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 -168:sc= -5.3! USER MOD Set 1.2: A 87 ASN : amide:sc= -5.37! C(o=-11!,f=-13!) USER MOD Single : A 25 THR OG1 : rot 32:sc= -1.19 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.539 USER MOD Single : A 31 SER OG : rot 180:sc= -1.54! USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 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= -0.155 K(o=-0.15,f=-2!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 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 62:sc= -0.238 USER MOD Single : A 102 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 356 N THR A 25 68.486 -37.911 5.070 1.00 42.44 N ATOM 357 CA THR A 25 69.926 -37.819 4.865 1.00 24.13 C ATOM 358 C THR A 25 70.630 -37.309 6.116 1.00 60.23 C ATOM 359 O THR A 25 70.159 -36.376 6.768 1.00 24.14 O ATOM 360 CB THR A 25 70.268 -36.891 3.683 1.00 20.54 C ATOM 361 OG1 THR A 25 69.945 -37.535 2.446 1.00 5.01 O ATOM 362 CG2 THR A 25 71.742 -36.517 3.697 1.00 23.13 C ATOM 0 HA THR A 25 70.276 -38.826 4.640 1.00 24.13 H new ATOM 0 HB THR A 25 69.678 -35.980 3.782 1.00 20.54 H new ATOM 0 HG1 THR A 25 69.173 -38.125 2.576 1.00 5.01 H new ATOM 0 HG21 THR A 25 71.959 -35.862 2.853 1.00 23.13 H new ATOM 0 HG22 THR A 25 71.978 -36.001 4.628 1.00 23.13 H new ATOM 0 HG23 THR A 25 72.347 -37.420 3.620 1.00 23.13 H new ATOM 370 N SER A 26 71.760 -37.925 6.448 1.00 70.31 N ATOM 371 CA SER A 26 72.527 -37.534 7.625 1.00 60.23 C ATOM 372 C SER A 26 73.217 -36.191 7.402 1.00 12.31 C ATOM 373 O SER A 26 73.996 -36.030 6.464 1.00 61.35 O ATOM 374 CB SER A 26 73.567 -38.605 7.961 1.00 31.50 C ATOM 375 OG SER A 26 73.087 -39.900 7.640 1.00 74.12 O ATOM 0 H SER A 26 72.165 -38.697 5.918 1.00 70.31 H new ATOM 0 HA SER A 26 71.836 -37.433 8.462 1.00 60.23 H new ATOM 0 HB2 SER A 26 74.487 -38.408 7.411 1.00 31.50 H new ATOM 0 HB3 SER A 26 73.813 -38.557 9.022 1.00 31.50 H new ATOM 0 HG SER A 26 73.770 -40.567 7.862 1.00 74.12 H new ATOM 381 N ALA A 27 72.924 -35.232 8.273 1.00 61.50 N ATOM 382 CA ALA A 27 73.516 -33.903 8.175 1.00 25.44 C ATOM 383 C ALA A 27 73.834 -33.340 9.555 1.00 10.24 C ATOM 384 O ALA A 27 73.315 -33.815 10.566 1.00 44.01 O ATOM 385 CB ALA A 27 72.585 -32.965 7.421 1.00 73.02 C ATOM 0 H ALA A 27 72.280 -35.350 9.055 1.00 61.50 H new ATOM 0 HA ALA A 27 74.452 -33.989 7.623 1.00 25.44 H new ATOM 0 HB1 ALA A 27 73.040 -31.976 7.355 1.00 73.02 H new ATOM 0 HB2 ALA A 27 72.413 -33.353 6.417 1.00 73.02 H new ATOM 0 HB3 ALA A 27 71.635 -32.893 7.950 1.00 73.02 H new ATOM 391 N THR A 28 74.692 -32.325 9.592 1.00 45.11 N ATOM 392 CA THR A 28 75.081 -31.698 10.849 1.00 73.24 C ATOM 393 C THR A 28 74.943 -30.182 10.773 1.00 1.21 C ATOM 394 O THR A 28 75.896 -29.479 10.433 1.00 2.33 O ATOM 395 CB THR A 28 76.531 -32.053 11.228 1.00 70.12 C ATOM 396 OG1 THR A 28 76.618 -33.434 11.593 1.00 1.13 O ATOM 397 CG2 THR A 28 77.016 -31.186 12.381 1.00 11.42 C ATOM 0 H THR A 28 75.131 -31.920 8.765 1.00 45.11 H new ATOM 0 HA THR A 28 74.409 -32.082 11.616 1.00 73.24 H new ATOM 0 HB THR A 28 77.166 -31.867 10.362 1.00 70.12 H new ATOM 0 HG1 THR A 28 77.543 -33.652 11.831 1.00 1.13 H new ATOM 0 HG21 THR A 28 78.042 -31.454 12.631 1.00 11.42 H new ATOM 0 HG22 THR A 28 76.976 -30.137 12.089 1.00 11.42 H new ATOM 0 HG23 THR A 28 76.377 -31.345 13.250 1.00 11.42 H new ATOM 405 N ILE A 29 73.754 -29.683 11.092 1.00 12.24 N ATOM 406 CA ILE A 29 73.493 -28.250 11.061 1.00 50.10 C ATOM 407 C ILE A 29 74.629 -27.471 11.717 1.00 65.24 C ATOM 408 O ILE A 29 75.059 -27.793 12.825 1.00 43.14 O ATOM 409 CB ILE A 29 72.172 -27.902 11.770 1.00 75.42 C ATOM 410 CG1 ILE A 29 71.951 -28.828 12.968 1.00 12.24 C ATOM 411 CG2 ILE A 29 71.006 -28.001 10.797 1.00 1.22 C ATOM 412 CD1 ILE A 29 70.746 -28.458 13.804 1.00 23.10 C ATOM 0 H ILE A 29 72.955 -30.251 11.375 1.00 12.24 H new ATOM 0 HA ILE A 29 73.418 -27.966 10.011 1.00 50.10 H new ATOM 0 HB ILE A 29 72.232 -26.876 12.133 1.00 75.42 H new ATOM 0 HG12 ILE A 29 71.834 -29.851 12.610 1.00 12.24 H new ATOM 0 HG13 ILE A 29 72.840 -28.811 13.599 1.00 12.24 H new ATOM 0 HG21 ILE A 29 70.079 -27.752 11.313 1.00 1.22 H new ATOM 0 HG22 ILE A 29 71.160 -27.305 9.972 1.00 1.22 H new ATOM 0 HG23 ILE A 29 70.943 -29.017 10.407 1.00 1.22 H new ATOM 0 HD11 ILE A 29 70.651 -29.157 14.635 1.00 23.10 H new ATOM 0 HD12 ILE A 29 70.869 -27.447 14.192 1.00 23.10 H new ATOM 0 HD13 ILE A 29 69.848 -28.503 13.188 1.00 23.10 H new ATOM 424 N THR A 30 75.110 -26.443 11.025 1.00 42.41 N ATOM 425 CA THR A 30 76.195 -25.617 11.539 1.00 43.03 C ATOM 426 C THR A 30 76.134 -24.207 10.962 1.00 2.54 C ATOM 427 O THR A 30 76.605 -23.960 9.852 1.00 74.12 O ATOM 428 CB THR A 30 77.571 -26.232 11.218 1.00 51.14 C ATOM 429 OG1 THR A 30 77.590 -27.612 11.597 1.00 10.13 O ATOM 430 CG2 THR A 30 78.680 -25.485 11.944 1.00 1.24 C ATOM 0 H THR A 30 74.765 -26.163 10.107 1.00 42.41 H new ATOM 0 HA THR A 30 76.070 -25.570 12.621 1.00 43.03 H new ATOM 0 HB THR A 30 77.741 -26.148 10.145 1.00 51.14 H new ATOM 0 HG1 THR A 30 78.506 -27.955 11.539 1.00 10.13 H new ATOM 0 HG21 THR A 30 79.642 -25.937 11.702 1.00 1.24 H new ATOM 0 HG22 THR A 30 78.681 -24.441 11.631 1.00 1.24 H new ATOM 0 HG23 THR A 30 78.513 -25.541 13.020 1.00 1.24 H new ATOM 438 N SER A 31 75.552 -23.286 11.723 1.00 52.05 N ATOM 439 CA SER A 31 75.427 -21.900 11.285 1.00 34.41 C ATOM 440 C SER A 31 75.803 -20.940 12.409 1.00 61.23 C ATOM 441 O SER A 31 74.945 -20.261 12.973 1.00 40.40 O ATOM 442 CB SER A 31 73.999 -21.619 10.815 1.00 31.15 C ATOM 443 OG SER A 31 73.929 -20.399 10.096 1.00 31.03 O ATOM 0 H SER A 31 75.160 -23.474 12.646 1.00 52.05 H new ATOM 0 HA SER A 31 76.113 -21.744 10.453 1.00 34.41 H new ATOM 0 HB2 SER A 31 73.653 -22.437 10.183 1.00 31.15 H new ATOM 0 HB3 SER A 31 73.331 -21.576 11.676 1.00 31.15 H new ATOM 0 HG SER A 31 73.006 -20.243 9.805 1.00 31.03 H new ATOM 449 N GLY A 32 77.092 -20.888 12.729 1.00 2.33 N ATOM 450 CA GLY A 32 77.560 -20.008 13.784 1.00 21.11 C ATOM 451 C GLY A 32 79.062 -20.080 13.974 1.00 45.54 C ATOM 452 O GLY A 32 79.720 -20.971 13.439 1.00 72.11 O ATOM 0 H GLY A 32 77.821 -21.440 12.276 1.00 2.33 H new ATOM 0 HA2 GLY A 32 77.275 -18.982 13.551 1.00 21.11 H new ATOM 0 HA3 GLY A 32 77.065 -20.271 14.719 1.00 21.11 H new ATOM 456 N GLU A 33 79.606 -19.137 14.738 1.00 44.12 N ATOM 457 CA GLU A 33 81.041 -19.096 14.995 1.00 32.44 C ATOM 458 C GLU A 33 81.555 -20.465 15.431 1.00 25.15 C ATOM 459 O GLU A 33 82.739 -20.769 15.288 1.00 64.41 O ATOM 460 CB GLU A 33 81.360 -18.053 16.069 1.00 34.45 C ATOM 461 CG GLU A 33 80.540 -18.217 17.338 1.00 24.32 C ATOM 462 CD GLU A 33 81.213 -17.606 18.550 1.00 42.40 C ATOM 463 OE1 GLU A 33 82.368 -17.982 18.840 1.00 40.01 O ATOM 464 OE2 GLU A 33 80.586 -16.751 19.210 1.00 64.32 O ATOM 0 H GLU A 33 79.075 -18.392 15.189 1.00 44.12 H new ATOM 0 HA GLU A 33 81.542 -18.817 14.068 1.00 32.44 H new ATOM 0 HB2 GLU A 33 82.419 -18.114 16.320 1.00 34.45 H new ATOM 0 HB3 GLU A 33 81.186 -17.058 15.660 1.00 34.45 H new ATOM 0 HG2 GLU A 33 79.563 -17.754 17.197 1.00 24.32 H new ATOM 0 HG3 GLU A 33 80.367 -19.278 17.520 1.00 24.32 H new ATOM 471 N GLN A 34 80.655 -21.286 15.963 1.00 23.01 N ATOM 472 CA GLN A 34 81.018 -22.622 16.421 1.00 34.54 C ATOM 473 C GLN A 34 79.782 -23.401 16.859 1.00 71.30 C ATOM 474 O GLN