USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 309 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 43 GLN : amide:sc= -3.45! C(o=-8!,f=-11!) USER MOD Set 1.2: A 61 CYS SG : rot 119:sc= -1.15 USER MOD Set 1.3: A 64 CYS SG : rot -53:sc= -0.0334 USER MOD Set 1.4: A 69 HIS : no HD1:sc= -2.12 K(o=-8,f=-9.2) USER MOD Set 1.5: A 73 CYS SG : rot -76:sc= -1.22! USER MOD Set 2.1: A 28 CYS SG : rot 100:sc= 0.241 USER MOD Set 2.2: A 33 CYS SG : rot 165:sc= 0.221 USER MOD Set 2.3: A 48 CYS SG : rot 12:sc= -3.31! USER MOD Set 2.4: A 56 CYS SG : rot 146:sc= 0.835 USER MOD Single : A 23 MET CE :methyl -124:sc= -8.89! (180deg=-17.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.237) USER MOD Single : A 68 TYR OH : rot -132:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -30.517 49.593 -28.366 1.00 44.12 N ATOM 342 CA MET A 23 -31.606 50.542 -28.565 1.00 2.10 C ATOM 343 C MET A 23 -31.075 51.878 -29.077 1.00 62.42 C ATOM 344 O MET A 23 -31.848 52.781 -29.399 1.00 12.04 O ATOM 345 CB MET A 23 -32.372 50.752 -27.258 1.00 74.14 C ATOM 346 CG MET A 23 -33.581 51.664 -27.401 1.00 25.22 C ATOM 347 SD MET A 23 -33.193 53.389 -27.047 1.00 40.23 S ATOM 348 CE MET A 23 -33.840 54.190 -28.513 1.00 24.34 C ATOM 0 HA MET A 23 -32.283 50.129 -29.313 1.00 2.10 H new ATOM 0 HB2 MET A 23 -32.700 49.784 -26.879 1.00 74.14 H new ATOM 0 HB3 MET A 23 -31.696 51.173 -26.514 1.00 74.14 H new ATOM 0 HG2 MET A 23 -33.974 51.584 -28.415 1.00 25.22 H new ATOM 0 HG3 MET A 23 -34.368 51.327 -26.727 1.00 25.22 H new ATOM 0 HE1 MET A 23 -33.050 54.772 -28.988 1.00 24.34 H new ATOM 0 HE2 MET A 23 -34.204 53.435 -29.210 1.00 24.34 H new ATOM 0 HE3 MET A 23 -34.660 54.852 -28.234 1.00 24.34 H new ATOM 358 N GLY A 24 -29.753 51.997 -29.151 1.00 33.44 N ATOM 359 CA GLY A 24 -29.145 53.225 -29.624 1.00 12.33 C ATOM 360 C GLY A 24 -30.012 53.952 -30.631 1.00 32.02 C ATOM 361 O GLY A 24 -30.371 53.396 -31.668 1.00 54.20 O ATOM 0 H GLY A 24 -29.093 51.264 -28.892 1.00 33.44 H new ATOM 0 HA2 GLY A 24 -28.952 53.881 -28.775 1.00 12.33 H new ATOM 0 HA3 GLY A 24 -28.180 52.998 -30.077 1.00 12.33 H new ATOM 365 N GLY A 25 -30.352 55.201 -30.326 1.00 2.35 N ATOM 366 CA GLY A 25 -31.183 55.985 -31.222 1.00 25.55 C ATOM 367 C GLY A 25 -32.476 56.433 -30.571 1.00 32.34 C ATOM 368 O GLY A 25 -33.558 56.232 -31.121 1.00 32.21 O ATOM 0 H GLY A 25 -30.067 55.684 -29.474 1.00 2.35 H new ATOM 0 HA2 GLY A 25 -30.626 56.860 -31.556 1.00 25.55 H new ATOM 0 HA3 GLY A 25 -31.412 55.395 -32.109 1.00 25.55 H new ATOM 372 N VAL A 26 -32.363 57.041 -29.394 1.00 72.43 N ATOM 373 CA VAL A 26 -33.533 57.518 -28.665 1.00 64.35 C ATOM 374 C VAL A 26 -33.626 59.039 -28.711 1.00 15.45 C ATOM 375 O VAL A 26 -32.608 59.732 -28.762 1.00 73.11 O ATOM 376 CB VAL A 26 -33.505 57.059 -27.196 1.00 72.13 C ATOM 377 CG1 VAL A 26 -32.556 57.928 -26.383 1.00 44.13 C ATOM 378 CG2 VAL A 26 -34.907 57.087 -26.603 1.00 22.25 C ATOM 0 H VAL A 26 -31.474 57.215 -28.925 1.00 72.43 H new ATOM 0 HA VAL A 26 -34.408 57.089 -29.154 1.00 64.35 H new ATOM 0 HB VAL A 26 -33.140 56.033 -27.160 1.00 72.13 H new ATOM 0 HG11 VAL A 26 -32.549 57.589 -25.347 1.00 44.13 H new ATOM 0 HG12 VAL A 26 -31.550 57.853 -26.796 1.00 44.13 H new ATOM 0 HG13 VAL A 26 -32.888 58.965 -26.423 1.00 44.13 H new ATOM 0 HG21 VAL A 26 -34.869 56.760 -25.564 1.00 22.25 H new ATOM 0 HG22 VAL A 26 -35.302 58.102 -26.650 1.00 22.25 H new ATOM 0 HG23 VAL A 26 -35.555 56.419 -27.170 1.00 22.25 H new ATOM 388 N LEU A 27 -34.850 59.553 -28.691 1.00 42.13 N ATOM 389 CA LEU A 27 -35.076 60.993 -28.731 1.00 74.23 C ATOM 390 C LEU A 27 -36.295 61.376 -27.898 1.00 74.35 C ATOM 391 O LEU A 27 -37.219 60.572 -27.777 1.00 24.35 O ATOM 392 CB LEU A 27 -35.263 61.462 -30.173 1.00 40.31 C ATOM 393 CG LEU A 27 -36.138 60.575 -31.060 1.00 71.03 C ATOM 394 CD1 LEU A 27 -37.588 61.033 -31.007 1.00 73.24 C ATOM 395 CD2 LEU A 27 -35.628 60.581 -32.493 1.00 21.50 C ATOM 0 H LEU A 27 -35.702 58.994 -28.647 1.00 42.13 H new ATOM 0 HA LEU A 27 -34.200 61.484 -28.308 1.00 74.23 H new ATOM 0 HB2 LEU A 27 -35.695 62.462 -30.155 1.00 40.31 H new ATOM 0 HB3 LEU A 27 -34.280 61.548 -30.636 1.00 40.31 H new ATOM 0 HG LEU A 27 -36.085 59.554 -30.682 1.00 71.03 H new ATOM 0 HD11 LEU A 27 -38.196 60.391 -31.644 1.00 73.24 H new ATOM 0 HD12 LEU A 27 -37.951 60.975 -29.981 1.00 73.24 H new ATOM 0 HD13 LEU A 27 -37.657 62.063 -31.358 1.00 73.24 H new ATOM 0 HD21 LEU A 27 -36.264 59.944 -33.108 1.00 21.50 H new ATOM 0 HD22 LEU A 27 -35.649 61.599 -32.882 1.00 21.50 H new ATOM 0 HD23 LEU A 27 -34.605 60.204 -32.517 1.00 21.50 H new ATOM 407 N CYS A 28 -36.273 62.581 -27.347 1.00 22.12 N ATOM 408 CA CYS A 28 -37.382 63.053 -26.535 1.00 21.34 C ATOM 409 C CYS A 28 -38.597 63.243 -27.445 1.00 53.32 C ATOM 410 O CYS A 28 -38.589 63.994 -28.419 1.00 75.33 O ATOM 411 CB CYS A 28 -37.026 