 C ATOM 1422 O ASP A 96 51.133 -30.867 2.484 1.00 3.15 O ATOM 1423 CB ASP A 96 52.939 -30.812 -0.218 1.00 11.53 C ATOM 1424 CG ASP A 96 53.333 -29.838 -1.311 1.00 13.52 C ATOM 1425 OD1 ASP A 96 52.911 -28.665 -1.241 1.00 12.14 O ATOM 1426 OD2 ASP A 96 54.062 -30.249 -2.238 1.00 31.50 O ATOM 0 H ASP A 96 54.949 -30.870 1.689 1.00 24.01 H new ATOM 0 HA ASP A 96 52.547 -29.216 1.165 1.00 60.13 H new ATOM 0 HB2 ASP A 96 53.585 -31.689 -0.267 1.00 11.53 H new ATOM 0 HB3 ASP A 96 51.920 -31.157 -0.393 1.00 11.53 H new ATOM 1457 N SER A 100 58.035 -32.393 3.832 1.00 55.30 N ATOM 1458 CA SER A 100 58.699 -32.606 2.551 1.00 1.55 C ATOM 1459 C SER A 100 59.075 -31.276 1.906 1.00 2.05 C ATOM 1460 O SER A 100 58.471 -30.860 0.915 1.00 74.25 O ATOM 1461 CB SER A 100 57.793 -33.404 1.610 1.00 20.13 C ATOM 1462 OG SER A 100 58.014 -34.797 1.750 1.00 44.42 O ATOM 0 HA SER A 100 59.612 -33.173 2.733 1.00 1.55 H new ATOM 0 HB2 SER A 100 56.749 -33.175 1.824 1.00 20.13 H new ATOM 0 HB3 SER A 100 57.980 -33.105 0.579 1.00 20.13 H new ATOM 0 HG SER A 100 57.423 -35.285 1.140 1.00 44.42 H new ATOM 1468 N CYS A 101 60.074 -30.612 2.475 1.00 24.41 N ATOM 1469 CA CYS A 101 60.531 -29.327 1.957 1.00 65.52 C ATOM 1470 C CYS A 101 61.866 -29.476 1.233 1.00 20.51 C ATOM 1471 O CYS A 101 62.672 -30.344 1.569 1.00 55.32 O ATOM 1472 CB CYS A 101 60.664 -28.313 3.094 1.00 62.33 C ATOM 1473 SG CYS A 101 59.985 -28.880 4.671 1.00 2.14 S ATOM 0 H CYS A 101 60.583 -30.942 3.295 1.00 24.41 H new ATOM 0 HA CYS A 101 59.790 -28.967 1.244 1.00 65.52 H new ATOM 0 HB2 CYS A 101 61.718 -28.072 3.230 1.00 62.33 H new ATOM 0 HB3 CYS A 101 60.161 -27.390 2.805 1.00 62.33 H new ATOM 0 HG CYS A 101 60.641 -29.928 5.074 1.00 2.14 H new ATOM 1479 N HIS A 102 62.092 -28.625 0.239 1.00 3.01 N ATOM 1480 CA HIS A 102 63.329 -28.662 -0.534 1.00 30.11 C ATOM 1481 C HIS A 102 63.552 -27.343 -1.267 1.00 31.51 C ATOM 1482 O HIS A 102 62.703 -26.899 -2.041 1.00 32.14 O ATOM 1483 CB HIS A 102 63.295 -29.817 -1.536 1.00 21.34 C ATOM 1484 CG HIS A 102 62.013 -29.902 -2.306 1.00 14.12 C ATOM 1485 ND1 HIS A 102 60.871 -30.488 -1.803 1.00 1.34 N ATOM 1486 CD2 HIS A 102 61.696 -29.471 -3.549 1.00 54.05 C ATOM 1487 CE1 HIS A 102 59.908 -30.416 -2.704 1.00 4.42 C ATOM 1488 NE2 HIS A 102 60.383 -29.802 -3.773 1.00 74.11 N ATOM 0 H HIS A 102 61.435 -27.901 -0.051 1.00 3.01 H new ATOM 0 HA HIS A 102 64.156 -28.816 0.159 1.00 30.11 H new ATOM 0 HB2 HIS A 102 64.123 -29.705 -2.236 1.00 21.34 H new ATOM 0 HB3 HIS A 102 63.452 -30.755 -1.003 1.00 21.34 H new ATOM 0 HD2 HIS A 102 62.354 -28.961 -4.237 1.00 