A 34 79.337 -23.288 18.002 1.00 43.33 O ATOM 475 CB GLN A 34 82.016 -22.535 17.577 1.00 22.04 C ATOM 476 CG GLN A 34 82.391 -23.888 18.160 1.00 43.34 C ATOM 477 CD GLN A 34 83.811 -23.921 18.689 1.00 14.12 C ATOM 478 OE1 GLN A 34 84.075 -23.505 19.818 1.00 10.43 O ATOM 479 NE2 GLN A 34 84.736 -24.418 17.875 1.00 61.23 N ATOM 0 H GLN A 34 79.671 -21.050 16.087 1.00 23.01 H new ATOM 0 HA GLN A 34 81.483 -23.150 15.588 1.00 34.54 H new ATOM 0 HB2 GLN A 34 82.920 -22.036 17.229 1.00 22.04 H new ATOM 0 HB3 GLN A 34 81.592 -21.914 18.366 1.00 22.04 H new ATOM 0 HG2 GLN A 34 81.701 -24.136 18.966 1.00 43.34 H new ATOM 0 HG3 GLN A 34 82.275 -24.655 17.394 1.00 43.34 H new ATOM 0 HE21 GLN A 34 84.473 -24.752 16.948 1.00 61.23 H new ATOM 0 HE22 GLN A 34 85.709 -24.466 18.177 1.00 61.23 H new ATOM 488 N SER A 35 79.230 -24.192 15.944 1.00 41.53 N ATOM 489 CA SER A 35 78.043 -24.987 16.235 1.00 42.02 C ATOM 490 C SER A 35 78.094 -26.325 15.505 1.00 0.32 C ATOM 491 O SER A 35 78.895 -26.518 14.591 1.00 55.32 O ATOM 492 CB SER A 35 76.780 -24.222 15.833 1.00 5.41 C ATOM 493 OG SER A 35 75.814 -24.253 16.869 1.00 20.24 O ATOM 0 H SER A 35 79.586 -24.299 14.994 1.00 41.53 H new ATOM 0 HA SER A 35 78.018 -25.178 17.308 1.00 42.02 H new ATOM 0 HB2 SER A 35 77.036 -23.188 15.601 1.00 5.41 H new ATOM 0 HB3 SER A 35 76.360 -24.658 14.927 1.00 5.41 H new ATOM 0 HG SER A 35 75.017 -23.756 16.588 1.00 20.24 H new ATOM 499 N GLY A 36 77.231 -27.250 15.917 1.00 42.21 N ATOM 500 CA GLY A 36 77.193 -28.560 15.293 1.00 52.41 C ATOM 501 C GLY A 36 76.173 -29.479 15.936 1.00 61.32 C ATOM 502 O GLY A 36 76.496 -30.230 16.855 1.00 24.22 O ATOM 0 H GLY A 36 76.558 -27.115 16.671 1.00 42.21 H new ATOM 0 HA2 GLY A 36 76.960 -28.448 14.234 1.00 52.41 H new ATOM 0 HA3 GLY A 36 78.180 -29.018 15.356 1.00 52.41 H new ATOM 506 N ALA A 37 74.936 -29.416 15.452 1.00 51.33 N ATOM 507 CA ALA A 37 73.865 -30.249 15.985 1.00 63.42 C ATOM 508 C ALA A 37 73.499 -31.362 15.010 1.00 21.54 C ATOM 509 O ALA A 37 74.187 -31.580 14.013 1.00 0.41 O ATOM 510 CB ALA A 37 72.644 -29.400 16.302 1.00 61.34 C ATOM 0 H ALA A 37 74.652 -28.797 14.693 1.00 51.33 H new ATOM 0 HA ALA A 37 74.221 -30.711 16.906 1.00 63.42 H new ATOM 0 HB1 ALA A 37 71.852 -30.035 16.699 1.00 61.34 H new ATOM 0 HB2 ALA A 37 72.908 -28.644 17.042 1.00 61.34 H new ATOM 0 HB3 ALA A 37 72.295 -28.911 15.393 1.00 61.34 H new ATOM 516 N VAL A 38 72.409 -32.065 15.303 1.00 24.14 N ATOM 517 CA VAL A 38 71.950 -33.155 14.451 1.00 4.42 C ATOM 518 C VAL A 38 70.822 -32.699 13.533 1.00 70.45 C ATOM 519 O VAL A 38 69.773 -32.251 13.998 1.00 74.22 O ATOM 520 CB VAL A 38 71.464 -34.355 15.287 1.00 40.53 C ATOM 521 CG1 VAL A 38 70.426 -33.909 16.306 1.00 53.11 C ATOM 522 CG2 VAL A 38 70.904 -35.441 14.382 1.00 33.31 C ATOM 0 H VAL A 38 71.828 -31.899 16.124 1.00 24.14 H new ATOM 0 HA VAL A 38 72.803 -33.464 13.847 1.00 4.42 H new ATOM 0 HB VAL A 38 72.315 -34.769 15.828 1.00 40.53 H new ATOM 0 HG11 VAL A 38 70.094 -34.769 16.887 1.00 53.11 H new ATOM 0 HG12 VAL A 38 70.866 -33.168 16.973 1.00 53.11 H new ATOM 0 HG13 VAL A 38 69.573 -33.470 15.788 1.00 53.11 H new ATOM 0 HG21 VAL A 38 70.565 -36.281 14.988 1.00 33.31 H new ATOM 0 HG22 VAL A 38 70.064 -35.043 13.812 1.00 33.31 H new ATOM 0 HG23 VAL A 38 71.680 -35.779 13.696 1.00 33.31 H new ATOM 532 N ILE A 39 71.044 -32.816 12.228 1.00 70.32 N ATOM 533 CA ILE A 39 70.044 -32.416 11.245 1.00 14.05 C ATOM 534 C ILE A 39 69.950 -33.433 10.112 1.00 10.21 C ATOM 535 O ILE A 39 70.939 -34.075 9.758 1.00 52.20 O ATOM 536 CB ILE A 39 70.360 -31.031 10.652 1.00 53.52 C ATOM 537 CG1 ILE A 39 69.185 -30.533 9.808 1.00 44.31 C ATOM 538 CG2 ILE A 39 71.631 -31.089 9.817 1.00 74.10 C ATOM 539 CD1 ILE A 39 69.390 -30.714 8.320 1.00 34.04 C ATOM 0 H ILE A 39 71.907 -33.184 11.827 1.00 70.32 H new ATOM 0 HA ILE A 39 69.089 -32.368 11.768 1.00 14.05 H new ATOM 0 HB ILE A 39 70.518 -30.330 11.471 1.00 53.52 H new ATOM 0 HG12 ILE A 39 68.281 -31.063 10.109 1.00 44.31 H new ATOM 0 HG13 ILE A 39 69.020 -29.476 10.018 1.00 44.31 H new ATOM 0 HG21 ILE A 39 71.841 -30.102 9.405 1.00 74.10 H new ATOM 0 HG22 ILE A 39 72.464 -31.405 10.444 1.00 74.10 H new ATOM 0 HG23 ILE A 39 71.499 -31.802 9.003 1.00 74.10 H new ATOM 0 HD11 ILE A 39 68.518 -30.339 7.784 1.00 34.04 H new ATOM 0 HD12 ILE A 39 70.275 -30.161 8.005 1.00 34.04 H new ATOM 0 HD13 ILE A 39 69.525 -31.772 8.097 1.00 34.04 H new ATOM 551 N ARG A 40 68.755 -33.573 9.547 1.00 51.55 N ATOM 552 CA ARG A 40 68.533 -34.510 8.453 1.00 70.22 C ATOM 553 C ARG A 40 68.295 -33.768 7.141 1.00 14.51 C ATOM 554 O ARG A 40 67.155 -33.595 6.712 1.00 52.13 O ATOM 555 CB ARG A 40 67.339 -35.414 8.764 1.00 31.13 C ATOM 556 CG ARG A 40 67.507 -36.229 10.037 1.00 65.43 C ATOM 557 CD ARG A 40 66.178 -36.791 10.518 1.00 20.40 C ATOM 558 NE ARG A 40 66.060 -36.750 11.973 1.00 61.10 N ATOM 559 CZ ARG A 40 64.903 -36.840 12.619 1.00 13.43 C ATOM 560 NH1 ARG A 40 63.771 -36.977 11.944 1.00 1.15 N ATOM 561 NH2 ARG A 40 64.878 -36.795 13.945 1.00 15.10 N ATOM 0 H ARG A 40 67.926 -33.049 9.829 1.00 51.55 H new ATOM 0 HA ARG A 40 69.427 -35.124 8.346 1.00 70.22 H new ATOM 0 HB2 ARG A 40 66.442 -34.800 8.851 1.00 31.13 H new ATOM 0 HB3 ARG A 40 67.180 -36.093 7.926 1.00 31.13 H new ATOM 0 HG2 ARG A 40 68.205 -37.046 9.858 1.00 65.43 H new ATOM 0 HG3 ARG A 40 67.942 -35.603 10.816 1.00 65.43 H new ATOM 0 HD2 ARG A 40 65.362 -36.223 10.072 1.00 20.40 H new ATOM 0 HD3 ARG A 40 66.074 -37.820 10.175 1.00 20.40 H new ATOM 0 HE ARG A 40 66.913 -36.647 12.523 1.00 61.10 H new ATOM 0 HH11 ARG A 40 63.786 -37.014 10.925 1.00 1.15 H new ATOM 0 HH12 ARG A 40 62.884 -37.046 12.444 1.00 1.15 H new ATOM 0 HH21 ARG A 40 65.747 -36.691 14.468 1.00 15.10 H new ATOM 0 HH22 ARG A 40 63.989 -36.864 14.441 1.00 15.10 H new ATOM 575 N GLY A 41 69.380 -33.333 6.508 1.00 72.52 N ATOM 576 CA GLY A 41 69.268 -32.614 5.253 1.00 4.23 C ATOM 577 C GLY A 41 70.156 -33.197 4.170 1.00 70.35 C ATOM 578 O GLY A 41 71.225 -33.735 4.458 1.00 22.54 O ATOM 0 H GLY A 41 70.335 -33.466 6.842 1.00 72.52 H new ATOM 0 HA2 GLY A 41 68.231 -32.633 4.918 1.00 4.23 H new ATOM 0 HA3 GLY A 41 69.532 -31.569 5.412 1.00 4.23 H new ATOM 582 N VAL A 42 69.713 -33.089 2.921 1.00 52.14 N ATOM 583 CA VAL A 42 70.475 -33.609 1.792 1.00 53.42 C ATOM 584 C VAL A 42 70.679 -32.537 0.727 1.00 1.24 C ATOM 585 O VAL A 42 69.748 -31.815 0.372 1.00 72.53 O ATOM 586 CB VAL A 42 69.775 -34.824 1.156 1.00 3.32 C ATOM 587 CG1 VAL A 42 68.645 -34.372 0.245 1.00 2.12 C ATOM 588 CG2 VAL A 42 70.779 -35.676 0.393 1.00 73.22 C ATOM 0 H VAL A 42 68.830 -32.646 2.666 1.00 52.14 H new ATOM 0 HA VAL A 42 71.445 -33.920 2.180 1.00 53.42 H new ATOM 0 HB VAL A 42 69.346 -35.433 1.951 1.00 3.32 H new ATOM 0 HG11 VAL A 42 68.162 -35.244 -0.196 1.00 2.12 H new ATOM 0 HG12 VAL A 42 67.915 -33.807 0.824 1.00 2.12 H new ATOM 0 HG13 VAL A 42 69.047 -33.741 -0.548 1.00 2.12 H new ATOM 0 HG21 VAL A 42 70.268 -36.531 -0.050 1.00 73.22 H new ATOM 0 HG22 VAL A 42 71.238 -35.079 -0.395 1.00 73.22 H new ATOM 0 HG23 VAL A 42 71.551 -36.029 1.077 1.00 73.22 H new ATOM 598 N PHE A 43 71.904 -32.441 0.220 1.00 63.40 N ATOM 599 CA PHE A 43 72.231 -31.458 -0.806 1.00 73.14 C ATOM 600 C PHE A 43 72.075 -32.055 -2.202 1.00 53.42 C ATOM 601 O PHE A 43 72.622 -33.117 -2.497 1.00 32.44 