64.336 -25.783 1.00 0.42 C ATOM 412 SG CYS A 28 -37.538 64.200 -24.031 1.00 23.11 S ATOM 0 H CYS A 28 -35.505 63.245 -27.447 1.00 22.12 H new ATOM 0 HA CYS A 28 -37.616 62.314 -25.769 1.00 21.34 H new ATOM 0 HB2 CYS A 28 -35.953 64.516 -25.843 1.00 0.42 H new ATOM 0 HB3 CYS A 28 -37.519 65.189 -26.249 1.00 0.42 H new ATOM 0 HG CYS A 28 -36.506 63.898 -23.300 1.00 23.11 H new ATOM 417 N PRO A 29 -39.678 62.527 -27.101 1.00 54.34 N ATOM 418 CA PRO A 29 -40.935 62.581 -27.855 1.00 12.25 C ATOM 419 C PRO A 29 -41.649 63.919 -27.697 1.00 14.14 C ATOM 420 O PRO A 29 -42.491 64.285 -28.516 1.00 51.04 O ATOM 421 CB PRO A 29 -41.767 61.455 -27.238 1.00 60.44 C ATOM 422 CG PRO A 29 -41.226 61.294 -25.860 1.00 13.10 C ATOM 423 CD PRO A 29 -39.759 61.610 -25.952 1.00 22.13 C ATOM 0 HA PRO A 29 -40.772 62.471 -28.927 1.00 12.25 H new ATOM 0 HB2 PRO A 29 -42.827 61.710 -27.220 1.00 60.44 H new ATOM 0 HB3 PRO A 29 -41.671 60.533 -27.811 1.00 60.44 H new ATOM 0 HG2 PRO A 29 -41.727 61.966 -25.163 1.00 13.10 H new ATOM 0 HG3 PRO A 29 -41.385 60.279 -25.494 1.00 13.10 H new ATOM 0 HD2 PRO A 29 -39.391 62.077 -25.039 1.00 22.13 H new ATOM 0 HD3 PRO A 29 -39.164 60.711 -26.113 1.00 22.13 H new ATOM 431 N ARG A 30 -41.307 64.645 -26.637 1.00 44.25 N ATOM 432 CA ARG A 30 -41.917 65.942 -26.372 1.00 32.03 C ATOM 433 C ARG A 30 -41.828 66.846 -27.597 1.00 43.23 C ATOM 434 O ARG A 30 -40.808 66.905 -28.284 1.00 22.21 O ATOM 435 CB ARG A 30 -41.235 66.615 -25.179 1.00 13.44 C ATOM 436 CG ARG A 30 -41.818 66.209 -23.835 1.00 24.10 C ATOM 437 CD ARG A 30 -41.324 64.835 -23.408 1.00 44.12 C ATOM 438 NE ARG A 30 -41.703 64.521 -22.032 1.00 25.13 N ATOM 439 CZ ARG A 30 -41.820 63.283 -21.567 1.00 12.20 C ATOM 440 NH1 ARG A 30 -41.591 62.247 -22.362 1.00 11.12 N ATOM 441 NH2 ARG A 30 -42.169 63.078 -20.303 1.00 63.11 N ATOM 0 H ARG A 30 -40.611 64.357 -25.949 1.00 44.25 H new ATOM 0 HA ARG A 30 -42.969 65.779 -26.138 1.00 32.03 H new ATOM 0 HB2 ARG A 30 -40.173 66.371 -25.193 1.00 13.44 H new ATOM 0 HB3 ARG A 30 -41.315 67.697 -25.288 1.00 13.44 H new ATOM 0 HG2 ARG A 30 -41.544 66.946 -23.080 1.00 24.10 H new ATOM 0 HG3 ARG A 30 -42.906 66.203 -23.895 1.00 24.10 H new ATOM 0 HD2 ARG A 30 -41.732 64.078 -24.078 1.00 44.12 H new ATOM 0 HD3 ARG A 30 -40.239 64.794 -23.504 1.00 44.12 H new ATOM 0 HE ARG A 30 -41.888 65.295 -21.394 1.00 25.13 H new ATOM 0 HH11 ARG A 30 -41.324 62.400 -23.334 1.00 11.12 H new ATOM 0 HH12 ARG A 30 -41.682 61.297 -22.001 1.00 11.12 H new ATOM 0 HH21 ARG A 30 -42.348 63.872 -19.688 1.00 63.11 H new ATOM 0 HH22 ARG A 30 -42.259 62.127 -19.947 1.00 63.11 H new ATOM 455 N PRO A 31 -42.922 67.568 -27.881 1.00 41.05 N ATOM 456 CA PRO A 31 -42.994 68.482 -29.025 1.00 61.41 C ATOM 457 C PRO A 31 -42.111 69.712 -28.840 1.00 3.21 C ATOM 458 O PRO A 31 -42.583 70.773 -28.436 1.00 43.12 O ATOM 459 CB PRO A 31 -44.469 68.886 -29.066 1.00 70.22 C ATOM 460 CG PRO A 31 -44.949 68.709 -27.667 1.00 42.30 C ATOM 461 CD PRO A 31 -44.174 67.548 -27.106 1.00 42.53 C ATOM 0 HA PRO A 31 -42.641 68.013 -29.943 1.00 61.41 H new ATOM 0 HB2 PRO A 31 -44.588 69.917 -29.398 1.00 70.22 H new ATOM 0 HB3 PRO A 31 -45.032 68.261 -29.760 1.00 70.22 H new ATOM 0 HG2 PRO A 31 -44.780 69.611 -27.079 1.00 42.30 H new ATOM 0 HG3 PRO A 31 -46.020 68.510 -27.644 1.00 42.30 H new ATOM 0 HD2 PRO A 31 -43.988 67.667 -26.039 1.00 42.53 H new ATOM 0 HD3 PRO A 31 -44.710 66.608 -27.233 1.00 42.53 H new ATOM 469 N GLY A 32 -40.824 69.560 -29.140 1.00 40.32 N ATOM 470 CA GLY A 32 -39.895 70.668 -29.002 1.00 62.21 C ATOM 471 C GLY A 32 -38.557 70.234 -28.436 1.00 13.02 C ATOM 472 O GLY A 32 -37.525 70.668 -28.943 1.00 12.04 O ATOM 0 H GLY A 32 -40.408 68.691 -29.476 1.00 40.32 H new ATOM 0 HA2 GLY A 32 -39.741 71.133 -29.976 1.00 62.21 H new ATOM 0 HA3 GLY A 32 -40.332 71.426 -28.353 1.00 62.21 H new ATOM 476 N CYS A 33 -38.595 69.398 -27.409 1.00 54.11 N ATOM 477 CA CYS A 33 -37.373 68.920 -26.788 1.00 70.21 C ATOM 478 C CYS A 33 -36.578 68.135 -27.834 1.00 35.23 C ATOM 479 O CYS A 33 -35.520 68.553 -28.299 1.00 10.15 O ATOM 480 CB CYS A 33 -37.662 68.079 -25.543 1.00 14.23 C ATOM 481 SG CYS A 33 -36.096 67.649 -24.700 1.00 31.01 S ATOM 0 H CYS A 33 -39.454 69.040 -26.992 1.00 54.11 H new ATOM 0 HA CYS A 33 -36.782 69.768 -26.444 1.00 70.21 H new ATOM 0 HB2 CYS A 33 -38.310 68.632 -24.863 1.00 14.23 H new ATOM 0 HB3 CYS A 33 -38.195 67.170 -25.824 1.00 14.23 H new ATOM 0 HG CYS A 33 -36.352 67.226 -23.498 1.00 31.01 H new ATOM 486 N GLY A 34 -37.119 66.974 -28.195 1.00 5.43 N ATOM 487 CA GLY A 34 -36.468 66.128 -29.180 1.00 33.41 C ATOM 488 C GLY A 34 -35.284 65.376 -28.606 1.00 71.33 C ATOM 489 O GLY A 34 -35.105 64.189 -28.875 1.00 44.15 O ATOM 0 H GLY A 34 -37.994 66.605 -27.824 1.00 5.43 H new ATOM 0 HA2 GLY A 34 -37.191 65.414 -29.576 1.00 33.41 H new ATOM 0 HA3 GLY A 