54.05 H new ATOM 0 HE1 HIS A 102 58.903 -30.795 -2.587 1.00 4.42 H new ATOM 0 HE2 HIS A 102 59.859 -29.606 -4.626 1.00 74.11 H new ATOM 1496 N LEU A 103 64.699 -26.720 -1.018 1.00 52.23 N ATOM 1497 CA LEU A 103 65.034 -25.450 -1.654 1.00 73.15 C ATOM 1498 C LEU A 103 66.546 -25.277 -1.762 1.00 13.33 C ATOM 1499 O LEU A 103 67.297 -25.747 -0.907 1.00 24.05 O ATOM 1500 CB LEU A 103 64.431 -24.287 -0.864 1.00 1.03 C ATOM 1501 CG LEU A 103 64.292 -22.965 -1.618 1.00 65.50 C ATOM 1502 CD1 LEU A 103 65.643 -22.275 -1.740 1.00 61.24 C ATOM 1503 CD2 LEU A 103 63.684 -23.196 -2.994 1.00 23.43 C ATOM 0 H LEU A 103 65.413 -27.073 -0.380 1.00 52.23 H new ATOM 0 HA LEU A 103 64.615 -25.454 -2.660 1.00 73.15 H new ATOM 0 HB2 LEU A 103 63.444 -24.587 -0.511 1.00 1.03 H new ATOM 0 HB3 LEU A 103 65.047 -24.116 0.019 1.00 1.03 H new ATOM 0 HG LEU A 103 63.624 -22.315 -1.052 1.00 65.50 H new ATOM 0 HD11 LEU A 103 65.524 -21.335 -2.280 1.00 61.24 H new ATOM 0 HD12 LEU A 103 66.040 -22.074 -0.745 1.00 61.24 H new ATOM 0 HD13 LEU A 103 66.334 -22.920 -2.283 1.00 61.24 H new ATOM 0 HD21 LEU A 103 63.593 -22.243 -3.516 1.00 23.43 H new ATOM 0 HD22 LEU A 103 64.326 -23.864 -3.568 1.00 23.43 H new ATOM 0 HD23 LEU A 103 62.697 -23.646 -2.885 1.00 23.43 H new ATOM 1515 N TRP A 104 66.984 -24.600 -2.816 1.00 51.55 N ATOM 1516 CA TRP A 104 68.407 -24.364 -3.035 1.00 22.54 C ATOM 1517 C TRP A 104 68.992 -23.498 -1.924 1.00 12.03 C ATOM 1518 O TRP A 104 68.590 -22.347 -1.744 1.00 35.42 O ATOM 1519 CB TRP A 104 68.630 -23.694 -4.392 1.00 61.54 C ATOM 1520 CG TRP A 104 67.733 -22.517 -4.629 1.00 74.21 C ATOM 1521 CD1 TRP A 104 67.968 -21.221 -4.268 1.00 54.34 C ATOM 1522 CD2 TRP A 104 66.457 -22.531 -5.278 1.00 64.32 C ATOM 1523 NE1 TRP A 104 66.915 -20.428 -4.653 1.00 44.30 N ATOM 1524 CE2 TRP A 104 65.975 -21.206 -5.276 1.00 51.42 C ATOM 1525 CE3 TRP A 104 65.676 -23.531 -5.863 1.00 24.31 C ATOM 1526 CZ2 TRP A 104 64.747 -20.861 -5.835 1.00 70.53 C ATOM 1527 CZ3 TRP A 104 64.457 -23.186 -6.417 1.00 21.20 C ATOM 1528 CH2 TRP A 104 64.004 -21.860 -6.400 1.00 10.01 C ATOM 0 H TRP A 104 66.375 -24.205 -3.533 1.00 51.55 H new ATOM 0 HA TRP A 104 68.916 -25.328 -3.025 1.00 22.54 H new ATOM 0 HB2 TRP A 104 69.668 -23.370 -4.463 1.00 61.54 H new ATOM 0 HB3 TRP A 104 68.470 -24.428 -5.182 1.00 61.54 H new ATOM 0 HD1 TRP A 104 68.852 -20.871 -3.755 1.00 54.34 H new ATOM 0 HE1 TRP A 104 66.844 -19.422 -4.500 1.00 44.30 H new ATOM 0 HE3 TRP A 104 66.018 -24.555 -5.882 1.00 24.31 H new ATOM 0 HZ2 TRP A 104 64.394 -19.840 -5.823 1.00 70.53 H new ATOM 0 HZ3 TRP A 104 63.844 -23.951 -6.870 1.00 21.20 H new ATOM 0 HH2 TRP A 104 63.048 -21.622 -6.842 1.00 10.01 H new ATOM 1539 N LEU A 105 69.940 -24.056 -1.182 1.00 71.44 N ATOM 1540 CA LEU A 105 70.581 -23.335 -0.088 1.00 30.14 C ATOM 1541 C LEU A 105 71.867 -22.663 -0.558 1.00 24.24 C ATOM 1542 O LEU A 105 72.410 -23.005 -1.608 1.00 21.51 O ATOM 1543 CB LEU A 105 70.884 -24.288 1.070 1.00 50.12 C ATOM 1544 CG LEU A 105 71.041 -25.763 0.701 1.00 11.34 C ATOM 1545 CD1 LEU A 105 72.240 -25.961 -0.212 1.00 51.43 C ATOM 1546 CD2 LEU A 105 71.177 -26.615 1.955 1.00 13.32 C ATOM 0 H LEU A 105 70.283 -25.007 -1.318 1.00 71.44 H new ATOM 0 HA LEU A 105 69.894 -22.562 0.256 1.00 30.14 H new ATOM 0 HB2 LEU A 105 71.801 -23.956 1.557 1.00 50.12 H new ATOM 0 HB3 LEU A 105 70.084 -24.201 1.805 1.00 50.12 H new ATOM 0 HG LEU A 105 70.146 -26.080 0.165 1.00 11.34 H new ATOM 0 HD11 LEU A 105 72.335 -27.017 -0.464 1.00 51.43 H new ATOM 0 HD12 LEU A 105 72.102 -25.382 -1.125 1.00 51.43 H new ATOM 0 HD13 LEU A 105 73.144 -25.626 0.297 1.00 51.43 H new ATOM 0 HD21 LEU A 105 71.288 -27.662 1.673 1.00 13.32 H new ATOM 0 HD22 LEU A 105 72.054 -26.296 2.518 1.00 13.32 H new ATOM 0 HD23 LEU A 105 70.287 -26.498 2.573 1.00 13.32 H new ATOM 1558 N GLY A 106 72.349 -21.705 0.228 1.00 61.33 N ATOM 1559 CA GLY A 106 73.570 -21.001 -0.124 1.00 51.43 C ATOM 1560 C GLY A 106 74.810 -21.688 0.412 1.00 0.03 C ATOM 1561 O GLY A 106 74.732 -22.484 1.348 1.00 42.24 O ATOM 0 H GLY A 106 71.917 -21.404 1.101 1.00 61.33 H new ATOM 0 HA2 GLY A 106 73.641 -20.924 -1.209 1.00 51.43 H new ATOM 0 HA3 GLY A 106 73.525 -19.984 0.266 1.00 51.43 H new ATOM 1565 N ARG A 107 75.958 -21.381 -0.183 1.00 62.13 N ATOM 1566 CA ARG A 107 77.220 -21.976 0.238 1.00 61.52 C ATOM 1567 C ARG A 107 77.600 -21.510 1.641 1.00 74.10 C ATOM 1568 O ARG A 107 77.148 -20.462 2.102 1.00 51.43 O ATOM 1569 CB ARG A 107 78.333 -21.617 -0.748 1.00 52.34 C ATOM 1570 CG ARG A 107 78.931 -20.240 -0.516 1.00 5.34 C ATOM 1571 CD ARG A 107 79.212 -19.527 -1.830 1.00 21.31 C ATOM 1572 NE ARG A 107 78.065 -18.748 -2.287 1.00 13.22 N ATOM 1573 CZ ARG A 107 77.915 -18.324 -3.537 1.00 52.32 C ATOM 1574 NH1 ARG A 107 78.835 -18.603 -4.450 1.00 74.13 N ATOM 1575 NH2 ARG A 107 76.842 -17.621 -3.877 1.00 34.32 N ATOM 0 H ARG A 107 76.040 -20.723 -0.958 1.00 62.13 H new ATOM 0 HA ARG A 107 77.094 -23.059 0.254 1.00 61.52 H new ATOM 0 HB2 ARG A 107 79.124 -22.364 -0.678 1.00 52.34 H new ATOM 0 HB3 ARG A 107 77.938 -21.666 -1.763 1.00 52.34 H new ATOM 0 HG2 ARG A 107 78.247 -19.641 0.085 1.00 5.34 H new ATOM 0 HG3 ARG A 107 79.856 -20.335 0.053 