O ATOM 602 CB PHE A 43 73.660 -30.945 -0.614 1.00 1.20 C ATOM 603 CG PHE A 43 74.698 -31.800 -1.284 1.00 31.10 C ATOM 604 CD1 PHE A 43 74.982 -33.069 -0.807 1.00 51.01 C ATOM 605 CD2 PHE A 43 75.388 -31.334 -2.391 1.00 40.25 C ATOM 606 CE1 PHE A 43 75.938 -33.857 -1.421 1.00 31.32 C ATOM 607 CE2 PHE A 43 76.345 -32.117 -3.010 1.00 33.43 C ATOM 608 CZ PHE A 43 76.618 -33.381 -2.525 1.00 54.33 C ATOM 0 H PHE A 43 72.686 -33.032 0.503 1.00 63.40 H new ATOM 0 HA PHE A 43 71.537 -30.623 -0.708 1.00 73.14 H new ATOM 0 HB2 PHE A 43 73.729 -29.930 -1.005 1.00 1.20 H new ATOM 0 HB3 PHE A 43 73.878 -30.891 0.453 1.00 1.20 H new ATOM 0 HD1 PHE A 43 74.451 -33.447 0.054 1.00 51.01 H new ATOM 0 HD2 PHE A 43 75.176 -30.347 -2.775 1.00 40.25 H new ATOM 0 HE1 PHE A 43 76.153 -34.844 -1.038 1.00 31.32 H new ATOM 0 HE2 PHE A 43 76.878 -31.741 -3.871 1.00 33.43 H new ATOM 0 HZ PHE A 43 77.362 -33.996 -3.008 1.00 54.33 H new ATOM 618 N ASP A 44 71.327 -31.364 -3.053 1.00 63.35 N ATOM 619 CA ASP A 44 71.099 -31.824 -4.419 1.00 14.44 C ATOM 620 C ASP A 44 71.722 -30.863 -5.427 1.00 32.45 C ATOM 621 O ASP A 44 71.429 -29.668 -5.423 1.00 13.12 O ATOM 622 CB ASP A 44 69.600 -31.966 -4.688 1.00 51.24 C ATOM 623 CG ASP A 44 68.927 -32.926 -3.726 1.00 64.13 C ATOM 624 OD1 ASP A 44 69.274 -34.125 -3.744 1.00 22.11 O ATOM 625 OD2 ASP A 44 68.054 -32.476 -2.955 1.00 21.14 O ATOM 0 H ASP A 44 70.868 -30.483 -2.822 1.00 63.35 H new ATOM 0 HA ASP A 44 71.574 -32.798 -4.533 1.00 14.44 H new ATOM 0 HB2 ASP A 44 69.126 -30.988 -4.611 1.00 51.24 H new ATOM 0 HB3 ASP A 44 69.449 -32.314 -5.710 1.00 51.24 H new ATOM 630 N ASP A 45 72.582 -31.395 -6.289 1.00 63.24 N ATOM 631 CA ASP A 45 73.246 -30.585 -7.304 1.00 14.05 C ATOM 632 C ASP A 45 72.648 -30.845 -8.683 1.00 4.51 C ATOM 633 O ASP A 45 72.117 -31.919 -8.964 1.00 15.52 O ATOM 634 CB ASP A 45 74.747 -30.881 -7.320 1.00 61.53 C ATOM 635 CG ASP A 45 75.580 -29.664 -6.964 1.00 32.04 C ATOM 636 OD1 ASP A 45 75.484 -29.198 -5.810 1.00 0.33 O ATOM 637 OD2 ASP A 45 76.327 -29.180 -7.839 1.00 22.10 O ATOM 0 H ASP A 45 72.835 -32.383 -6.305 1.00 63.24 H new ATOM 0 HA ASP A 45 73.093 -29.535 -7.054 1.00 14.05 H new ATOM 0 HB2 ASP A 45 74.964 -31.685 -6.616 1.00 61.53 H new ATOM 0 HB3 ASP A 45 75.034 -31.238 -8.309 1.00 61.53 H new ATOM 877 N PRO A 63 73.057 -25.974 -4.261 1.00 63.31 N ATOM 878 CA PRO A 63 72.264 -27.206 -4.305 1.00 3.22 C ATOM 879 C PRO A 63 70.948 -27.076 -3.546 1.00 12.50 C ATOM 880 O PRO A 63 70.636 -26.016 -3.003 1.00 41.41 O ATOM 881 CB PRO A 63 73.173 -28.236 -3.630 1.00 34.41 C ATOM 882 CG PRO A 63 74.057 -27.435 -2.738 1.00 64.21 C ATOM 883 CD PRO A 63 74.268 -26.121 -3.438 1.00 45.43 C ATOM 0 HA PRO A 63 71.978 -27.472 -5.323 1.00 3.22 H new ATOM 0 HB2 PRO A 63 72.593 -28.964 -3.063 1.00 34.41 H new ATOM 0 HB3 PRO A 63 73.753 -28.794 -4.365 1.00 34.41 H new ATOM 0 HG2 PRO A 63 73.596 -27.288 -1.761 1.00 64.21 H new ATOM 0 HG3 PRO A 63 75.006 -27.944 -2.569 1.00 64.21 H new ATOM 0 HD2 PRO A 63 74.374 -25.300 -2.728 1.00 45.43 H new ATOM 0 HD3 PRO A 63 75.170 -26.132 -4.049 1.00 45.43 H new ATOM 891 N SER A 64 70.181 -28.160 -3.509 1.00 5.25 N ATOM 892 CA SER A 64 68.897 -28.166 -2.818 1.00 12.33 C ATOM 893 C SER A 64 68.986 -28.955 -1.515 1.00 73.44 C ATOM 894 O SER A 64 69.726 -29.934 -1.417 1.00 53.15 O ATOM 895 CB SER A 64 67.813 -28.764 -3.717 1.00 13.22 C ATOM 896 OG SER A 64 66.530 -28.286 -3.355 1.00 74.44 O ATOM 0 H SER A 64 70.426 -29.046 -3.950 1.00 5.25 H new ATOM 0 HA SER A 64 68.634 -27.135 -2.581 1.00 12.33 H new ATOM 0 HB2 SER A 64 68.019 -28.511 -4.757 1.00 13.22 H new ATOM 0 HB3 SER A 64 67.834 -29.851 -3.643 1.00 13.22 H new ATOM 0 HG SER A 64 65.855 -28.681 -3.945 1.00 74.44 H new ATOM 902 N LEU A 65 68.226 -28.520 -0.516 1.00 12.23 N ATOM 903 CA LEU A 65 68.217 -29.184 0.784 1.00 21.34 C ATOM 904 C LEU A 65 66.862 -29.832 1.055 1.00 24.12 C ATOM 905 O LEU A 65 65.828 -29.165 1.028 1.00 24.23 O ATOM 906 CB LEU A 65 68.547 -28.184 1.891 1.00 54.13 C ATOM 907 CG LEU A 65 67.699 -28.282 3.161 1.00 4.23 C ATOM 908 CD1 LEU A 65 67.976 -29.589 3.887 1.00 23.12 C ATOM 909 CD2 LEU A 65 67.966 -27.095 4.074 1.00 30.22 C ATOM 0 H LEU A 65 67.608 -27.711 -0.581 1.00 12.23 H new ATOM 0 HA LEU A 65 68.977 -29.966 0.771 1.00 21.34 H new ATOM 0 HB2 LEU A 65 69.594 -28.311 2.167 1.00 54.13 H new ATOM 0 HB3 LEU A 65 68.443 -27.177 1.486 1.00 54.13 H new ATOM 0 HG LEU A 65 66.647 -28.264 2.875 1.00 4.23 H new ATOM 0 HD11 LEU A 65 67.364 -29.642 4.788 1.00 23.12 H new ATOM 0 HD12 LEU A 65 67.733 -30.427 3.234 1.00 23.12 H new ATOM 0 HD13 LEU A 65 69.030 -29.637 4.161 1.00 23.12 H new ATOM 0 HD21 LEU A 65 67.354 -27.182 4.972 1.00 30.22 H new ATOM 0 HD22 LEU A 65 69.020 -27.080 4.353 1.00 30.22 H new ATOM 0 HD23 LEU A 65 67.716 -26.171 3.552 1.00 30.22 H new ATOM 921 N PHE A 66 66.877 -31.134 1.318 1.00 24.14 N ATOM 922 CA PHE A 66 65.651 -31.872 1.595 1.00 21.11 C ATOM 923 C PHE A 66 65.498 -32.130 3.091 1.00 10.35 C ATOM 924 O PHE A 66 66.250 -32.908 3.679 1.00 71.32 O ATOM 925 CB PHE A 66 65.645 -33.200 0.834 1.00 53.53 C ATOM 926 CG PHE A 66 64.288 -33.837 0.749 1.00 62.44 C ATOM 927 CD1 PHE A 66 63.745 -34.491 1.843 1.00 23.03 C ATOM 928 CD2 PHE A 66 63.555 -33.780 -0.426 1.00 51.00 C ATOM 929 CE1 PHE A 66 62.496 -35.078 1.767 1.00 11.44 C ATOM 930 CE2 PHE A 66 62.305 -34.365 -0.506 1.00 62.21 C ATOM 931 CZ PHE A 66 61.775 -35.016 0.591 1.00 72.14 C ATOM 0 H PHE A 66 67.725 -31.700 1.345 1.00 24.14 H new ATOM 0 HA PHE A 66 64.809 -31.266 1.260 1.00 21.11 H new ATOM 0 HB2 PHE A 66 66.023 -33.033 -0.175 1.00 53.53 H new ATOM 0 HB3 PHE A 66 66.332 -33.892 1.321 1.00 53.53 H new ATOM 0 HD1 PHE A 66 64.304 -34.543 2.766 1.00 23.03 H new ATOM 0 HD2 PHE A 66 63.964 -33.274 -1.288 1.00 51.00 H new ATOM 0 HE1 PHE A 66 62.084 -35.585 2.627 1.00 11.44 H new ATOM 0 HE2 PHE A 66 61.743 -34.313 -1.427 1.00 62.21 H new ATOM 0 HZ PHE A 66 60.799 -35.475 0.529 1.00 72.14 H new ATOM 941 N VAL A 67 64.519 -31.471 3.703 1.00 24.12 N ATOM 942 CA VAL A 67 64.265 -31.628 5.129 1.00 52.41 C ATOM 943 C VAL A 67 62.770 -31.644 5.425 1.00 25.54 C ATOM 944 O VAL A 67 61.953 -31.329 4.559 1.00 25.00 O ATOM 945 CB VAL A 67 64.927 -30.501 5.945 1.00 1.11 C ATOM 946 CG1 VAL A 67 66.364 -30.860 6.286 1.00 2.11 C ATOM 947 CG2 VAL A 67 64.864 -29.185 5.182 1.00 34.13 C ATOM 0 H VAL A 67 63.888 -30.822 3.232 1.00 24.12 H new ATOM 0 HA VAL A 67 64.700 -32.583 5.423 1.00 52.41 H new ATOM 0 HB VAL A 67 64.378 -30.381 6.879 1.00 1.11 H new ATOM 0 HG11 VAL A 67 66.814 -30.052 6.862 1.00 2.11 H new ATOM 0 HG12 VAL A 67 66.380 -31.778 6.874 1.00 2.11 H new ATOM 0 HG13 VAL A 67 66.930 -31.009 5.366 1.00 2.11 H new ATOM 0 HG21 VAL A 67 65.336 -28.399 5.772 1.00 34.13 H new ATOM 0 HG22 VAL A 67 65.388 -29.290 4.232 1.00 34.13 H new ATOM 0 HG23 VAL A 67 63.823 -28.922 4.995 1.00 34.13 H new ATOM 957 N ARG A 68 62.419 -32.012 6.652 1.00 34.41 N ATOM 958 CA ARG A 68 61.020 -32.070 7.061 1.00 62.02 C ATOM 959 C ARG A 68 60.626 -30.809 7.825 1.00 73.52 C ATOM 960 O ARG A 68 61.416 -30.262 8.594 1.00 2.20 O ATOM 961 CB ARG A 68 60.771 -33.305 7.930 1.00 64.10 C ATOM 962 CG ARG A 68 59.679 -33.108 8.969 1.00 24.10 C ATOM 963 CD ARG A 68 59.160 -34.439 9.489 1.00 11.14 C ATOM 964 NE ARG A 68 58.560 -35.245 8.429 1.00 1.42 N ATOM 965 CZ ARG A 68 