34 -36.134 66.741 -30.017 1.00 33.41 H new ATOM 493 N ALA A 35 -34.472 66.069 -27.813 1.00 62.22 N ATOM 494 CA ALA A 35 -33.299 65.459 -27.200 1.00 65.21 C ATOM 495 C ALA A 35 -32.754 64.328 -28.065 1.00 31.55 C ATOM 496 O ALA A 35 -32.407 63.259 -27.561 1.00 52.44 O ATOM 497 CB ALA A 35 -33.638 64.945 -25.808 1.00 12.44 C ATOM 0 H ALA A 35 -34.606 67.053 -27.581 1.00 62.22 H new ATOM 0 HA ALA A 35 -32.525 66.222 -27.115 1.00 65.21 H new ATOM 0 HB1 ALA A 35 -32.753 64.492 -25.362 1.00 12.44 H new ATOM 0 HB2 ALA A 35 -33.974 65.774 -25.186 1.00 12.44 H new ATOM 0 HB3 ALA A 35 -34.431 64.200 -25.878 1.00 12.44 H new ATOM 503 N GLY A 36 -32.681 64.568 -29.371 1.00 4.21 N ATOM 504 CA GLY A 36 -32.177 63.560 -30.284 1.00 23.52 C ATOM 505 C GLY A 36 -30.690 63.323 -30.122 1.00 23.44 C ATOM 506 O GLY A 36 -29.903 63.638 -31.015 1.00 23.13 O ATOM 0 H GLY A 36 -32.962 65.443 -29.813 1.00 4.21 H new ATOM 0 HA2 GLY A 36 -32.711 62.624 -30.118 1.00 23.52 H new ATOM 0 HA3 GLY A 36 -32.383 63.867 -31.309 1.00 23.52 H new ATOM 510 N LEU A 37 -30.302 62.766 -28.980 1.00 4.45 N ATOM 511 CA LEU A 37 -28.897 62.487 -28.704 1.00 21.15 C ATOM 512 C LEU A 37 -28.657 60.989 -28.555 1.00 32.42 C ATOM 513 O LEU A 37 -29.597 60.215 -28.365 1.00 31.12 O ATOM 514 CB LEU A 37 -28.453 63.215 -27.432 1.00 5.52 C ATOM 515 CG LEU A 37 -29.502 63.334 -26.327 1.00 32.42 C ATOM 516 CD1 LEU A 37 -29.771 61.976 -25.697 1.00 0.34 C ATOM 517 CD2 LEU A 37 -29.052 64.334 -25.271 1.00 43.22 C ATOM 0 H LEU A 37 -30.940 62.499 -28.231 1.00 4.45 H new ATOM 0 HA LEU A 37 -28.308 62.848 -29.548 1.00 21.15 H new ATOM 0 HB2 LEU A 37 -27.584 62.698 -27.026 1.00 5.52 H new ATOM 0 HB3 LEU A 37 -28.128 64.219 -27.706 1.00 5.52 H new ATOM 0 HG LEU A 37 -30.430 63.696 -26.770 1.00 32.42 H new ATOM 0 HD11 LEU A 37 -30.520 62.081 -24.912 1.00 0.34 H new ATOM 0 HD12 LEU A 37 -30.137 61.288 -26.459 1.00 0.34 H new ATOM 0 HD13 LEU A 37 -28.849 61.585 -25.268 1.00 0.34 H new ATOM 0 HD21 LEU A 37 -29.811 64.406 -24.492 1.00 43.22 H new ATOM 0 HD22 LEU A 37 -28.112 64.001 -24.832 1.00 43.22 H new ATOM 0 HD23 LEU A 37 -28.911 65.312 -25.732 1.00 43.22 H new ATOM 529 N LEU A 38 -27.394 60.585 -28.638 1.00 53.23 N ATOM 530 CA LEU A 38 -27.031 59.177 -28.510 1.00 43.31 C ATOM 531 C LEU A 38 -26.693 58.832 -27.064 1.00 11.52 C ATOM 532 O LEU A 38 -25.719 59.327 -26.494 1.00 71.41 O ATOM 533 CB LEU A 38 -25.841 58.855 -29.416 1.00 62.32 C ATOM 534 CG LEU A 38 -25.827 57.453 -30.029 1.00 3.54 C ATOM 535 CD1 LEU A 38 -25.760 56.394 -28.941 1.00 53.23 C ATOM 536 CD2 LEU A 38 -27.052 57.242 -30.907 1.00 10.12 C ATOM 0 H LEU A 38 -26.604 61.212 -28.793 1.00 53.23 H new ATOM 0 HA LEU A 38 -27.887 58.575 -28.816 1.00 43.31 H new ATOM 0 HB2 LEU A 38 -25.818 59.585 -30.226 1.00 62.32 H new ATOM 0 HB3 LEU A 38 -24.925 58.988 -28.841 1.00 62.32 H new ATOM 0 HG LEU A 38 -24.938 57.360 -30.652 1.00 3.54 H new ATOM 0 HD11 LEU A 38 -25.751 55.404 -29.397 1.00 53.23 H new ATOM 0 HD12 LEU A 38 -24.852 56.532 -28.355 1.00 53.23 H new ATOM 0 HD13 LEU A 38 -26.629 56.486 -28.290 1.00 53.23 H new ATOM 0 HD21 LEU A 38 -27.025 56.240 -31.334 1.00 10.12 H new ATOM 0 HD22 LEU A 38 -27.954 57.356 -30.306 1.00 10.12 H new ATOM 0 HD23 LEU A 38 -27.055 57.979 -31.710 1.00 10.12 H new ATOM 548 N PRO A 39 -27.512 57.962 -26.456 1.00 15.35 N ATOM 549 CA PRO A 39 -27.318 57.528 -25.069 1.00 54.23 C ATOM 550 C PRO A 39 -26.091 56.638 -24.906 1.00 42.31 C ATOM 551 O PRO A 39 -25.722 55.902 -25.821 1.00 20.22 O ATOM 552 CB PRO A 39 -28.595 56.743 -24.761 1.00 44.11 C ATOM 553 CG PRO A 39 -29.076 56.267 -26.088 1.00 64.11 C ATOM 554 CD PRO A 39 -28.692 57.334 -27.075 1.00 1.55 C ATOM 0 HA PRO A 39 -27.148 58.370 -24.398 1.00 54.23 H new ATOM 0 HB2 PRO A 39 -28.394 55.908 -24.090 1.00 44.11 H new ATOM 0 HB3 PRO A 39 -29.339 57.373 -24.273 1.00 44.11 H new ATOM 0 HG2 PRO A 39 -28.620 55.312 -26.349 1.00 64.11 H new ATOM 0 HG3 PRO A 39 -30.155 56.113 -26.080 1.00 64.11 H new ATOM 0 HD2 PRO A 39 -28.457 56.912 -28.052 1.00 1.55 H new ATOM 0 HD3 PRO A 39 -29.498 58.053 -27.224 1.00 1.55 H new ATOM 562 N GLU A 40 -25.465 56.709 -23.736 1.00 1.14 N ATOM 563 CA GLU A 40 -24.279 55.907 -23.455 1.00 11.12 C ATOM 564 C GLU A 40 -24.551 54.427 -23.704 1.00 61.44 C ATOM 565 O GLU A 40 -25.697 53.993 -23.829 1.00 34.34 O ATOM 566 CB GLU A 40 -23.825 56.119 -22.010 1.00 33.20 C ATOM 567 CG GLU A 40 -22.674 57.101 -21.870 1.00 4.24 C ATOM 568 CD GLU A 40 -22.090 57.119 -20.471 1.00 14.15 C ATOM 569 OE1 GLU A 40 -22.873 57.184 -19.501 1.00 12.41 O ATOM 570 OE2 GLU A 40 -20.848 57.068 -20.347 1.00 20.33 O ATOM 0 H GLU A 40 -25.758 57.313 -22.968 1.00 1.14 H new ATOM 0 HA GLU A 40 -23.485 56.230 -24.129 1.00 11.12 H new ATOM 0 HB2 GLU A 40 -24.670 56.477 -21.422 1.00 33.20 H new ATOM 0 HB3 GLU A 40 -23.526 55.160 -21.588 1.00 33.20 H new ATOM 0 