1.00 5.34 H new ATOM 0 HD2 ARG A 107 80.072 -18.868 -1.708 1.00 21.31 H new ATOM 0 HD3 ARG A 107 79.478 -20.261 -2.591 1.00 21.31 H new ATOM 0 HE ARG A 107 77.339 -18.517 -1.609 1.00 13.22 H new ATOM 0 HH11 ARG A 107 79.660 -19.144 -4.193 1.00 74.13 H new ATOM 0 HH12 ARG A 107 78.717 -18.276 -5.409 1.00 74.13 H new ATOM 0 HH21 ARG A 107 76.131 -17.405 -3.178 1.00 34.32 H new ATOM 0 HH22 ARG A 107 76.728 -17.296 -4.837 1.00 34.32 H new ATOM 1589 N GLY A 108 78.433 -22.297 2.315 1.00 33.03 N ATOM 1590 CA GLY A 108 78.858 -21.949 3.659 1.00 42.40 C ATOM 1591 C GLY A 108 79.930 -22.881 4.187 1.00 33.35 C ATOM 1592 O GLY A 108 79.670 -24.057 4.442 1.00 32.33 O ATOM 0 H GLY A 108 78.821 -23.169 1.955 1.00 33.03 H new ATOM 0 HA2 GLY A 108 79.235 -20.926 3.664 1.00 42.40 H new ATOM 0 HA3 GLY A 108 77.997 -21.975 4.327 1.00 42.40 H new ATOM 1596 N VAL A 109 81.141 -22.356 4.350 1.00 11.34 N ATOM 1597 CA VAL A 109 82.257 -23.149 4.851 1.00 52.32 C ATOM 1598 C VAL A 109 82.288 -23.154 6.376 1.00 42.44 C ATOM 1599 O VAL A 109 82.149 -22.118 7.027 1.00 12.50 O ATOM 1600 CB VAL A 109 83.603 -22.620 4.323 1.00 64.24 C ATOM 1601 CG1 VAL A 109 83.797 -21.164 4.720 1.00 64.44 C ATOM 1602 CG2 VAL A 109 84.751 -23.477 4.834 1.00 31.11 C ATOM 0 H VAL A 109 81.374 -21.385 4.142 1.00 11.34 H new ATOM 0 HA VAL A 109 82.108 -24.167 4.491 1.00 52.32 H new ATOM 0 HB VAL A 109 83.594 -22.678 3.235 1.00 64.24 H new ATOM 0 HG11 VAL A 109 84.754 -20.807 4.338 1.00 64.44 H new ATOM 0 HG12 VAL A 109 82.991 -20.562 4.300 1.00 64.44 H new ATOM 0 HG13 VAL A 109 83.785 -21.078 5.807 1.00 64.44 H new ATOM 0 HG21 VAL A 109 85.694 -23.088 4.450 1.00 31.11 H new ATOM 0 HG22 VAL A 109 84.765 -23.454 5.924 1.00 31.11 H new ATOM 0 HG23 VAL A 109 84.617 -24.504 4.495 1.00 31.11 H new ATOM 1612 N PRO A 110 82.475 -24.347 6.959 1.00 21.04 N ATOM 1613 CA PRO A 110 82.529 -24.516 8.414 1.00 32.04 C ATOM 1614 C PRO A 110 83.790 -23.911 9.021 1.00 21.42 C ATOM 1615 O PRO A 110 84.739 -23.560 8.319 1.00 25.33 O ATOM 1616 CB PRO A 110 82.524 -26.036 8.596 1.00 2.21 C ATOM 1617 CG PRO A 110 83.088 -26.571 7.325 1.00 64.35 C ATOM 1618 CD PRO A 110 82.647 -25.622 6.244 1.00 72.32 C ATOM 0 HA PRO A 110 81.702 -24.011 8.914 1.00 32.04 H new ATOM 0 HB2 PRO A 110 83.127 -26.334 9.453 1.00 2.21 H new ATOM 0 HB3 PRO A 110 81.515 -26.411 8.770 1.00 2.21 H new ATOM 0 HG2 PRO A 110 84.175 -26.628 7.374 1.00 64.35 H new ATOM 0 HG3 PRO A 110 82.724 -27.580 7.131 1.00 64.35 H new ATOM 0 HD2 PRO A 110 83.391 -25.541 5.452 1.00 72.32 H new ATOM 0 HD3 PRO A 110 81.718 -25.949 5.776 1.00 72.32 H new