57.686 -36.220 8.652 1.00 73.10 C ATOM 966 NH1 ARG A 68 57.309 -36.507 9.892 1.00 65.32 N ATOM 967 NH2 ARG A 68 57.184 -36.908 7.635 1.00 12.25 N ATOM 0 H ARG A 68 63.083 -32.274 7.380 1.00 34.41 H new ATOM 0 HA ARG A 68 60.406 -32.137 6.163 1.00 62.02 H new ATOM 0 HB2 ARG A 68 60.502 -34.143 7.287 1.00 64.10 H new ATOM 0 HB3 ARG A 68 61.698 -33.576 8.436 1.00 64.10 H new ATOM 0 HG2 ARG A 68 60.067 -32.518 9.799 1.00 24.10 H new ATOM 0 HG3 ARG A 68 58.857 -32.541 8.532 1.00 24.10 H new ATOM 0 HD2 ARG A 68 59.979 -34.994 9.946 1.00 11.14 H new ATOM 0 HD3 ARG A 68 58.421 -34.260 10.270 1.00 11.14 H new ATOM 0 HE ARG A 68 58.827 -35.048 7.464 1.00 1.42 H new ATOM 0 HH11 ARG A 68 57.691 -35.978 10.676 1.00 65.32 H new ATOM 0 HH12 ARG A 68 56.638 -37.256 10.060 1.00 65.32 H new ATOM 0 HH21 ARG A 68 57.469 -36.689 6.681 1.00 12.25 H new ATOM 0 HH22 ARG A 68 56.513 -37.657 7.807 1.00 12.25 H new ATOM 981 N THR A 69 59.395 -30.353 7.609 1.00 11.13 N ATOM 982 CA THR A 69 58.896 -29.157 8.275 1.00 23.44 C ATOM 983 C THR A 69 59.326 -29.121 9.737 1.00 25.04 C ATOM 984 O THR A 69 59.763 -28.086 10.239 1.00 52.44 O ATOM 985 CB THR A 69 57.359 -29.074 8.202 1.00 74.41 C ATOM 986 OG1 THR A 69 56.867 -28.198 9.223 1.00 3.04 O ATOM 987 CG2 THR A 69 56.734 -30.452 8.364 1.00 52.20 C ATOM 0 H THR A 69 58.726 -30.795 6.978 1.00 11.13 H new ATOM 0 HA THR A 69 59.325 -28.302 7.752 1.00 23.44 H new ATOM 0 HB THR A 69 57.084 -28.681 7.223 1.00 74.41 H new ATOM 0 HG1 THR A 69 55.890 -28.149 9.169 1.00 3.04 H new ATOM 0 HG21 THR A 69 55.649 -30.368 8.309 1.00 52.20 H new ATOM 0 HG22 THR A 69 57.088 -31.108 7.569 1.00 52.20 H new ATOM 0 HG23 THR A 69 57.017 -30.869 9.331 1.00 52.20 H new ATOM 995 N ASP A 70 59.201 -30.257 10.414 1.00 11.21 N ATOM 996 CA ASP A 70 59.579 -30.356 11.818 1.00 51.10 C ATOM 997 C ASP A 70 61.083 -30.168 11.991 1.00 64.44 C ATOM 998 O ASP A 70 61.527 -29.338 12.784 1.00 14.02 O ATOM 999 CB ASP A 70 59.154 -31.710 12.389 1.00 41.21 C ATOM 1000 CG ASP A 70 57.649 -31.838 12.516 1.00 70.51 C ATOM 1001 OD1 ASP A 70 57.068 -31.171 13.398 1.00 62.33 O ATOM 1002 OD2 ASP A 70 57.051 -32.604 11.732 1.00 41.05 O ATOM 0 H ASP A 70 58.841 -31.123 10.013 1.00 11.21 H new ATOM 0 HA ASP A 70 59.066 -29.563 12.363 1.00 51.10 H new ATOM 0 HB2 ASP A 70 59.531 -32.506 11.747 1.00 41.21 H new ATOM 0 HB3 ASP A 70 59.611 -31.848 13.369 1.00 41.21 H new ATOM 1007 N GLU A 71 61.862 -30.943 11.242 1.00 61.30 N ATOM 1008 CA GLU A 71 63.315 -30.862 11.314 1.00 51.44 C ATOM 1009 C GLU A 71 63.794 -29.434 11.065 1.00 21.31 C ATOM 1010 O GLU A 71 64.725 -28.957 11.714 1.00 11.11 O ATOM 1011 CB GLU A 71 63.953 -31.809 10.296 1.00 31.14 C ATOM 1012 CG GLU A 71 64.458 -33.106 10.905 1.00 11.53 C ATOM 1013 CD GLU A 71 65.629 -32.891 11.847 1.00 63.50 C ATOM 1014 OE1 GLU A 71 66.020 -31.722 12.047 1.00 73.11 O ATOM 1015 OE2 GLU A 71 66.152 -33.890 12.380 1.00 52.41 O ATOM 0 H GLU A 71 61.510 -31.634 10.579 1.00 61.30 H new ATOM 0 HA GLU A 71 63.619 -31.160 12.317 1.00 51.44 H new ATOM 0 HB2 GLU A 71 63.223 -32.041 9.521 1.00 31.14 H new ATOM 0 HB3 GLU A 71 64.784 -31.299 9.808 1.00 31.14 H new ATOM 0 HG2 GLU A 71 63.645 -33.590 11.446 1.00 11.53 H new ATOM 0 HG3 GLU A 71 64.758 -33.785 10.107 1.00 11.53 H new ATOM 1022 N VAL A 72 63.150 -28.757 10.120 1.00 63.43 N ATOM 1023 CA VAL A 72 63.508 -27.384 9.783 1.00 13.41 C ATOM 1024 C VAL A 72 62.860 -26.396 10.747 1.00 53.20 C ATOM 1025 O VAL A 72 63.329 -25.268 10.904 1.00 13.42 O ATOM 1026 CB VAL A 72 63.088 -27.030 8.345 1.00 23.05 C ATOM 1027 CG1 VAL A 72 61.572 -27.008 8.220 1.00 51.04 C ATOM 1028 CG2 VAL A 72 63.685 -25.695 7.929 1.00 45.21 C ATOM 0 H VAL A 72 62.377 -29.137 9.574 1.00 63.43 H new ATOM 0 HA VAL A 72 64.592 -27.311 9.865 1.00 13.41 H new ATOM 0 HB VAL A 72 63.472 -27.798 7.674 1.00 23.05 H new ATOM 0 HG11 VAL A 72 61.295 -26.756 7.196 1.00 51.04 H new ATOM 0 HG12 VAL A 72 61.172 -27.990 8.473 1.00 51.04 H new ATOM 0 HG13 VAL A 72 61.162 -26.262 8.901 1.00 51.04 H new ATOM 0 HG21 VAL A 72 63.378 -25.461 6.910 1.00 45.21 H new ATOM 0 HG22 VAL A 72 63.334 -24.914 8.603 1.00 45.21 H new ATOM 0 HG23 VAL A 72 64.772 -25.752 7.976 1.00 45.21 H new ATOM 1038 N ARG A 73 61.781 -26.827 11.391 1.00 52.14 N ATOM 1039 CA ARG A 73 61.068 -25.980 12.341 1.00 61.13 C ATOM 1040 C ARG A 73 61.920 -25.715 13.579 1.00 5.03 C ATOM 1041 O ARG A 73 61.957 -24.596 14.090 1.00 73.30 O ATOM 1042 CB ARG A 73 59.747 -26.634 12.747 1.00 75.23 C ATOM 1043 CG ARG A 73 59.038 -25.917 13.885 1.00 60.00 C ATOM 1044 CD ARG A 73 59.279 -26.610 15.217 1.00 33.02 C ATOM 1045 NE ARG A 73 58.227 -26.314 16.186 1.00 52.15 N ATOM 1046 CZ ARG A 73 58.182 -26.839 17.405 1.00 73.01 C ATOM 1047 NH1 ARG A 73 59.124 -27.684 17.802 1.00 41.13 N ATOM 1048 NH2 ARG A 73 57.193 -26.521 18.231 1.00 2.01 N ATOM 0 H ARG A 73 61.381 -27.758 11.273 1.00 52.14 H new ATOM 0 HA ARG A 73 60.859 -25.027 11.855 1.00 61.13 H new ATOM 0 HB2 ARG A 73 59.086 -26.666 11.881 1.00 75.23 H new ATOM 0 HB3 ARG A 73 59.937 -27.666 13.041 1.00 75.23 H new ATOM 0 HG2 ARG A 73 59.388 -24.886 13.941 1.00 60.00 H new ATOM 0 HG3 ARG A 73 57.968 -25.879 13.682 1.00 60.00 H new ATOM 0 HD2 ARG A 73 59.335 -27.687 15.060 1.00 33.02 H new ATOM 0 HD3 ARG A 73 60.242 -26.296 15.620 1.00 33.02 H new ATOM 0 HE ARG A 73 57.486 -25.669 15.911 1.00 52.15 H new ATOM 0 HH11 ARG A 73 59.886 -27.932 17.170 1.00 41.13 H new ATOM 0 HH12 ARG A 73 59.087 -28.086 18.739 1.00 41.13 H new ATOM 0 HH21 ARG A 73 56.466 -25.872 17.930 1.00 2.01 H new ATOM 0 HH22 ARG A 73 57.160 -26.925 19.167 1.00 2.01 H new ATOM 1062 N GLN A 74 62.602 -26.752 14.055 1.00 71.12 N ATOM 1063 CA GLN A 74 63.452 -26.630 15.233 1.00 60.14 C ATOM 1064 C GLN A 74 64.518 -25.560 15.028 1.00 63.43 C ATOM 1065 O GLN A 74 65.084 -25.038 15.990 1.00 32.02 O ATOM 1066 CB GLN A 74 64.114 -27.971 15.551 1.00 10.24 C ATOM 1067 CG GLN A 74 63.125 -29.066 15.921 1.00 2.03 C ATOM 1068 CD GLN A 74 63.678 -30.457 15.683 1.00 10.43 C ATOM 1069 OE1 GLN A 74 64.632 -30.637 14.925 1.00 34.13 O ATOM 1070 NE2 GLN A 74 63.082 -31.450 16.331 1.00 20.11 N ATOM 0 H GLN A 74 62.582 -27.685 13.643 1.00 71.12 H new ATOM 0 HA GLN A 74 62.824 -26.334 16.073 1.00 60.14 H new ATOM 0 HB2 GLN A 74 64.694 -28.294 14.687 1.00 10.24 H new ATOM 0 HB3 GLN A 74 64.816 -27.834 16.373 1.00 10.24 H new ATOM 0 HG2 GLN A 74 62.851 -28.963 16.971 1.00 2.03 H new ATOM 0 HG3 GLN A 74 62.212 -28.938 15.339 1.00 2.03 H new ATOM 0 HE21 GLN A 74 62.295 -31.255 16.949 1.00 20.11 H new ATOM 0 HE22 GLN A 74 63.411 -32.408 16.211 1.00 20.11 H new ATOM 1079 N LEU A 75 64.788 -25.235 13.769 1.00 64.20 N ATOM 1080 CA LEU A 75 65.788 -24.225 13.436 1.00 21.22 C ATOM 1081 C LEU A 75 65.123 -22.925 12.998 1.00 73.43 C ATOM 1082 O LEU A 75 63.898 -22.800 13.030 1.00 24.21 O ATOM 1083 CB LEU A 75 66.710 -24.738 12.328 1.00 21.34 C ATOM 1084 CG LEU A 75 67.628 -25.902 12.704 1.00 34.14 C ATOM 1085 CD1 LEU A 75 66.914 -27.230 12.505 1.00 1.34 C ATOM 1086 CD2 LEU A 75 68.910 -25.856 11.886 1.00 54.43 C ATOM 0 H LEU A 75 64.329 -25.656 12.961 1.00 64.20 H new ATOM 0 HA LEU A 75 66.380 -24.026 14.330 1.00 21.22 H new ATOM 0 HB2 LEU A 75 66.094 -25.046 11.483 1.00 21.34 H new ATOM 0 HB3 LEU A 75 67.329 -23.909 11.985 1.00 21.34 H new ATOM 0 HG LEU A 75 67.890 -25.808 13.758 1.00 34.14 H new