HG2 GLU A 40 -21.891 56.842 -22.583 1.00 4.24 H new ATOM 0 HG3 GLU A 40 -23.021 58.102 -22.128 1.00 4.24 H new ATOM 577 N PRO A 41 -23.474 53.632 -23.778 1.00 31.12 N ATOM 578 CA PRO A 41 -23.571 52.188 -24.013 1.00 12.14 C ATOM 579 C PRO A 41 -24.157 51.445 -22.818 1.00 20.13 C ATOM 580 O PRO A 41 -24.295 50.222 -22.842 1.00 62.23 O ATOM 581 CB PRO A 41 -22.117 51.768 -24.241 1.00 3.42 C ATOM 582 CG PRO A 41 -21.308 52.795 -23.526 1.00 25.22 C ATOM 583 CD PRO A 41 -22.079 54.081 -23.639 1.00 11.13 C ATOM 0 HA PRO A 41 -24.233 51.954 -24.847 1.00 12.14 H new ATOM 0 HB2 PRO A 41 -21.927 50.770 -23.847 1.00 3.42 H new ATOM 0 HB3 PRO A 41 -21.874 51.742 -25.303 1.00 3.42 H new ATOM 0 HG2 PRO A 41 -21.161 52.519 -22.482 1.00 25.22 H new ATOM 0 HG3 PRO A 41 -20.318 52.893 -23.972 1.00 25.22 H new ATOM 0 HD2 PRO A 41 -21.945 54.709 -22.758 1.00 11.13 H new ATOM 0 HD3 PRO A 41 -21.758 54.667 -24.500 1.00 11.13 H new ATOM 591 N ASP A 42 -24.501 52.190 -21.774 1.00 73.21 N ATOM 592 CA ASP A 42 -25.074 51.601 -20.569 1.00 54.20 C ATOM 593 C ASP A 42 -26.247 52.435 -20.063 1.00 40.44 C ATOM 594 O ASP A 42 -26.079 53.594 -19.684 1.00 41.35 O ATOM 595 CB ASP A 42 -24.010 51.481 -19.478 1.00 0.13 C ATOM 596 CG ASP A 42 -22.780 50.730 -19.949 1.00 33.23 C ATOM 597 OD1 ASP A 42 -22.933 49.596 -20.451 1.00 1.24 O ATOM 598 OD2 ASP A 42 -21.665 51.276 -19.817 1.00 63.20 O ATOM 0 H ASP A 42 -24.393 53.204 -21.737 1.00 73.21 H new ATOM 0 HA ASP A 42 -25.440 50.605 -20.819 1.00 54.20 H new ATOM 0 HB2 ASP A 42 -23.719 52.478 -19.147 1.00 0.13 H new ATOM 0 HB3 ASP A 42 -24.435 50.970 -18.614 1.00 0.13 H new ATOM 603 N GLN A 43 -27.435 51.837 -20.059 1.00 42.20 N ATOM 604 CA GLN A 43 -28.635 52.524 -19.601 1.00 44.25 C ATOM 605 C GLN A 43 -28.523 52.890 -18.125 1.00 14.35 C ATOM 606 O GLN A 43 -29.375 53.595 -17.583 1.00 60.01 O ATOM 607 CB GLN A 43 -29.870 51.650 -19.829 1.00 3.25 C ATOM 608 CG GLN A 43 -29.716 50.232 -19.303 1.00 4.35 C ATOM 609 CD GLN A 43 -30.464 50.008 -18.004 1.00 72.53 C ATOM 610 OE1 GLN A 43 -31.520 49.376 -17.983 1.00 21.23 O ATOM 611 NE2 GLN A 43 -29.920 50.528 -16.909 1.00 71.12 N ATOM 0 H GLN A 43 -27.591 50.878 -20.368 1.00 42.20 H new ATOM 0 HA GLN A 43 -28.738 53.443 -20.178 1.00 44.25 H new ATOM 0 HB2 GLN A 43 -30.729 52.116 -19.347 1.00 3.25 H new ATOM 0 HB3 GLN A 43 -30.086 51.611 -20.897 1.00 3.25 H new ATOM 0 HG2 GLN A 43 -30.079 49.529 -20.053 1.00 4.35 H new ATOM 0 HG3 GLN A 43 -28.658 50.018 -19.150 1.00 4.35 H new ATOM 0 HE21 GLN A 43 -29.043 51.045 -16.971 1.00 71.12 H new ATOM 0 HE22 GLN A 43 -30.379 50.410 -16.006 1.00 71.12 H new ATOM 620 N ARG A 44 -27.467 52.407 -17.479 1.00 1.11 N ATOM 621 CA ARG A 44 -27.245 52.682 -16.064 1.00 30.10 C ATOM 622 C ARG A 44 -27.736 54.079 -15.698 1.00 10.33 C ATOM 623 O ARG A 44 -28.417 54.266 -14.691 1.00 72.41 O ATOM 624 CB ARG A 44 -25.760 52.545 -15.723 1.00 25.13 C ATOM 625 CG ARG A 44 -25.185 51.174 -16.043 1.00 75.24 C ATOM 626 CD ARG A 44 -25.302 50.232 -14.855 1.00 64.45 C ATOM 627 NE ARG A 44 -24.061 50.158 -14.090 1.00 20.31 N ATOM 628 CZ ARG A 44 -23.038 49.378 -14.421 1.00 62.22 C ATOM 629 NH1 ARG A 44 -23.109 48.609 -15.499 1.00 25.04 N ATOM 630 NH2 ARG A 44 -21.942 49.365 -13.675 1.00 11.22 N ATOM 0 H ARG A 44 -26.752 51.823 -17.913 1.00 1.11 H new ATOM 0 HA ARG A 44 -27.812 51.954 -15.485 1.00 30.10 H new ATOM 0 HB2 ARG A 44 -25.199 53.302 -16.271 1.00 25.13 H new ATOM 0 HB3 ARG A 44 -25.619 52.750 -14.662 1.00 25.13 H new ATOM 0 HG2 ARG A 44 -25.709 50.749 -16.899 1.00 75.24 H new ATOM 0 HG3 ARG A 44 -24.138 51.274 -16.328 1.00 75.24 H new ATOM 0 HD2 ARG A 44 -26.109 50.568 -14.204 1.00 64.45 H new ATOM 0 HD3 ARG A 44 -25.570 49.236 -15.207 1.00 64.45 H new ATOM 0 HE ARG A 44 -23.975 50.737 -13.255 1.00 20.31 H new ATOM 0 HH11 ARG A 44 -23.950 48.616 -16.076 1.00 25.04 H new ATOM 0 HH12 ARG A 44 -22.322 48.011 -15.751 1.00 25.04 H new ATOM 0 HH21 ARG A 44 -21.883 49.955 -12.845 1.00 11.22 H new ATOM 0 HH22 ARG A 44 -21.158 48.765 -13.931 1.00 11.22 H new ATOM 644 N LYS A 45 -27.383 55.059 -16.523 1.00 43.24 N ATOM 645 CA LYS A 45 -27.787 56.440 -16.288 1.00 41.53 C ATOM 646 C LYS A 45 -27.775 57.239 -17.587 1.00 4.24 C ATOM 647 O LYS A 45 -26.714 57.607 -18.092 1.00 15.02 O ATOM 648 CB LYS A 45 -26.858 57.097 -15.264 1.00 53.54 C ATOM 649 CG LYS A 45 -27.565 58.080 -14.347 1.00 32.34 C ATOM 650 CD LYS A 45 -28.345 57.362 -13.256 1.00 44.22 C ATOM 651 CE LYS A 45 -29.377 58.276 -12.615 1.00 23.10 C ATOM 652 NZ LYS A 45 -30.736 57.666 -12.615 1.00 3.24 N ATOM 0 H LYS A 45 -26.818 54.922 -17.361 1.00 43.24 H new ATOM 0 HA LYS A 45 -28.804 56.433 -15.896 1.00 41.53 H new ATOM 0 HB2 LYS A 45 -26.390 56.320 -14.659 1.00 53.54 H new ATOM 0 HB3 LYS A 45 -26.058 57.616 -15.792 1.00 53.54 H new ATOM 0 HG2 LYS A 45 -26.832 58.747 -13.893 1.00 32.34 H new ATOM 0 