USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 75 ASN : amide:sc= -1.25 X(o=-6.2,f=-6.1) USER MOD Set 1.2: A 86 GLN : amide:sc= -4.97! C(o=-6.2!,f=-6.8!) USER MOD Set 2.1: A 31 CYS SG : rot 143:sc= 0.551 USER MOD Set 2.2: A 34 CYS SG : rot -51:sc= 0.599 USER MOD Set 2.3: A 56 CYS SG : rot 117:sc= 0.227 USER MOD Set 2.4: A 57 MET CE :methyl 150:sc= -1.64 (180deg=-2.05!) USER MOD Set 2.5: A 67 CYS SG : rot -62:sc= 0.179 USER MOD Single : A 26 SER OG : rot 25:sc= 0.18 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.57! K(o=-2.6!,f=-0.96) USER MOD Single : A 59 ASN : amide:sc= 0.341 K(o=0.34,f=-4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -2.98 K(o=-3,f=-4.4!) USER MOD Single : A 73 MET CE :methyl -162:sc= -1.98 (180deg=-2.69) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.711 K(o=-0.71,f=0.097) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.492 -12.323 -0.511 1.00 11.01 N ATOM 367 CA SER A 26 3.229 -11.823 -1.041 1.00 74.15 C ATOM 368 C SER A 26 3.226 -10.298 -1.093 1.00 65.14 C ATOM 369 O SER A 26 3.685 -9.634 -0.165 1.00 62.51 O ATOM 370 CB SER A 26 2.061 -12.317 -0.186 1.00 32.50 C ATOM 371 OG SER A 26 2.123 -13.720 0.000 1.00 61.51 O ATOM 0 HA SER A 26 3.114 -12.204 -2.056 1.00 74.15 H new ATOM 0 HB2 SER A 26 2.079 -11.817 0.783 1.00 32.50 H new ATOM 0 HB3 SER A 26 1.118 -12.052 -0.664 1.00 32.50 H new ATOM 0 HG SER A 26 3.050 -14.023 -0.100 1.00 61.51 H new ATOM 377 N ALA A 27 2.707 -9.751 -2.188 1.00 11.24 N ATOM 378 CA ALA A 27 2.642 -8.306 -2.362 1.00 1.34 C ATOM 379 C ALA A 27 1.199 -7.835 -2.513 1.00 4.52 C ATOM 380 O ALA A 27 0.303 -8.631 -2.791 1.00 1.51 O ATOM 381 CB ALA A 27 3.467 -7.881 -3.567 1.00 44.00 C ATOM 0 H ALA A 27 2.326 -10.287 -2.967 1.00 11.24 H new ATOM 0 HA ALA A 27 3.057 -7.839 -1.469 1.00 1.34 H new ATOM 0 HB1 ALA A 27 3.409 -6.799 -3.684 1.00 44.00 H new ATOM 0 HB2 ALA A 27 4.506 -8.175 -3.418 1.00 44.00 H new ATOM 0 HB3 ALA A 27 3.078 -8.365 -4.463 1.00 44.00 H new ATOM 387 N TRP A 28 0.983 -6.537 -2.329 1.00 62.43 N ATOM 388 CA TRP A 28 -0.351 -5.961 -2.445 1.00 11.30 C ATOM 389 C TRP A 28 -0.502 -5.198 -3.756 1.00 74.14 C ATOM 390 O TRP A 28 0.377 -4.428 -4.142 1.00 74.45 O ATOM 391 CB TRP A 28 -0.632 -5.030 -1.265 1.00 25.04 C ATOM 392 CG TRP A 28 -1.149 -5.747 -0.053 1.00 62.11 C ATOM 393 CD1 TRP A 28 -0.542 -5.836 1.167 1.00 24.13 C ATOM 394 CD2 TRP A 28 -2.376 -6.475 0.052 1.00 31.52 C ATOM 395 NE1 TRP A 28 -1.319 -6.576 2.025 1.00 71.22 N ATOM 396 CE2 TRP A 28 -2.451 -6.979 1.365 1.00 4.35 C ATOM 397 CE3 TRP A 28 -3.422 -6.748 -0.833 1.00 73.45 C ATOM 