ATOM 0 HD11 LEU A 75 67.582 -28.047 12.777 1.00 1.34 H new ATOM 0 HD12 LEU A 75 66.025 -27.263 13.135 1.00 1.34 H new ATOM 0 HD13 LEU A 75 66.622 -27.333 11.460 1.00 1.34 H new ATOM 0 HD21 LEU A 75 69.551 -26.692 12.167 1.00 54.43 H new ATOM 0 HD22 LEU A 75 68.668 -25.925 10.826 1.00 54.43 H new ATOM 0 HD23 LEU A 75 69.431 -24.918 12.079 1.00 54.43 H new ATOM 1098 N ARG A 76 65.938 -21.958 12.588 1.00 64.30 N ATOM 1099 CA ARG A 76 65.429 -20.667 12.142 1.00 61.20 C ATOM 1100 C ARG A 76 65.654 -20.480 10.644 1.00 35.25 C ATOM 1101 O ARG A 76 66.191 -21.362 9.973 1.00 52.32 O ATOM 1102 CB ARG A 76 66.106 -19.533 12.915 1.00 2.24 C ATOM 1103 CG ARG A 76 67.544 -19.284 12.493 1.00 1.31 C ATOM 1104 CD ARG A 76 67.729 -17.876 11.946 1.00 53.30 C ATOM 1105 NE ARG A 76 69.010 -17.718 11.263 1.00 34.00 N ATOM 1106 CZ ARG A 76 70.175 -17.639 11.896 1.00 75.24 C ATOM 1107 NH1 ARG A 76 70.220 -17.703 13.220 1.00 23.12 N ATOM 1108 NH2 ARG A 76 71.298 -17.495 11.205 1.00 44.52 N ATOM 0 H ARG A 76 66.954 -22.045 12.556 1.00 64.30 H new ATOM 0 HA ARG A 76 64.357 -20.642 12.337 1.00 61.20 H new ATOM 0 HB2 ARG A 76 65.532 -18.617 12.777 1.00 2.24 H new ATOM 0 HB3 ARG A 76 66.084 -19.766 13.980 1.00 2.24 H new ATOM 0 HG2 ARG A 76 68.206 -19.434 13.346 1.00 1.31 H new ATOM 0 HG3 ARG A 76 67.833 -20.011 11.734 1.00 1.31 H new ATOM 0 HD2 ARG A 76 66.919 -17.647 11.254 1.00 53.30 H new ATOM 0 HD3 ARG A 76 67.663 -17.158 12.763 1.00 53.30 H new ATOM 0 HE ARG A 76 69.010 -17.665 10.244 1.00 34.00 H new ATOM 0 HH11 ARG A 76 69.358 -17.813 13.755 1.00 23.12 H new ATOM 0 HH12 ARG A 76 71.116 -17.642 13.703 1.00 23.12 H new ATOM 0 HH21 ARG A 76 71.267 -17.445 10.187 1.00 44.52 H new ATOM 0 HH22 ARG A 76 72.192 -17.434 11.692 1.00 44.52 H new ATOM 1122 N ARG A 77 65.238 -19.329 10.127 1.00 12.33 N ATOM 1123 CA ARG A 77 65.393 -19.029 8.709 1.00 21.11 C ATOM 1124 C ARG A 77 66.806 -18.539 8.408 1.00 11.00 C ATOM 1125 O ARG A 77 67.228 -17.490 8.894 1.00 13.02 O ATOM 1126 CB ARG A 77 64.373 -17.975 8.275 1.00 71.15 C ATOM 1127 CG ARG A 77 62.982 -18.536 8.033 1.00 54.24 C ATOM 1128 CD ARG A 77 61.904 -17.584 8.528 1.00 22.43 C ATOM 1129 NE ARG A 77 61.129 -17.017 7.427 1.00 30.50 N ATOM 1130 CZ ARG A 77 61.534 -15.983 6.699 1.00 40.34 C ATOM 1131 NH1 ARG A 77 62.701 -15.406 6.953 1.00 51.41 N ATOM 1132 NH2 ARG A 77 60.773 -15.522 5.715 1.00 0.25 N ATOM 0 H ARG A 77 64.791 -18.589 10.669 1.00 12.33 H new ATOM 0 HA ARG A 77 65.218 -19.947 8.148 1.00 21.11 H new ATOM 0 HB2 ARG A 77 64.315 -17.201 9.040 1.00 71.15 H new ATOM 0 HB3 ARG A 77 64.726 -17.495 7.362 1.00 71.15 H new ATOM 0 HG2 ARG A 77 62.844 -18.722 6.968 1.00 54.24 H new ATOM 0 HG3 ARG A 77 62.882 -19.496 8.540 1.00 54.24 H new ATOM 0 HD2 ARG A 77 61.236 -18.114 9.207 1.00 22.43 H new ATOM 0 HD3 ARG A 77 62.366 -16.779 9.099 1.00 22.43 H new ATOM 0 HE ARG A 77 60.227 -17.439 7.205 1.00 30.50 H new ATOM 0 HH11 ARG A 77 63.289 -15.756 7.709 1.00 51.41 H new ATOM 0 HH12 ARG A 77 63.010 -14.612 6.392 1.00 51.41 H new ATOM 0 HH21 ARG A 77 59.874 -15.962 5.516 1.00 0.25 H new ATOM 0 HH22 ARG A 77 61.086 -14.728 5.157 1.00 0.25 H new ATOM 1146 N GLY A 78 67.535 -19.307 7.603 1.00 62.35 N ATOM 1147 CA GLY A 78 68.893 -18.935 7.251 1.00 70.23 C ATOM 1148 C GLY A 78 69.927 -19.814 7.925 1.00 52.51 C ATOM 1149 O GLY A 78 71.092 -19.433 8.044 1.00 15.34 O ATOM 0 H GLY A 78 67.209 -20.180 7.189 1.00 62.35 H new ATOM 0 HA2 GLY A 78 69.015 -18.999 6.170 1.00 70.23 H new ATOM 0 HA3 GLY A 78 69.066 -17.896 7.531 1.00 70.23 H new ATOM 1153 N ASP A 79 69.502 -20.992 8.368 1.00 70.23 N ATOM 1154 CA ASP A 79 70.400 -21.928 9.034 1.00 74.23 C ATOM 1155 C ASP A 79 71.158 -22.773 8.015 1.00 31.32 C ATOM 1156 O ASP A 79 70.572 -23.609 7.326 1.00 73.23 O ATOM 1157 CB ASP A 79 69.614 -22.834 9.984 1.00 10.00 C ATOM 1158 CG ASP A 79 69.958 -22.586 11.439 1.00 14.23 C ATOM 1159 OD1 ASP A 79 69.348 -21.682 12.047 1.00 21.10 O ATOM 1160 OD2 ASP A 79 70.839 -23.295 11.969 1.00 54.43 O ATOM 0 H ASP A 79 68.541 -21.321 8.278 1.00 70.23 H new ATOM 0 HA ASP A 79 71.124 -21.351 9.610 1.00 74.23 H new ATOM 0 HB2 ASP A 79 68.546 -22.674 9.834 1.00 10.00 H new ATOM 0 HB3 ASP A 79 69.817 -23.876 9.738 1.00 10.00 H new ATOM 1165 N THR A 80 72.465 -22.549 7.923 1.00 33.12 N ATOM 1166 CA THR A 80 73.303 -23.288 6.987 1.00 71.14 C ATOM 1167 C THR A 80 73.791 -24.596 7.600 1.00 43.20 C ATOM 1168 O THR A 80 74.597 -24.595 8.531 1.00 61.12 O ATOM 1169 CB THR A 80 74.521 -22.454 6.546 1.00 13.24 C ATOM 1170 OG1 THR A 80 75.566 -23.321 6.088 1.00 63.55 O ATOM 1171 CG2 THR A 80 75.033 -21.596 7.692 1.00 51.41 C ATOM 0 H THR A 80 72.966 -21.861 8.486 1.00 33.12 H new ATOM 0 HA THR A 80 72.687 -23.507 6.115 1.00 71.14 H new ATOM 0 HB THR A 80 74.210 -21.797 5.733 1.00 13.24 H new ATOM 0 HG1 THR A 80 76.397 -22.810 5.993 1.00 63.55 H new ATOM 0 HG21 THR A 80 75.893 -21.016 7.357 1.00 51.41 H new ATOM 0 HG22 THR A 80 74.244 -20.919 8.020 1.00 51.41 H new ATOM 0 HG23 THR A 80 75.329 -22.237 8.522 1.00 51.41 H new ATOM 1179 N LEU A 81 73.298 -25.711 7.072 1.00 44.24 N ATOM 1180 CA LEU A 81 73.686 -27.028 7.567 1.00 64.43 C ATOM 1181 C LEU A 81 74.791 -27.630 6.705 1.00 51.14 C ATOM 1182 O LEU A 81 74.701 -27.640 5.478 1.00 23.44 O ATOM 1183 CB LEU A 81 72.474 -27.962 7.589 1.00 2.51 C ATOM 1184 CG LEU A 81 71.540 -27.878 6.381 1.00 21.23 C ATOM 1185 CD1 LEU A 81 71.331 -29.256 5.772 1.00 1.21 C ATOM 1186 CD2 LEU A 81 70.208 -27.261 6.779 1.00 35.51 C ATOM 0 H LEU A 81 72.629 -25.730 6.302 1.00 44.24 H new ATOM 0 HA LEU A 81 74.066 -26.911 8.582 1.00 64.43 H new ATOM 0 HB2 LEU A 81 72.832 -28.988 7.675 1.00 2.51 H new ATOM 0 HB3 LEU A 81 71.894 -27.751 8.487 1.00 2.51 H new ATOM 0 HG LEU A 81 72.004 -27.238 5.630 1.00 21.23 H new ATOM 0 HD11 LEU A 81 70.664 -29.177 4.914 1.00 1.21 H new ATOM 0 HD12 LEU A 81 72.290 -29.661 5.450 1.00 1.21 H new ATOM 0 HD13 LEU A 81 70.889 -29.919 6.516 1.00 1.21 H new ATOM 0 HD21 LEU A 81 69.556 -27.209 5.907 1.00 35.51 H new ATOM 0 HD22 LEU A 81 69.738 -27.875 7.548 1.00 35.51 H new ATOM 0 HD23 LEU A 81 70.374 -26.256 7.168 1.00 35.51 H new ATOM 1198 N THR A 82 75.835 -28.133 7.358 1.00 21.32 N ATOM 1199 CA THR A 82 76.957 -28.738 6.652 1.00 31.15 C ATOM 1200 C THR A 82 76.763 -30.242 6.497 1.00 33.02 C ATOM 1201 O THR A 82 76.986 -31.006 7.438 1.00 61.11 O ATOM 1202 CB THR A 82 78.287 -28.476 7.383 1.00 12.11 C ATOM 1203 OG1 THR A 82 79.334 -29.252 6.789 1.00 61.15 O ATOM 1204 CG2 THR A 82 78.169 -28.820 8.861 1.00 4.42 C ATOM 0 H THR A 82 75.926 -28.133 8.374 1.00 21.32 H new ATOM 0 HA THR A 82 76.996 -28.276 5.665 1.00 31.15 H new ATOM 0 HB THR A 82 78.524 -27.416 7.291 1.00 12.11 H new ATOM 0 HG1 THR A 82 80.176 -29.078 7.259 1.00 61.15 H new ATOM 0 HG21 THR A 82 79.120 -28.627 9.357 1.00 4.42 H new ATOM 0 HG22 THR A 82 77.392 -28.207 9.316 1.00 4.42 H new ATOM 0 HG23 THR A 82 77.910 -29.873 8.970 1.00 4.42 H new ATOM 1212 N ILE A 83 76.349 -30.662 5.307 1.00 73.34 N ATOM 1213 CA ILE A 83 76.126 -32.075 5.030 1.00 5.33 C ATOM 1214 C ILE A 83 76.676 -32.459 3.660 1.00 33.34 C ATOM 1215 O ILE A 83 76.421 -31.783 2.665 1.00 10.42 O ATOM 1216 CB ILE A 83 74.630 -32.432 5.089 1.00 61.21 C ATOM 1217 CG1 ILE A 83 74.186 -33.081 3.776 1.00 23.51 C ATOM 1218 CG2 ILE A 83 73.800 -31.190 5.380 1.00 23.44 C ATOM 1219 CD1 ILE A 83 