HG3 LYS A 45 -28.243 58.702 -14.932 1.00 32.34 H new ATOM 0 HD2 LYS A 45 -28.843 56.489 -13.678 1.00 44.22 H new ATOM 0 HD3 LYS A 45 -27.656 56.999 -12.494 1.00 44.22 H new ATOM 0 HE2 LYS A 45 -29.079 58.498 -11.590 1.00 23.10 H new ATOM 0 HE3 LYS A 45 -29.405 59.224 -13.151 1.00 23.10 H new ATOM 0 HZ1 LYS A 45 -31.410 58.321 -12.169 1.00 3.24 H new ATOM 0 HZ2 LYS A 45 -31.032 57.477 -13.594 1.00 3.24 H new ATOM 0 HZ3 LYS A 45 -30.716 56.774 -12.081 1.00 3.24 H new ATOM 666 N VAL A 46 -28.961 57.505 -18.125 1.00 64.31 N ATOM 667 CA VAL A 46 -29.086 58.263 -19.364 1.00 21.31 C ATOM 668 C VAL A 46 -29.875 59.550 -19.144 1.00 42.13 C ATOM 669 O VAL A 46 -31.049 59.517 -18.774 1.00 41.33 O ATOM 670 CB VAL A 46 -29.778 57.432 -20.462 1.00 0.32 C ATOM 671 CG1 VAL A 46 -30.481 58.343 -21.458 1.00 12.24 C ATOM 672 CG2 VAL A 46 -28.770 56.536 -21.167 1.00 14.33 C ATOM 0 H VAL A 46 -29.849 57.207 -17.722 1.00 64.31 H new ATOM 0 HA VAL A 46 -28.075 58.511 -19.687 1.00 21.31 H new ATOM 0 HB VAL A 46 -30.529 56.797 -19.993 1.00 0.32 H new ATOM 0 HG11 VAL A 46 -30.964 57.739 -22.226 1.00 12.24 H new ATOM 0 HG12 VAL A 46 -31.232 58.938 -20.939 1.00 12.24 H new ATOM 0 HG13 VAL A 46 -29.751 59.005 -21.923 1.00 12.24 H new ATOM 0 HG21 VAL A 46 -29.276 55.956 -21.939 1.00 14.33 H new ATOM 0 HG22 VAL A 46 -27.994 57.150 -21.624 1.00 14.33 H new ATOM 0 HG23 VAL A 46 -28.317 55.859 -20.443 1.00 14.33 H new ATOM 682 N THR A 47 -29.221 60.684 -19.376 1.00 31.31 N ATOM 683 CA THR A 47 -29.859 61.982 -19.202 1.00 11.22 C ATOM 684 C THR A 47 -30.240 62.592 -20.546 1.00 61.33 C ATOM 685 O THR A 47 -29.372 62.747 -21.404 1.00 34.03 O ATOM 686 CB THR A 47 -28.941 62.964 -18.447 1.00 61.12 C ATOM 687 OG1 THR A 47 -28.717 62.497 -17.113 1.00 63.21 O ATOM 688 CG2 THR A 47 -29.554 64.355 -18.406 1.00 50.53 C ATOM 0 H THR A 47 -28.250 60.729 -19.685 1.00 31.31 H new ATOM 0 HA THR A 47 -30.761 61.814 -18.613 1.00 11.22 H new ATOM 0 HB THR A 47 -27.990 63.019 -18.977 1.00 61.12 H new ATOM 0 HG1 THR A 47 -28.132 63.125 -16.640 1.00 63.21 H new ATOM 0 HG21 THR A 47 -28.888 65.030 -17.868 1.00 50.53 H new ATOM 0 HG22 THR A 47 -29.697 64.720 -19.423 1.00 50.53 H new ATOM 0 HG23 THR A 47 -30.517 64.313 -17.897 1.00 50.53 H new ATOM 696 N CYS A 48 -31.515 62.921 -20.700 1.00 13.33 N ATOM 697 CA CYS A 48 -31.991 63.510 -21.940 1.00 12.12 C ATOM 698 C CYS A 48 -31.334 64.882 -22.103 1.00 54.13 C ATOM 699 O CYS A 48 -31.270 65.448 -23.194 1.00 72.11 O ATOM 700 CB CYS A 48 -33.518 63.599 -21.973 1.00 61.13 C ATOM 701 SG CYS A 48 -34.037 65.126 -22.840 1.00 24.12 S ATOM 0 H CYS A 48 -32.232 62.791 -19.987 1.00 13.33 H new ATOM 0 HA CYS A 48 -31.712 62.874 -22.780 1.00 12.12 H new ATOM 0 HB2 CYS A 48 -33.931 62.726 -22.478 1.00 61.13 H new ATOM 0 HB3 CYS A 48 -33.913 63.596 -20.957 1.00 61.13 H new ATOM 0 HG CYS A 48 -33.015 65.646 -23.452 1.00 24.12 H new ATOM 706 N GLU A 49 -30.848 65.409 -20.984 1.00 31.40 N ATOM 707 CA GLU A 49 -30.194 66.712 -20.974 1.00 22.00 C ATOM 708 C GLU A 49 -28.721 66.583 -21.354 1.00 23.12 C ATOM 709 O GLU A 49 -28.053 65.622 -20.978 1.00 21.42 O ATOM 710 CB GLU A 49 -30.321 67.362 -19.596 1.00 20.55 C ATOM 711 CG GLU A 49 -29.328 68.486 -19.357 1.00 44.52 C ATOM 712 CD GLU A 49 -29.938 69.858 -19.562 1.00 42.20 C ATOM 713 OE1 GLU A 49 -29.905 70.359 -20.706 1.00 63.33 O ATOM 714 OE2 GLU A 49 -30.451 70.433 -18.578 1.00 24.54 O ATOM 0 H GLU A 49 -30.895 64.954 -20.072 1.00 31.40 H new ATOM 0 HA GLU A 49 -30.689 67.344 -21.712 1.00 22.00 H new ATOM 0 HB2 GLU A 49 -31.332 67.752 -19.480 1.00 20.55 H new ATOM 0 HB3 GLU A 49 -30.184 66.599 -18.830 1.00 20.55 H new ATOM 0 HG2 GLU A 49 -28.941 68.413 -18.341 1.00 44.52 H new ATOM 0 HG3 GLU A 49 -28.480 68.366 -20.031 1.00 44.52 H new ATOM 775 N GLY A 55 -33.070 69.553 -22.611 1.00 10.44 N ATOM 776 CA GLY A 55 -32.850 69.273 -21.205 1.00 72.51 C ATOM 777 C GLY A 55 -34.146 69.076 -20.443 1.00 31.33 C ATOM 778 O GLY A 55 -34.898 70.036 -20.284 1.00 32.52 O ATOM 0 HA2 GLY A 55 -32.235 68.378 -21.108 1.00 72.51 H new ATOM 0 HA3 GLY A 55 -32.290 70.094 -20.757 1.00 72.51 H new ATOM 782 N CYS A 56 -34.385 67.852 -19.993 1.00 0.41 N ATOM 783 CA CYS A 56 -35.598 67.551 -19.253 1.00 15.24 C ATOM 784 C CYS A 56 -35.263 67.557 -17.759 1.00 43.30 C ATOM 785 O CYS A 56 -35.918 68.207 -16.946 1.00 44.24 O ATOM 786 CB CYS A 56 -36.215 66.222 -19.694 1.00 12.04 C ATOM 787 SG CYS A 56 -37.147 66.452 -21.252 1.00 21.12 S ATOM 0 H CYS A 56 -33.759 67.058 -20.127 1.00 0.41 H new ATOM 0 HA CYS A 56 -36.351 68.312 -19.459 1.00 15.24 H new ATOM 0 HB2 CYS A 56 -35.432 65.477 -19.835 1.00 12.04 H new ATOM 0 HB3 CYS A 56 -36.878 65.843 -18.916 1.00 12.04 H new ATOM 0 HG CYS A 56 -37.044 65.381 -21.982 1.00 21.12 H new ATOM 792 N GLY A 57 -34.217 66.811 -17.416 1.00 51.01 N ATOM 793 CA GLY A 57 -33.790 66.727 -16.031 1.00 61.11 C ATOM 794 C GLY A 57 -33.975 65.339 -15.451 1.00 24.34 C ATOM 795 O GLY A 57 -33.333 64.980 -14.463 1.00 2.33 O ATOM 0 H GLY A 57 -33.658 66.264 -18.071 1.00 51.01 H new ATOM 0 HA2 GLY A 57 -32.740 67.010 -15.960 1.00 61.11 H new ATOM 0 HA3 GLY A 57 -34.355 67.445 -15.436 1.00 61.11 H new ATOM 799 N PHE A 58 -34.856 64.554 -16.064 1.00 24.04 N ATOM 800 CA PHE A 58 -35.125 63.198 -15.601 1.00 2.34 C ATOM 801 C PHE A 58 -34.540 62.169 -16.564 1.00 24.24 C ATOM 802 O PHE A 58 -34.957 62.076 -17.719 1.00 20.43 O ATOM 803 CB PHE A 58 -36.632 62.976 -15.454 1.00 54.22 C ATOM 804 CG PHE A 58 -36.986 61.645 -14.860 1.00 30.25 C ATOM 805 CD1 PHE A 58 -37.015 60.504 -15.647 1.00 11.22 C ATOM 806 CD2 PHE A 58 -37.291 61.530 -13.512 1.00 35.25 C ATOM 807 CE1 PHE A 58 -37.341 59.276 -15.103 1.00 40.01 C ATOM 808 CE2 PHE A 58 -37.617 60.304 -12.963 1.00 32.15 C ATOM 809 CZ PHE A 58 -37.643 59.177 -13.759 1.00 5.12 C ATOM 0 H PHE A 58 -35.396 64.834 -16.883 1.00 24.04 H new ATOM 0 HA PHE A 58 -34.649 63.072 -14.628 1.00 2.34 H new ATOM 0 HB2 PHE A 58 -37.048 63.766 -14.829 1.00 54.22 H new ATOM 0 HB3 PHE A 58 -37.101 63.064 -16.434 1.00 54.22 H new ATOM 0 HD1 PHE A 58 -36.780 60.576 -16.699 1.00 11.22 H new ATOM 0 HD2 PHE A 58 -37.274 62.408 -12.884 1.00 35.25 H new ATOM 0 HE1 PHE A 58 -37.360 58.395 -15.728 1.00 40.01 H new ATOM 0 HE2 PHE A 58 -37.851 60.228 -11.911 1.00 32.15 H new ATOM 0 HZ PHE A 58 -37.899 58.219 -13.332 1.00 5.12 H new ATOM 819 N ALA A 59 -33.571 61.397 -16.081 1.00 52.43 N ATOM 820 CA ALA A 59 -32.931 60.375 -16.896 1.00 11.14 C ATOM 821 C ALA A 59 -33.901 59.244 -17.222 1.00 1.33 C ATOM 822 O ALA A 59 -34.910 59.062 -16.539 1.00 23.33 O ATOM 823 CB ALA A 59 -31.700 59.829 -16.187 1.00 51.40 C ATOM 0 H ALA A 59 -33.213 61.462 -15.128 1.00 52.43 H new ATOM 0 HA ALA A 59 -32.623 60.835 -17.835 1.00 11.14 H new ATOM 0 HB1 ALA A 59 -31.231 59.066 -16.808 1.00 51.40 H new ATOM 0 HB2 ALA A 59 -30.992 60.639 -16.011 1.00 51.40 H new ATOM 0 HB3 ALA A 59 -31.994 59.391 -15.233 1.00 51.40 H new ATOM 829 N PHE A 60 -33.590 58.486 -18.267 1.00 60.53 N ATOM 830 CA PHE A 60 -34.436 57.374 -18.684 1.00 42.14 C ATOM 831 C PHE A 60 -33.596 56.137 -18.995 1.00 54.44 C ATOM 832 O PHE A 60 -32.369 56.223 -18.974 1.00 65.22 O ATOM 833 CB PHE A 60 -35.261 57.764 -19.912 1.00 20.24 C ATOM 834 CG PHE A 60 -34.436 58.321 -21.037 1.00 24.43 C ATOM 835 CD1 PHE A 60 -33.787 59.537 -20.903 1.00 41.15 C ATOM 836 CD2 PHE A 60 -34.308 57.625 -22.229 1.00 75.22 C ATOM 837 CE1 PHE A 60 -33.026 60.051 -21.936 1.00 65.03 C ATOM 838 CE2 PHE A 60 -33.549 58.135 -23.265 1.00 25.21 C ATOM 839 CZ PHE A 60 -32.908 59.349 -23.120 1.00 73.31 C ATOM 0 H PHE A 60 -32.758 58.621 -18.841 1.00 60.53 H new ATOM 0 HA PHE A 60 -35.111 57.137 -17.861 1.00 42.14 H new ATOM 0 HB2 PHE A 60 -35.803 56.888 -20.269 1.00 20.24 H new ATOM 0 HB3 PHE A 60 -36.007 58.503 -19.619 1.00 20.24 H new ATOM 0 HD1 PHE A 60 -33.877 60.091 -19.980 1.00 41.15 H new ATOM 0 HD2 PHE A 60 -34.807 56.675 -22.349 1.00 75.22 H new ATOM 0 HE1 PHE A 60 -32.524 61.000 -21.818 1.00 65.03 H new ATOM 0 HE2 PHE A 60 -33.457 57.583 -24.189 1.00 25.21 H new ATOM 0 HZ PHE A 60 -32.316 59.749 -23.930 1.00 73.31 H new ATOM 849 N CYS A 61 -34.268 55.030 -19.271 1.00 22.14 N ATOM 850 CA CYS A 61 -33.574 53.792 -19.581 1.00 5.14 C ATOM 851 C CYS A 61 -33.514 53.642 -21.103 1.00 72.51 C ATOM 852 O CYS A 61 -34.530 53.518 -21.786 1.00 42.14 O ATOM 853 CB CYS A 61 -34.241 52.587 -18.915 1.00 5.33 C ATOM 854 SG CYS A 61 -33.320 51.058 -19.320 1.00 1.12 S ATOM 0 H CYS A 61 -35.286 54.964 -19.287 1.00 22.14 H new ATOM 0 HA CYS A 61 -32.561 53.831 -19.181 1.00 5.14 H new ATOM 0 HB2 CYS A 61 -34.270 52.728 -17.835 1.00 5.33 H new ATOM 0 HB3 CYS A 61 -35.274 52.500 -19.253 1.00 5.33 H new ATOM 0 HG CYS A 61 -32.865 50.523 -18.226 1.00 1.12 H new ATOM 859 N ARG A 62 -32.291 53.657 -21.621 1.00 4.23 N ATOM 860 CA ARG A 62 -32.067 53.526 -23.055 1.00 65.11 C ATOM 861 C ARG A 62 -32.434 52.127 -23.538 1.00 61.54 C ATOM 862 O ARG A 62 -32.850 51.943 -24.682 1.00 22.34 O ATOM 863 CB ARG A 62 -30.606 53.827 -23.395 1.00 3.14 C ATOM 864 CG ARG A 62 -30.215 53.425 -24.809 1.00 31.25 C ATOM 865 CD ARG A 62 -28.746 53.040 -24.891 1.00 5.45 C ATOM 866 NE ARG A 62 -28.353 52.665 -26.247 1.00 72.32 N ATOM 867 CZ ARG A 62 -27.268 51.951 -26.527 1.00 54.13 C ATOM 868 NH1 ARG A 62 -26.472 51.537 -25.551 1.00 15.41 N ATOM 869 NH2 ARG A 62 -26.978 51.650 -27.786 1.00 30.12 N ATOM 0 H ARG A 62 -31.439 53.759 -21.069 1.00 4.23 H new ATOM 0 HA ARG A 62 -32.707 54.247 -23.563 1.00 65.11 H new ATOM 0 HB2 ARG A 62 -30.424 54.894 -23.266 1.00 3.14 H new ATOM 0 HB3 ARG A 62 -29.962 53.306 -22.687 1.00 3.14 H new ATOM 0 HG2 ARG A 62 -30.831 52.586 -25.134 1.00 31.25 H new ATOM 0 HG3 ARG A 62 -30.415 54.251 -25.492 1.00 31.25 H new ATOM 0 