73.750 -32.083 2.726 1.00 43.11 C ATOM 0 H ILE A 83 76.161 -30.043 4.518 1.00 73.34 H new ATOM 0 HA ILE A 83 76.654 -32.635 5.802 1.00 5.33 H new ATOM 0 HB ILE A 83 74.474 -33.147 5.897 1.00 61.21 H new ATOM 0 HG12 ILE A 83 75.007 -33.678 3.379 1.00 23.51 H new ATOM 0 HG13 ILE A 83 73.363 -33.766 3.979 1.00 23.51 H new ATOM 0 HG21 ILE A 83 72.744 -31.459 5.419 1.00 23.44 H new ATOM 0 HG22 ILE A 83 74.102 -30.767 6.338 1.00 23.44 H new ATOM 0 HG23 ILE A 83 73.958 -30.454 4.592 1.00 23.44 H new ATOM 0 HD11 ILE A 83 73.449 -32.613 1.823 1.00 43.11 H new ATOM 0 HD12 ILE A 83 72.908 -31.502 3.103 1.00 43.11 H new ATOM 0 HD13 ILE A 83 74.578 -31.413 2.495 1.00 43.11 H new ATOM 1231 N GLY A 84 77.431 -33.554 3.618 1.00 64.05 N ATOM 1232 CA GLY A 84 78.004 -34.011 2.366 1.00 65.25 C ATOM 1233 C GLY A 84 79.179 -33.163 1.921 1.00 52.14 C ATOM 1234 O GLY A 84 80.263 -33.682 1.659 1.00 30.11 O ATOM 0 H GLY A 84 77.655 -34.131 4.428 1.00 64.05 H new ATOM 0 HA2 GLY A 84 78.328 -35.046 2.475 1.00 65.25 H new ATOM 0 HA3 GLY A 84 77.236 -33.997 1.592 1.00 65.25 H new ATOM 1238 N GLU A 85 78.963 -31.854 1.834 1.00 71.22 N ATOM 1239 CA GLU A 85 80.014 -30.932 1.416 1.00 34.54 C ATOM 1240 C GLU A 85 80.338 -29.938 2.526 1.00 42.53 C ATOM 1241 O GLU A 85 81.307 -30.113 3.265 1.00 62.24 O ATOM 1242 CB GLU A 85 79.590 -30.182 0.151 1.00 3.52 C ATOM 1243 CG GLU A 85 80.625 -29.184 -0.339 1.00 73.34 C ATOM 1244 CD GLU A 85 80.293 -28.624 -1.708 1.00 22.12 C ATOM 1245 OE1 GLU A 85 79.279 -29.055 -2.296 1.00 45.34 O ATOM 1246 OE2 GLU A 85 81.049 -27.754 -2.193 1.00 35.12 O ATOM 0 H GLU A 85 78.071 -31.408 2.047 1.00 71.22 H new ATOM 0 HA GLU A 85 80.910 -31.514 1.201 1.00 34.54 H new ATOM 0 HB2 GLU A 85 79.391 -30.905 -0.640 1.00 3.52 H new ATOM 0 HB3 GLU A 85 78.655 -29.657 0.346 1.00 3.52 H new ATOM 0 HG2 GLU A 85 80.701 -28.365 0.376 1.00 73.34 H new ATOM 0 HG3 GLU A 85 81.601 -29.667 -0.375 1.00 73.34 H new ATOM 1253 N GLU A 86 79.523 -28.894 2.636 1.00 24.44 N ATOM 1254 CA GLU A 86 79.724 -27.871 3.654 1.00 51.33 C ATOM 1255 C GLU A 86 78.393 -27.263 4.086 1.00 62.04 C ATOM 1256 O GLU A 86 77.390 -27.376 3.382 1.00 73.23 O ATOM 1257 CB GLU A 86 80.653 -26.773 3.129 1.00 30.55 C ATOM 1258 CG GLU A 86 82.044 -27.271 2.774 1.00 13.04 C ATOM 1259 CD GLU A 86 82.790 -26.315 1.863 1.00 13.24 C ATOM 1260 OE1 GLU A 86 82.131 -25.630 1.054 1.00 45.10 O ATOM 1261 OE2 GLU A 86 84.034 -26.254 1.961 1.00 30.42 O ATOM 0 H GLU A 86 78.717 -28.735 2.032 1.00 24.44 H new ATOM 0 HA GLU A 86 80.185 -28.344 4.521 1.00 51.33 H new ATOM 0 HB2 GLU A 86 80.203 -26.319 2.246 1.00 30.55 H new ATOM 0 HB3 GLU A 86 80.738 -25.990 3.882 1.00 30.55 H new ATOM 0 HG2 GLU A 86 82.618 -27.418 3.689 1.00 13.04 H new ATOM 0 HG3 GLU A 86 81.965 -28.243 2.288 1.00 13.04 H new ATOM 1268 N ASN A 87 78.393 -26.616 5.247 1.00 31.11 N ATOM 1269 CA ASN A 87 77.186 -25.991 5.774 1.00 61.52 C ATOM 1270 C ASN A 87 76.549 -25.075 4.733 1.00 30.24 C ATOM 1271 O ASN A 87 77.192 -24.160 4.219 1.00 40.35 O ATOM 1272 CB ASN A 87 77.509 -25.195 7.040 1.00 70.12 C ATOM 1273 CG ASN A 87 78.496 -24.073 6.781 1.00 51.33 C ATOM 1274 OD1 ASN A 87 78.128 -23.012 6.276 1.00 2.31 O ATOM 1275 ND2 ASN A 87 79.757 -24.303 7.127 1.00 53.00 N ATOM 0 H ASN A 87 79.216 -26.511 5.841 1.00 31.11 H new ATOM 0 HA ASN A 87 76.476 -26.781 6.021 1.00 61.52 H new ATOM 0 HB2 ASN A 87 76.588 -24.778 7.449 1.00 70.12 H new ATOM 0 HB3 ASN A 87 77.917 -25.867 7.795 1.00 70.12 H new ATOM 0 HD21 ASN A 87 80.466 -23.585 6.977 1.00 53.00 H new ATOM 0 HD22 ASN A 87 80.017 -25.198 7.543 1.00 53.00 H new ATOM 1282 N PHE A 88 75.281 -25.327 4.428 1.00 63.41 N ATOM 1283 CA PHE A 88 74.557 -24.526 3.448 1.00 31.43 C ATOM 1284 C PHE A 88 73.191 -24.110 3.988 1.00 72.20 C ATOM 1285 O PHE A 88 72.345 -24.955 4.283 1.00 4.41 O ATOM 1286 CB PHE A 88 74.386 -25.309 2.144 1.00 71.45 C ATOM 1287 CG PHE A 88 75.670 -25.874 1.612 1.00 4.12 C ATOM 1288 CD1 PHE A 88 76.836 -25.125 1.636 1.00 73.52 C ATOM 1289 CD2 PHE A 88 75.714 -27.156 1.087 1.00 13.10 C ATOM 1290 CE1 PHE A 88 78.019 -25.642 1.146 1.00 3.52 C ATOM 1291 CE2 PHE A 88 76.895 -27.679 0.596 1.00 14.22 C ATOM 1292 CZ PHE A 88 78.049 -26.922 0.627 1.00 3.11 C ATOM 0 H PHE A 88 74.733 -26.080 4.845 1.00 63.41 H new ATOM 0 HA PHE A 88 75.139 -23.626 3.250 1.00 31.43 H new ATOM 0 HB2 PHE A 88 73.681 -26.123 2.308 1.00 71.45 H new ATOM 0 HB3 PHE A 88 73.947 -24.654 1.391 1.00 71.45 H new ATOM 0 HD1 PHE A 88 76.819 -24.125 2.043 1.00 73.52 H new ATOM 0 HD2 PHE A 88 74.815 -27.753 1.061 1.00 13.10 H new ATOM 0 HE1 PHE A 88 78.920 -25.046 1.168 1.00 3.52 H new ATOM 0 HE2 PHE A 88 76.915 -28.679 0.188 1.00 14.22 H new ATOM 0 HZ PHE A 88 78.974 -27.330 0.246 1.00 3.11 H new ATOM 1302 N TRP A 89 72.984 -22.805 4.115 1.00 62.45 N ATOM 1303 CA TRP A 89 71.722 -22.276 4.620 1.00 34.11 C ATOM 1304 C TRP A 89 70.676 -22.212 3.512 1.00 2.22 C ATOM 1305 O TRP A 89 70.966 -21.776 2.398 1.00 25.33 O ATOM 1306 CB TRP A 89 71.931 -20.886 5.221 1.00 53.42 C ATOM 1307 CG TRP A 89 72.614 -19.932 4.289 1.00 22.41 C ATOM 1308 CD1 TRP A 89 73.952 -19.665 4.223 1.00 72.14 C ATOM 1309 CD2 TRP A 89 71.991 -19.117 3.289 1.00 53.45 C ATOM 1310 NE1 TRP A 89 74.198 -18.733 3.244 1.00 73.11 N ATOM 1311 CE2 TRP A 89 73.012 -18.382 2.655 1.00 74.34 C ATOM 1312 CE3 TRP A 89 70.671 -18.938 2.868 1.00 12.34 C ATOM 1313 CZ2 TRP A 89 72.750 -17.483 1.625 1.00 51.23 C ATOM 1314 CZ3 TRP A 89 70.414 -18.046 1.845 1.00 24.44 C ATOM 1315 CH2 TRP A 89 71.449 -17.328 1.232 1.00 3.35 C ATOM 0 H TRP A 89 73.674 -22.093 3.875 1.00 62.45 H new ATOM 0 HA TRP A 89 71.360 -22.949 5.397 1.00 34.11 H new ATOM 0 HB2 TRP A 89 70.964 -20.473 5.508 1.00 53.42 H new ATOM 0 HB3 TRP A 89 72.521 -20.977 6.133 1.00 53.42 H new ATOM 0 HD1 TRP A 89 74.706 -20.120 4.849 1.00 72.14 H new ATOM 0 HE1 TRP A 89 75.115 -18.362 2.996 1.00 73.11 H new ATOM 0 HE3 TRP A 89 69.866 -19.487 3.334 1.00 12.34 H new ATOM 0 HZ2 TRP A 89 73.546 -16.927 1.153 1.00 51.23 H new ATOM 0 HZ3 TRP A 89 69.397 -17.900 1.512 1.00 24.44 H new ATOM 0 HH2 TRP A 89 71.215 -16.639 0.434 1.00 3.35 H new ATOM 1326 N VAL A 90 69.461 -22.648 3.825 1.00 34.32 N ATOM 1327 CA VAL A 90 68.371 -22.638 2.856 1.00 45.43 C ATOM 1328 C VAL A 90 67.555 -21.355 2.959 1.00 71.24 C ATOM 1329 O VAL A 90 67.283 -20.867 4.057 1.00 4.51 O ATOM 1330 CB VAL A 90 67.436 -23.846 3.050 1.00 4.35 C ATOM 1331 CG1 VAL A 90 66.165 -23.427 3.773 1.00 31.02 C ATOM 1332 CG2 VAL A 90 67.110 -24.488 1.710 1.00 62.14 C ATOM 0 H VAL A 90 69.206 -23.013 4.743 1.00 34.32 H new ATOM 0 HA VAL A 90 68.826 -22.696 1.867 1.00 45.43 H new ATOM 0 HB VAL A 90 67.949 -24.585 3.666 1.00 4.35 H new ATOM 0 HG11 VAL A 90 65.517 -24.294 3.901 1.00 31.02 H new ATOM 0 HG12 VAL A 90 66.420 -23.017 4.750 1.00 31.02 H new ATOM 0 HG13 VAL A 90 65.646 -22.669 3.186 1.00 31.02 H new ATOM 0 HG21 VAL A 90 66.448 -25.340 1.866 1.00 62.14 H new ATOM 0 HG22 VAL A 90 66.617 -23.759 1.067 1.00 62.14 H new ATOM 0 HG23 VAL A 90 68.031 -24.826 1.235 1.00 62.14 H new ATOM 1342 N ASP A 91 67.166 -20.814 1.810 1.00 74.32 N ATOM 1343 CA ASP A 91 66.377 -19.587 1.771 1.00 51.50 C ATOM 1344 C ASP A 91 65.025 -19.788 2.448 1.00 32.14 C ATOM 1345 O ASP A 91 64.778 -19.261 3.533 1.00 22.24 O ATOM 1346 CB ASP A 91 66.176 -19.132 0.326 1.00 43.35 C ATOM 1347 CG ASP A 91 