HD2 ARG A 62 -28.133 53.876 -24.554 1.00 5.45 H new ATOM 0 HD3 ARG A 62 -28.551 52.208 -24.214 1.00 5.45 H new ATOM 0 HE ARG A 62 -28.944 52.968 -27.021 1.00 72.32 H new ATOM 0 HH11 ARG A 62 -26.692 51.766 -24.582 1.00 15.41 H new ATOM 0 HH12 ARG A 62 -25.640 50.989 -25.769 1.00 15.41 H new ATOM 0 HH21 ARG A 62 -27.588 51.967 -28.540 1.00 30.12 H new ATOM 0 HH22 ARG A 62 -26.145 51.102 -28.000 1.00 30.12 H new ATOM 883 N GLU A 63 -32.279 51.142 -22.658 1.00 61.23 N ATOM 884 CA GLU A 63 -32.593 49.760 -22.995 1.00 72.31 C ATOM 885 C GLU A 63 -34.054 49.620 -23.413 1.00 20.41 C ATOM 886 O GLU A 63 -34.339 48.921 -24.384 1.00 40.32 O ATOM 887 CB GLU A 63 -32.302 48.842 -21.806 1.00 31.45 C ATOM 888 CG GLU A 63 -31.110 47.925 -22.021 1.00 4.42 C ATOM 889 CD GLU A 63 -31.348 46.906 -23.118 1.00 24.20 C ATOM 890 OE1 GLU A 63 -32.220 46.031 -22.936 1.00 42.33 O ATOM 891 OE2 GLU A 63 -30.663 46.984 -24.159 1.00 0.13 O ATOM 0 H GLU A 63 -31.938 51.277 -21.706 1.00 61.23 H new ATOM 0 HA GLU A 63 -31.963 49.466 -23.834 1.00 72.31 H new ATOM 0 HB2 GLU A 63 -32.124 49.453 -20.921 1.00 31.45 H new ATOM 0 HB3 GLU A 63 -33.184 48.235 -21.602 1.00 31.45 H new ATOM 0 HG2 GLU A 63 -30.235 48.525 -22.271 1.00 4.42 H new ATOM 0 HG3 GLU A 63 -30.884 47.405 -21.090 1.00 4.42 H new ATOM 898 N CYS A 64 -34.937 50.279 -22.677 1.00 43.51 N ATOM 899 CA CYS A 64 -36.357 50.219 -22.981 1.00 52.31 C ATOM 900 C CYS A 64 -36.821 51.620 -23.386 1.00 2.45 C ATOM 901 O CYS A 64 -38.004 51.880 -23.602 1.00 33.12 O ATOM 902 CB CYS A 64 -37.165 49.670 -21.803 1.00 64.54 C ATOM 903 SG CYS A 64 -36.739 50.578 -20.273 1.00 54.11 S ATOM 0 H CYS A 64 -34.697 50.857 -21.871 1.00 43.51 H new ATOM 0 HA CYS A 64 -36.526 49.528 -23.807 1.00 52.31 H new ATOM 0 HB2 CYS A 64 -38.231 49.766 -22.007 1.00 64.54 H new ATOM 0 HB3 CYS A 64 -36.959 48.607 -21.674 1.00 64.54 H new ATOM 0 HG CYS A 64 -35.450 50.567 -20.106 1.00 54.11 H new ATOM 908 N LYS A 65 -35.853 52.525 -23.484 1.00 5.32 N ATOM 909 CA LYS A 65 -36.131 53.905 -23.863 1.00 2.31 C ATOM 910 C LYS A 65 -37.358 54.435 -23.126 1.00 50.14 C ATOM 911 O LYS A 65 -38.099 55.264 -23.654 1.00 22.43 O ATOM 912 CB LYS A 65 -36.347 54.008 -25.375 1.00 35.00 C ATOM 913 CG LYS A 65 -37.100 52.829 -25.963 1.00 2.41 C ATOM 914 CD LYS A 65 -37.197 52.927 -27.476 1.00 3.12 C ATOM 915 CE LYS A 65 -38.460 53.657 -27.908 1.00 24.24 C ATOM 916 NZ LYS A 65 -38.220 55.113 -28.102 1.00 44.41 N ATOM 0 H LYS A 65 -34.868 52.327 -23.306 1.00 5.32 H new ATOM 0 HA LYS A 65 -35.270 54.512 -23.584 1.00 2.31 H new ATOM 0 HB2 LYS A 65 -36.896 54.924 -25.594 1.00 35.00 H new ATOM 0 HB3 LYS A 65 -35.378 54.091 -25.867 1.00 35.00 H new ATOM 0 HG2 LYS A 65 -36.597 51.902 -25.689 1.00 2.41 H new ATOM 0 HG3 LYS A 65 -38.102 52.786 -25.535 1.00 2.41 H new ATOM 0 HD2 LYS A 65 -36.323 53.449 -27.865 1.00 3.12 H new ATOM 0 HD3 LYS A 65 -37.188 51.926 -27.908 1.00 3.12 H new ATOM 0 HE2 LYS A 65 -38.831 53.223 -28.837 1.00 24.24 H new ATOM 0 HE3 LYS A 65 -39.237 53.514 -27.157 1.00 24.24 H new ATOM 0 HZ1 LYS A 65 -38.970 55.512 -28.702 1.00 44.41 H new ATOM 0 HZ2 LYS A 65 -38.225 55.592 -27.179 1.00 44.41 H new ATOM 0 HZ3 LYS A 65 -37.297 55.255 -28.561 1.00 44.41 H new ATOM 930 N GLU A 66 -37.565 53.951 -21.907 1.00 2.33 N ATOM 931 CA GLU A 66 -38.702 54.376 -21.099 1.00 35.23 C ATOM 932 C GLU A 66 -38.235 55.002 -19.787 1.00 3.31 C ATOM 933 O GLU A 66 -37.045 54.994 -19.474 1.00 70.41 O ATOM 934 CB GLU A 66 -39.623 53.189 -20.810 1.00 61.34 C ATOM 935 CG GLU A 66 -40.862 53.152 -21.690 1.00 14.21 C ATOM 936 CD GLU A 66 -41.517 54.512 -21.832 1.00 61.44 C ATOM 937 OE1 GLU A 66 -42.249 54.917 -20.905 1.00 14.45 O ATOM 938 OE2 GLU A 66 -41.299 55.170 -22.870 1.00 2.44 O ATOM 0 H GLU A 66 -36.961 53.264 -21.456 1.00 2.33 H new ATOM 0 HA GLU A 66 -39.255 55.127 -21.664 1.00 35.23 H new ATOM 0 HB2 GLU A 66 -39.063 52.264 -20.946 1.00 61.34 H new ATOM 0 HB3 GLU A 66 -39.931 53.225 -19.765 1.00 61.34 H new ATOM 0 HG2 GLU A 66 -40.591 52.779 -22.677 1.00 14.21 H new ATOM 0 HG3 GLU A 66 -41.581 52.449 -21.270 1.00 14.21 H new ATOM 945 N ALA A 67 -39.181 55.544 -19.028 1.00 11.54 N ATOM 946 CA ALA A 67 -38.867 56.173 -17.750 1.00 52.45 C ATOM 947 C ALA A 67 -38.047 55.240 -16.866 1.00 51.01 C ATOM 948 O ALA A 67 -38.369 54.060 -16.727 1.00 5.41 O ATOM 949 CB ALA A 67 -40.146 56.590 -17.040 1.00 41.22 C ATOM 0 H ALA A 67 -40.171 55.561 -19.275 1.00 11.54 H new ATOM 0 HA ALA A 67 -38.268 57.062 -17.947 1.00 52.45 H new ATOM 0 HB1 ALA A 67 -39.897 57.058 -16.088 1.00 41.22 H new ATOM 0 HB2 ALA A 67 -40.692 57.300 -17.661 1.00 41.22 H new ATOM 0 HB3 ALA A 67 -40.766 55.712 -16.862 1.00 41.22 H new ATOM 955 N TYR A 68 -36.988 55.775 -16.271 1.00 54.45 N ATOM 956 CA TYR A 68 -36.121 54.990 -15.402 1.00 54.14 C ATOM 957 C TYR A 68 -36.932 54.265 -14.332 1.00 62.21 C ATOM 958 O TYR A 68 -37.357 54.866 -13.344 1.00 24.05 O ATOM 959 CB TYR A 68 -35.075 55.890 -14.740 1.00 63.13 C ATOM 960 CG TYR A 68 -33.788 55.174 -14.399 1.00 72.50 C ATOM 961 CD1 TYR A 68 -33.637 54.514 -13.186 1.00 30.24 C ATOM 962 CD2 TYR A 68 -32.723 55.157 -15.292 1.00 12.12 C ATOM 963 CE1 TYR A 68 -32.463 53.859 -12.870 1.00 13.11 C ATOM 964 CE2 TYR A 68 -31.546 54.503 -14.985 1.00 24.21 C ATOM 965 CZ TYR A 68 -31.420 53.856 -13.773 1.00 15.04 C ATOM 966 OH TYR A 68 -30.249 53.204 -13.462 1.00 2.31 O ATOM 0 H TYR A 68 -36.709 56.751 -16.375 1.00 54.45 H new ATOM 0 HA TYR A 68 -35.615 54.245 -16.016 1.00 54.14 H new ATOM 0 HB2 TYR A 68 -34.852 56.724 -15.406 1.00 63.13 H new ATOM 0 HB3 TYR A 68 -35.497 56.314 -13.829 1.00 63.13 H new ATOM 0 HD1 TYR A 68 -34.452 54.513 -12.478 1.00 30.24 H new ATOM 0 HD2 TYR A 68 -32.817 55.663 -16.241 1.00 12.12 H new ATOM 0 HE1 TYR A 68 -32.362 53.352 -11.922 1.00 13.11 H new ATOM 0 HE2 TYR A 68 -30.728 54.498 -15.690 1.00 24.21 H new ATOM 0 HH TYR A 68 -29.487 53.788 -13.658 1.00 2.31 H new ATOM 976 N HIS A 69 -37.144 52.969 -14.538 1.00 53.12 N ATOM 977 CA HIS A 69 -37.905 52.160 -13.591 1.00 44.20 C ATOM 978 C HIS A 69 -37.128 51.968 -12.294 1.00 31.11 C ATOM 979 O HIS A 69 -37.712 51.701 -11.243 1.00 5.12 O ATOM 980 CB HIS A 69 -38.240 50.800 -14.206 1.00 33.32 C ATOM 981 CG HIS A 69 -37.216 50.318 -15.187 1.00 45.50 C ATOM 982 ND1 HIS A 69 -36.075 49.642 -14.813 1.00 65.24 N ATOM 983 CD2 HIS A 69 -37.169 50.417 -16.536 1.00 72.41 C ATOM 984 CE1 HIS A 69 -35.368 49.346 -15.891 1.00 22.54 C ATOM 985 NE2 HIS A 69 -36.011 49.805 -16.949 1.00 11.33 N ATOM 0 H HIS A 69 -36.800 52.457 -15.350 1.00 53.12 H new ATOM 0 HA HIS A 69 -38.832 52.686 -13.363 1.00 44.20 H new ATOM 0 HB2 HIS A 69 -38.341 50.065 -13.408 1.00 33.32 H new ATOM 0 HB3 HIS A 69 -39.207 50.864 -14.705 1.00 33.32 H new ATOM 0 HD2 HIS A 69 -37.905 50.889 -17.170 1.00 72.41 H new ATOM 0 HE1 HIS A 69 -34.426 48.819 -15.904 1.00 22.54 H new ATOM 0 HE2 HIS A 69 -35.698 49.719 -17.916 1.00 11.33 H new ATOM 993 N GLU A 70 -35.807 52.106 -12.373 1.00 72.23 N ATOM 994 CA GLU A 70 -34.952 51.947 -11.204 1.00 21.33 C ATOM 995 C GLU A 70 -34.955 50.500 -10.721 1.00 32.25 C ATOM 996 O GLU A 70 -35.113 50.231 -9.530 1.00 52.54 O ATOM 997 CB GLU A 70 -35.411 52.874 -10.076 1.00 41.03 C ATOM 998 CG GLU A 70 -34.490 54.061 -9.851 1.00 44.33 C ATOM 999 CD GLU A 70 -35.237 55.380 -9.808 1.00 72.32 C ATOM 1000 OE1 GLU A 70 -36.400 55.387 -9.353 1.00 30.00 O ATOM 1001 OE2 GLU A 70 -34.660 56.403 -10.231 1.00 65.43 O ATOM 0 H GLU A 70 -35.307 52.327 -13.234 1.00 72.23 H new ATOM 0 HA GLU A 70 -33.935 52.214 -11.492 1.00 21.33 H new ATOM 0 HB2 GLU A 70 -36.412 53.240 -10.303 1.00 41.03 H new ATOM 0 HB3 GLU A 70 -35.483 52.300 -9.152 1.00 41.03 H new ATOM 0 HG2 GLU A 70 -33.949 53.924 -8.915 1.00 44.33 H new ATOM 0 HG3 GLU A 70 -33.746 54.095 -10.647 1.00 44.33 H new ATOM 1008 N GLY A 71 -34.781 49.568 -11.654 1.00 51.25 N ATOM 1009 CA GLY A 71 -34.770 48.160 -11.304 1.00 5.43 C ATOM 1010 C GLY A 71 -34.290 47.284 -12.445 1.00 71.21 C ATOM 1011 O GLY A 71 -33.192 46.732 -12.393 1.00 11.43 O ATOM 0 H GLY A 71 -34.647 49.764 -12.646 1.00 51.25 H new ATOM 0 HA2 GLY A 71 -34.126 48.009 -10.438 1.00 5.43 H new ATOM 0 HA3 GLY A 71 -35.774 47.853 -11.012 1.00 5.43 H new ATOM 1015 N GLU A 72 -35.118 47.154 -13.478 1.00 51.31 N ATOM 1016 CA GLU A 72 -34.773 46.336 -14.634 1.00 72.33 C ATOM 1017 C GLU A 72 -35.914 46.317 -15.647 1.00 11.22 C ATOM 1018 O GLU A 72 -37.071 46.193 -15.249 1.00 43.42 O ATOM 1019 CB GLU A 72 -34.442 44.908 -14.196 1.00 3.22 C ATOM 1020 CG GLU A 72 -32.969 44.558 -14.325 1.00 30.12 C ATOM 1021 CD GLU A 72 -32.574 44.217 -15.749 1.00 42.54 C ATOM 1022 OE1 GLU A 72 -33.470 43.872 -16.548 1.00 44.10 O ATOM 1023 OE2 GLU A 72 -31.368 44.297 -16.064 1.00 42.02 O ATOM 0 H GLU A 72 -36.031 47.605 -13.537 1.00 51.31 H new ATOM 0 HA GLU A 72 -33.896 46.775 -15.109 1.00 72.33 H new ATOM 0 HB2 GLU A 72 -34.749 44.775 -13.159 1.00 3.22 H new ATOM 0 HB3 GLU A 72 -35.027 44.209 -14.794 1.00 3.22 H new ATOM 0 HG2 GLU A 72 -32.368 45.398 -13.976 1.00 30.12 H new ATOM 0 HG3 GLU A 72 -32.742 43.712 -13.676 1.00 30.12 H new ATOM 1030 N CYS A 73 -35.567 46.440 -16.920 1.00 33.23 N ATOM 1031 CA CYS A 73 -36.568 46.437 -17.972 1.00 52.33 C ATOM 1032 C CYS A 73 -37.596 45.349 -17.654 1.00 0.30 C ATOM 1033 O CYS A 73 -38.787 45.606 -17.483 1.00 72.11 O ATOM 1034 CB CYS A 73 -35.938 46.241 -19.352 1.00 55.03 C ATOM 1035 SG CYS A 73 -34.620 47.482 -19.620 1.00 53.14 S ATOM 0 H CYS A 73 -34.606 46.542 -17.246 1.00 33.23 H new ATOM 0 HA CYS A 73 -37.065 47.406 -18.007 1.00 52.33 H new ATOM 0 HB2 CYS A 73 -35.524 45.236 -19.433 1.00 55.03 H new ATOM 0 HB3 CYS A 73 -36.700 46.335 -20.126 1.00 55.03 H new ATOM 0 HG CYS A 73 -35.158 48.635 -19.887 1.00 53.14 H new