66.329 -17.631 0.165 1.00 2.13 C ATOM 1348 OD1 ASP A 91 65.347 -16.904 0.421 1.00 33.24 O ATOM 1349 OD2 ASP A 91 67.430 -17.184 -0.218 1.00 40.51 O ATOM 0 H ASP A 91 67.384 -21.205 0.893 1.00 74.32 H new ATOM 0 HA ASP A 91 66.923 -18.815 2.314 1.00 51.50 H new ATOM 0 HB2 ASP A 91 66.897 -19.639 -0.315 1.00 43.35 H new ATOM 0 HB3 ASP A 91 65.184 -19.432 -0.012 1.00 43.35 H new ATOM 1354 N ARG A 92 64.152 -20.553 1.799 1.00 13.53 N ATOM 1355 CA ARG A 92 62.824 -20.822 2.336 1.00 12.11 C ATOM 1356 C ARG A 92 62.221 -22.070 1.697 1.00 53.44 C ATOM 1357 O ARG A 92 62.053 -22.136 0.480 1.00 33.14 O ATOM 1358 CB ARG A 92 61.904 -19.622 2.104 1.00 54.31 C ATOM 1359 CG ARG A 92 61.735 -18.738 3.329 1.00 33.11 C ATOM 1360 CD ARG A 92 60.421 -17.974 3.288 1.00 42.11 C ATOM 1361 NE ARG A 92 60.480 -16.833 2.378 1.00 14.14 N ATOM 1362 CZ ARG A 92 59.538 -15.899 2.309 1.00 44.42 C ATOM 1363 NH1 ARG A 92 58.471 -15.969 3.093 1.00 42.50 N ATOM 1364 NH2 ARG A 92 59.663 -14.891 1.455 1.00 43.13 N ATOM 0 H ARG A 92 64.341 -20.997 0.900 1.00 13.53 H new ATOM 0 HA ARG A 92 62.921 -20.995 3.408 1.00 12.11 H new ATOM 0 HB2 ARG A 92 62.303 -19.022 1.286 1.00 54.31 H new ATOM 0 HB3 ARG A 92 60.925 -19.981 1.788 1.00 54.31 H new ATOM 0 HG2 ARG A 92 61.773 -19.351 4.229 1.00 33.11 H new ATOM 0 HG3 ARG A 92 62.565 -18.034 3.388 1.00 33.11 H new ATOM 0 HD2 ARG A 92 59.621 -18.645 2.976 1.00 42.11 H new ATOM 0 HD3 ARG A 92 60.173 -17.626 4.291 1.00 42.11 H new ATOM 0 HE ARG A 92 61.289 -16.749 1.762 1.00 14.14 H new ATOM 0 HH11 ARG A 92 58.372 -16.742 3.752 1.00 42.50 H new ATOM 0 HH12 ARG A 92 57.749 -15.250 3.038 1.00 42.50 H new ATOM 0 HH21 ARG A 92 60.483 -14.833 0.851 1.00 43.13 H new ATOM 0 HH22 ARG A 92 58.939 -14.174 1.403 1.00 43.13 H new ATOM 1378 N VAL A 93 61.899 -23.057 2.527 1.00 51.11 N ATOM 1379 CA VAL A 93 61.314 -24.302 2.044 1.00 43.33 C ATOM 1380 C VAL A 93 59.872 -24.450 2.512 1.00 71.14 C ATOM 1381 O VAL A 93 59.557 -24.198 3.676 1.00 42.12 O ATOM 1382 CB VAL A 93 62.125 -25.523 2.518 1.00 24.14 C ATOM 1383 CG1 VAL A 93 63.583 -25.388 2.108 1.00 75.04 C ATOM 1384 CG2 VAL A 93 61.999 -25.693 4.024 1.00 30.14 C ATOM 0 H VAL A 93 62.033 -23.018 3.537 1.00 51.11 H new ATOM 0 HA VAL A 93 61.336 -24.261 0.955 1.00 43.33 H new ATOM 0 HB VAL A 93 61.720 -26.415 2.040 1.00 24.14 H new ATOM 0 HG11 VAL A 93 64.140 -26.260 2.452 1.00 75.04 H new ATOM 0 HG12 VAL A 93 63.651 -25.319 1.022 1.00 75.04 H new ATOM 0 HG13 VAL A 93 64.005 -24.488 2.556 1.00 75.04 H new ATOM 0 HG21 VAL A 93 62.578 -26.560 4.342 1.00 30.14 H new ATOM 0 HG22 VAL A 93 62.377 -24.801 4.524 1.00 30.14 H new ATOM 0 HG23 VAL A 93 60.951 -25.840 4.287 1.00 30.14 H new ATOM 1394 N SER A 94 58.998 -24.861 1.599 1.00 72.34 N ATOM 1395 CA SER A 94 57.586 -25.039 1.918 1.00 63.31 C ATOM 1396 C SER A 94 57.092 -26.405 1.450 1.00 50.40 C ATOM 1397 O SER A 94 56.820 -26.624 0.270 1.00 2.03 O ATOM 1398 CB SER A 94 56.751 -23.933 1.269 1.00 54.44 C ATOM 1399 OG SER A 94 56.643 -22.808 2.125 1.00 34.23 O ATOM 0 H SER A 94 59.243 -25.077 0.633 1.00 72.34 H new ATOM 0 HA SER A 94 57.473 -24.982 3.001 1.00 63.31 H new ATOM 0 HB2 SER A 94 57.208 -23.634 0.326 1.00 54.44 H new ATOM 0 HB3 SER A 94 55.757 -24.313 1.035 1.00 54.44 H new ATOM 0 HG SER A 94 56.107 -22.114 1.687 1.00 34.23 H new ATOM 1405 N PRO A 95 56.974 -27.346 2.398 1.00 11.42 N ATOM 1406 CA PRO A 95 56.512 -28.708 2.109 1.00 54.23 C ATOM 1407 C PRO A 95 55.033 -28.752 1.742 1.00 13.32 C ATOM 1408 O PRO A 95 54.348 -27.730 1.760 1.00 61.43 O ATOM 1409 CB PRO A 95 56.760 -29.453 3.423 1.00 73.22 C ATOM 1410 CG PRO A 95 56.726 -28.395 4.471 1.00 51.44 C ATOM 1411 CD PRO A 95 57.281 -27.155 3.826 1.00 35.23 C ATOM 0 HA PRO A 95 57.030 -29.142 1.254 1.00 54.23 H new ATOM 0 HB2 PRO A 95 55.995 -30.210 3.599 1.00 73.22 H new ATOM 0 HB3 PRO A 95 57.721 -29.968 3.411 1.00 73.22 H new ATOM 0 HG2 PRO A 95 55.709 -28.229 4.825 1.00 51.44 H new ATOM 0 HG3 PRO A 95 57.321 -28.684 5.337 1.00 51.44 H new ATOM 0 HD2 PRO A 95 56.813 -26.253 4.220 1.00 35.23 H new ATOM 0 HD3 PRO A 95 58.353 -27.059 3.997 1.00 35.23 H new ATOM 1419 N ASP A 96 54.546 -29.943 1.410 1.00 22.11 N ATOM 1420 CA ASP A 96 53.147 -30.121 1.040 1.00 74.12 C ATOM 1421 C ASP A 96 52.463 -31.119 1.968 1.00 35.55 C ATOM 1422 O ASP A 96 51.267 -31.011 2.240 1.00 33.13 O ATOM 1423 CB ASP A 96 53.036 -30.594 -0.410 1.00 3.20 C ATOM 1424 CG ASP A 96 51.605 -30.611 -0.906 1.00 35.43 C ATOM 1425 OD1 ASP A 96 50.986 -29.529 -0.970 1.00 54.35 O ATOM 1426 OD2 ASP A 96 51.101 -31.708 -1.230 1.00 5.33 O ATOM 0 H ASP A 96 55.100 -30.799 1.390 1.00 22.11 H new ATOM 0 HA ASP A 96 52.646 -29.158 1.138 1.00 74.12 H new ATOM 0 HB2 ASP A 96 53.631 -29.941 -1.048 1.00 3.20 H new ATOM 0 HB3 ASP A 96 53.459 -31.595 -0.496 1.00 3.20 H new ATOM 1457 N SER A 100 58.145 -32.498 3.753 1.00 43.25 N ATOM 1458 CA SER A 100 58.884 -32.631 2.504 1.00 22.31 C ATOM 1459 C SER A 100 59.216 -31.261 1.920 1.00 44.42 C ATOM 1460 O SER A 100 58.577 -30.806 0.970 1.00 41.22 O ATOM 1461 CB SER A 100 58.075 -33.445 1.492 1.00 14.12 C ATOM 1462 OG SER A 100 58.370 -34.826 1.597 1.00 10.45 O ATOM 0 HA SER A 100 59.817 -33.152 2.717 1.00 22.31 H new ATOM 0 HB2 SER A 100 57.010 -33.284 1.659 1.00 14.12 H new ATOM 0 HB3 SER A 100 58.295 -33.098 0.482 1.00 14.12 H new ATOM 0 HG SER A 100 57.839 -35.325 0.941 1.00 10.45 H new ATOM 1468 N CYS A 101 60.221 -30.608 2.495 1.00 4.25 N ATOM 1469 CA CYS A 101 60.640 -29.289 2.033 1.00 30.00 C ATOM 1470 C CYS A 101 61.942 -29.378 1.244 1.00 53.12 C ATOM 1471 O CYS A 101 62.786 -30.234 1.511 1.00 72.13 O ATOM 1472 CB CYS A 101 60.812 -28.341 3.221 1.00 11.53 C ATOM 1473 SG CYS A 101 60.099 -28.955 4.765 1.00 14.15 S ATOM 0 H CYS A 101 60.760 -30.970 3.281 1.00 4.25 H new ATOM 0 HA CYS A 101 59.864 -28.898 1.375 1.00 30.00 H new ATOM 0 HB2 CYS A 101 61.875 -28.155 3.373 1.00 11.53 H new ATOM 0 HB3 CYS A 101 60.353 -27.383 2.977 1.00 11.53 H new ATOM 0 HG CYS A 101 60.692 -30.060 5.108 1.00 14.15 H new ATOM 1479 N HIS A 102 62.098 -28.488 0.269 1.00 2.12 N ATOM 1480 CA HIS A 102 63.297 -28.466 -0.561 1.00 62.15 C ATOM 1481 C HIS A 102 63.494 -27.092 -1.195 1.00 21.21 C ATOM 1482 O HIS A 102 62.611 -26.585 -1.888 1.00 62.21 O ATOM 1483 CB HIS A 102 63.209 -29.536 -1.650 1.00 64.53 C ATOM 1484 CG HIS A 102 61.972 -29.436 -2.488 1.00 21.32 C ATOM 1485 ND1 HIS A 102 61.994 -29.107 -3.827 1.00 64.34 N ATOM 1486 CD2 HIS A 102 60.670 -29.627 -2.172 1.00 51.12 C ATOM 1487 CE1 HIS A 102 60.760 -29.097 -4.297 1.00 12.01 C ATOM 1488 NE2 HIS A 102 59.937 -29.410 -3.312 1.00 34.40 N ATOM 0 H HIS A 102 61.409 -27.773 0.034 1.00 2.12 H new ATOM 0 HA HIS A 102 64.155 -28.678 0.077 1.00 62.15 H new ATOM 0 HB2 HIS A 102 64.083 -29.458 -2.296 1.00 64.53 H new ATOM 0 HB3 HIS A 102 63.244 -30.521 -1.184 1.00 64.53 H new ATOM 0 HD2 HIS A 102 60.280 -29.900 -1.202 1.00 51.12 H new ATOM 0 HE1 HIS A 102 60.473 -28.871 -5.313 1.00 12.01 H new ATOM 0 HE2 HIS A 102 58.922 -29.479 -3.387 1.00 34.40 H new ATOM 1496 N LEU A 103 64.655 -26.495 -0.954 1.00 55.14 N ATOM 1497 CA LEU A 103 64.968 -25.180 -1.501 1.00 51.03 C ATOM 1498 C LEU A 103 66.471 -25.016 -1.701 1.00 1.31 C ATOM 1499 O LEU A 103 67.271 -25.553 -0.934 1.00 24.20 O ATOM 1500 CB LEU A 103 64.444 -24.082 -0.572 1.00 22.41 C ATOM 1501 CG LEU A 103 64.347 -22.681 -1.177 1.00 2.42 C ATOM 1502 CD1 LEU A 103 65.735 -22.089 -1.378 1.00 13.02 C ATOM 1503 CD2 LEU A 103 63.587 -22.719 -2.495 1.00 2.10 C ATOM 0 H LEU A 103 65.396 -26.901 -0.383 1.00 55.14 H new ATOM 0 HA LEU A 103 64.479 -25.092 -2.471 1.00 51.03 H new ATOM 0 HB2 LEU A 103 63.454 -24.373 -0.220 1.00 22.41 H new ATOM 0 HB3 LEU A 103 65.092 -24.034 0.303 1.00 22.41 H new ATOM 0 HG LEU A 103 63.799 -22.044 -0.483 1.00 2.42 H new ATOM 0 HD11 LEU A 103 65.646 -21.092 -1.809 1.00 13.02 H new ATOM 0 HD12 LEU A 103 66.246 -22.025 -0.417 1.00 13.02 H new ATOM 0 HD13 LEU A 103 66.308 -22.726 -2.052 1.00 13.02 H new ATOM 0 HD21 LEU A 103 63.528 -21.713 -2.910 1.00 2.10 H new ATOM 0 HD22 LEU A 103 64.107 -23.371 -3.196 1.00 2.10 H new ATOM 0 HD23 LEU A 103 62.580 -23.100 -2.324 1.00 2.10 H new ATOM 1515 N TRP A 104 66.846 -24.271 -2.734 1.00 4.51 N ATOM 1516 CA TRP A 104 68.255 -24.035 -3.034 1.00 21.11 C ATOM 1517 C TRP A 104 68.917 -23.217 -1.931 1.00 13.14 C ATOM 1518 O TRP A 104 68.628 -22.033 -1.764 1.00 41.03 O ATOM 1519 CB TRP A 104 68.398 -23.314 -4.376 1.00 53.52 C ATOM 1520 CG TRP A 104 67.494 -22.126 -4.511 1.00 31.11 C ATOM 1521 CD1 TRP A 104 67.772 -20.840 -4.147 1.00 63.44 C ATOM 1522 CD2 TRP A 104 66.166 -22.116 -5.045 1.00 73.11 C ATOM 1523 NE1 TRP A 104 66.696 -20.030 -4.423 1.00 25.45 N ATOM 1524 CE2 TRP A 104 65.698 -20.790 -4.976 1.00 53.14 C ATOM 1525 CE3 TRP A 104 65.327 -23.099 -5.577 1.00 32.22 C ATOM 1526 CZ2 TRP A 104 64.429 -20.423 -5.417 1.00 53.41 C ATOM 1527 CZ3 TRP A 104 64.068 -22.734 -6.014 1.00 61.33 C ATOM 1528 CH2 TRP A 104 63.629 -21.405 -5.933 1.00 11.34 C ATOM 0 H TRP A 104 66.196 -23.820 -3.378 1.00 4.51 H new ATOM 0 HA TRP A 104 68.755 -25.002 -3.093 1.00 21.11 H new ATOM 0 HB2 TRP A 104 69.432 -22.991 -4.498 1.00 53.52 H new ATOM 0 HB3 TRP A 104 68.186 -24.016 -5.182 1.00 53.52 H new ATOM 0 HD1 TRP A 104 68.701 -20.508 -3.707 1.00 63.44 H new ATOM 0 HE1 TRP A 104 66.648 -19.027 -4.245 1.00 25.45 H new ATOM 0 HE3 TRP A 104 65.657 -24.125 -5.645 1.00 32.22 H new ATOM 0 HZ2 TRP A 104 64.089 -19.400 -5.354 1.00 53.41 H new ATOM 0 HZ3 TRP A 104 63.411 -23.486 -6.425 1.00 61.33 H new ATOM 0 HH2 TRP A 104 62.640 -21.152 -6.285 1.00 11.34 H new ATOM 1539 N LEU A 105 69.806 -23.858 -1.179 1.00 14.22 N ATOM 1540 CA LEU A 105 70.510 -23.190 -0.091 1.00 52.45 C ATOM 1541 C LEU A 105 71.824 -22.588 -0.580 1.00 14.12 C ATOM 1542 O LEU A 105 72.335 -22.962 -1.633 1.00 5.43 O ATOM 1543 CB LEU A 105 70.780 -24.173 1.049 1.00 51.42 C ATOM 1544 CG LEU A 105 71.030 -25.625 0.638 1.00 61.13 C ATOM 1545 CD1 LEU A 105 72.275 -25.727 -0.229 1.00 71.14 C ATOM 1546 CD2 LEU A 105 71.159 -26.513 1.867 1.00 72.42 C ATOM 0 H LEU A 105 70.056 -24.839 -1.303 1.00 14.22 H new ATOM 0 HA LEU A 105 69.876 -22.383 0.276 1.00 52.45 H new ATOM 0 HB2 LEU A 105 71.646 -23.820 1.609 1.00 51.42 H new ATOM 0 HB3 LEU A 105 69.930 -24.151 1.731 1.00 51.42 H new ATOM 0 HG LEU A 105 70.176 -25.969 0.054 1.00 61.13 H new ATOM 0 HD11 LEU A 105 72.437 -26.767 -0.512 1.00 71.14 H new ATOM 0 HD12 LEU A 105 72.144 -25.123 -1.127 1.00 71.14 H new ATOM 0 HD13 LEU A 105 73.138 -25.364 0.329 1.00 71.14 H new ATOM 0 HD21 LEU A 105 71.337 -27.542 1.555 1.00 72.42 H new ATOM 0 HD22 LEU A 105 71.994 -26.170 2.478 1.00 72.42 H new ATOM 0 HD23 LEU A 105 70.239 -26.464 2.450 1.00 72.42 H new ATOM 1558 N GLY A 106 72.367 -21.653 0.196 1.00 31.45 N ATOM 1559 CA GLY A 106 73.617 -21.017 -0.175 1.00 12.20 C ATOM 1560 C GLY A 106 74.826 -21.759 0.360 1.00 31.33 C ATOM 1561 O GLY A 106 74.716 -22.537 1.308 1.00 61.04 O ATOM 0 H GLY A 106 71.963 -21.326 1.074 1.00 31.45 H new ATOM 0 HA2 GLY A 106 73.682 -20.958 -1.261 1.00 12.20 H new ATOM 0 HA3 GLY A 106 73.626 -19.994 0.201 1.00 12.20 H new ATOM 1565 N ARG A 107 75.983 -21.522 -0.251 1.00 73.33 N ATOM 1566 CA ARG A 107 77.216 -22.176 0.167 1.00 63.43 C ATOM 1567 C ARG A 107 77.667 -21.664 1.532 1.00 23.02 C ATOM 1568 O ARG A 107 77.282 -20.575 1.956 1.00 35.33 O ATOM 1569 CB ARG A 107 78.319 -21.942 -0.867 1.00 24.53 C ATOM 1570 CG ARG A 107 78.974 -20.575 -0.760 1.00 32.10 C ATOM 1571 CD ARG A 107 79.139 -19.928 -2.126 1.00 64.32 C ATOM 1572 NE ARG A 107 78.017 -19.052 -2.455 1.00 41.23 N ATOM 1573 CZ ARG A 107 78.065 -18.120 -3.401 1.00 71.34 C ATOM 1574 NH1 ARG A 107 79.174 -17.944 -4.106 1.00 62.44 N ATOM 1575 NH2 ARG A 107 77.002 -17.362 -3.642 1.00 12.53 N ATOM 0 H ARG A 107 76.091 -20.881 -1.037 1.00 73.33 H new ATOM 0 HA ARG A 107 77.022 -23.246 0.245 1.00 63.43 H new ATOM 0 HB2 ARG A 107 79.083 -22.711 -0.752 1.00 24.53 H new ATOM 0 HB3 ARG A 107 77.899 -22.057 -1.866 1.00 24.53 H new ATOM 0 HG2 ARG A 107 78.370 -19.930 -0.121 1.00 32.10 H new ATOM 0 HG3 ARG A 107 79.949 -20.674 -0.283 1.00 32.10 H new ATOM 0 HD2 ARG A 107 80.065 -19.354 -2.146 1.00 64.32 H new ATOM 0 HD3 ARG A 107 79.228 -20.704 -2.886 1.00 64.32 H new ATOM 0 HE ARG A 107 77.149 -19.162 -1.930 1.00 41.23 H new ATOM 0 HH11 ARG A 107 79.992 -18.525 -3.923 1.00 62.44 H new ATOM 0 HH12 ARG A 107 79.209 -17.228 -4.832 1.00 62.44 H new ATOM 0 HH21 ARG A 107 76.148 -17.495 -3.101 1.00 12.53 H new ATOM 0 HH22 ARG A 107 77.040 -16.647 -4.368 1.00 12.53 H new ATOM 1589 N GLY A 108 78.487 -22.457 2.214 1.00 52.54 N ATOM 1590 CA GLY A 108 78.977 -22.068 3.524 1.00 60.14 C ATOM 1591 C GLY A 108 79.998 -23.043 4.075 1.00 44.02 C ATOM 1592 O GLY A 108 79.664 -24.178 4.412 1.00 11.54 O ATOM 0 H GLY A 108 78.821 -23.362 1.883 1.00 52.54 H new ATOM 0 HA2 GLY A 108 79.424 -21.076 3.461 1.00 60.14 H new ATOM 0 HA3 GLY A 108 78.138 -21.996 4.216 1.00 60.14 H new ATOM 1596 N VAL A 109 81.249 -22.600 4.166 1.00 23.34 N ATOM 1597 CA VAL A 109 82.322 -23.442 4.679 1.00 14.25 C ATOM 1598 C VAL A 109 82.634 -23.110 6.134 1.00 43.33 C ATOM 1599 O VAL A 109 82.785 -21.949 6.513 1.00 64.42 O ATOM 1600 CB VAL A 109 83.606 -23.288 3.842 1.00 41.43 C ATOM 1601 CG1 VAL A 109 84.606 -24.380 4.190 1.00 1.02 C ATOM 1602 CG2 VAL A 109 83.278 -23.307 2.357 1.00 24.02 C ATOM 0 H VAL A 109 81.543 -21.663 3.891 1.00 23.34 H new ATOM 0 HA VAL A 109 81.975 -24.473 4.611 1.00 14.25 H new ATOM 0 HB VAL A 109 84.060 -22.326 4.079 1.00 41.43 H new ATOM 0 HG11 VAL A 109 85.506 -24.254 3.588 1.00 1.02 H new ATOM 0 HG12 VAL A 109 84.864 -24.314 5.247 1.00 1.02 H new ATOM 0 HG13 VAL A 109 84.166 -25.356 3.984 1.00 1.02 H new ATOM 0 HG21 VAL A 109 84.196 -23.197 1.780 1.00 24.02 H new ATOM 0 HG22 VAL A 109 82.800 -24.253 2.102 1.00 24.02 H new ATOM 0 HG23 VAL A 109 82.602 -22.485 2.123 1.00 24.02 H new ATOM 1612 N PRO A 110 82.734 -24.153 6.971 1.00 34.02 N ATOM 1613 CA PRO A 110 83.030 -23.998 8.398 1.00 53.15 C ATOM 1614 C PRO A 110 84.462 -23.535 8.646 1.00 0.44 C ATOM 1615 O PRO A 110 85.304 -23.534 7.748 1.00 22.03 O ATOM 1616 CB PRO A 110 82.818 -25.406 8.960 1.00 41.14 C ATOM 1617 CG PRO A 110 83.045 -26.314 7.802 1.00 64.10 C ATOM 1618 CD PRO A 110 82.567 -25.565 6.589 1.00 3.22 C ATOM 0 HA PRO A 110 82.401 -23.239 8.864 1.00 53.15 H new ATOM 0 HB2 PRO A 110 83.515 -25.617 9.771 1.00 41.14 H new ATOM 0 HB3 PRO A 110 81.813 -25.524 9.364 1.00 41.14 H new ATOM 0 HG2 PRO A 110 84.100 -26.573 7.710 1.00 64.10 H new ATOM 0 HG3 PRO A 110 82.497 -27.248 7.925 1.00 64.10 H new ATOM 0 HD2 PRO A 110 83.155 -25.814 5.706 1.00 3.22 H new ATOM 0 HD3 PRO A 110 81.528 -25.798 6.357 1.00 3.22 H new