398 CZ2 TRP A 28 -3.527 -7.741 1.811 1.00 55.20 C ATOM 399 CZ3 TRP A 28 -4.490 -7.505 -0.390 1.00 70.40 C ATOM 400 CH2 TRP A 28 -4.537 -7.993 0.923 1.00 64.12 C ATOM 0 H TRP A 28 1.714 -5.864 -2.099 1.00 62.43 H new ATOM 0 HA TRP A 28 -1.073 -6.777 -2.435 1.00 11.30 H new ATOM 0 HB2 TRP A 28 0.284 -4.501 -1.002 1.00 25.04 H new ATOM 0 HB3 TRP A 28 -1.358 -4.277 -1.570 1.00 25.04 H new ATOM 0 HD1 TRP A 28 0.409 -5.390 1.420 1.00 24.13 H new ATOM 0 HE1 TRP A 28 -1.091 -6.791 2.996 1.00 71.22 H new ATOM 0 HE3 TRP A 28 -3.396 -6.374 -1.846 1.00 73.45 H new ATOM 0 HZ2 TRP A 28 -3.563 -8.120 2.822 1.00 55.20 H new ATOM 0 HZ3 TRP A 28 -5.302 -7.724 -1.067 1.00 70.40 H new ATOM 0 HH2 TRP A 28 -5.387 -8.579 1.240 1.00 64.12 H new ATOM 411 N VAL A 29 -1.623 -5.416 -4.437 1.00 61.22 N ATOM 412 CA VAL A 29 -1.890 -4.749 -5.706 1.00 14.44 C ATOM 413 C VAL A 29 -3.273 -4.107 -5.708 1.00 33.21 C ATOM 414 O VAL A 29 -4.256 -4.723 -5.294 1.00 44.22 O ATOM 415 CB VAL A 29 -1.788 -5.728 -6.889 1.00 33.30 C ATOM 416 CG1 VAL A 29 -0.334 -6.065 -7.181 1.00 35.25 C ATOM 417 CG2 VAL A 29 -2.590 -6.991 -6.605 1.00 50.42 C ATOM 0 H VAL A 29 -2.361 -6.050 -4.131 1.00 61.22 H new ATOM 0 HA VAL A 29 -1.132 -3.974 -5.821 1.00 14.44 H new ATOM 0 HB VAL A 29 -2.208 -5.248 -7.773 1.00 33.30 H new ATOM 0 HG11 VAL A 29 -0.283 -6.758 -8.020 1.00 35.25 H new ATOM 0 HG12 VAL A 29 0.208 -5.153 -7.430 1.00 35.25 H new ATOM 0 HG13 VAL A 29 0.116 -6.526 -6.302 1.00 35.25 H new ATOM 0 HG21 VAL A 29 -2.507 -7.673 -7.452 1.00 50.42 H new ATOM 0 HG22 VAL A 29 -2.201 -7.476 -5.710 1.00 50.42 H new ATOM 0 HG23 VAL A 29 -3.637 -6.730 -6.450 1.00 50.42 H new ATOM 427 N ARG A 30 -3.343 -2.866 -6.177 1.00 43.42 N ATOM 428 CA ARG A 30 -4.606 -2.139 -6.234 1.00 20.21 C ATOM 429 C ARG A 30 -5.131 -2.073 -7.664 1.00 33.42 C ATOM 430 O ARG A 30 -4.368 -1.877 -8.610 1.00 64.11 O ATOM 431 CB ARG A 30 -4.431 -0.725 -5.677 1.00 71.33 C ATOM 432 CG ARG A 30 -5.728 0.064 -5.601 1.00 41.34 C ATOM 433 CD ARG A 30 -5.588 1.428 -6.259 1.00 13.41 C ATOM 434 NE ARG A 30 -5.308 1.321 -7.688 1.00 60.03 N ATOM 435 CZ ARG A 30 -4.786 2.306 -8.411 1.00 60.31 C ATOM 436 NH1 ARG A 30 -4.490 3.465 -7.841 1.00 10.15 N ATOM 437 NH2 ARG A 30 -4.561 2.132 -9.707 1.00 4.13 N ATOM 0 H ARG A 30 -2.539 -2.342 -6.523 1.00 43.42 H new ATOM 0 HA ARG A 30 -5.333 -2.675 -5.623 1.00 20.21 H new ATOM 0 HB2 ARG A 30 -3.995 -0.788 -4.680 1.00 71.33 H new ATOM 0 HB3 ARG A 30 -3.722 -0.183 -6.302 1.00 71.33 H new ATOM 0 HG2 ARG A 30 -6.526 -0.497 -6.089 1.00 41.34 H new ATOM 0 HG3 ARG A 30 -6.018 0.190 -4.558 1.00 41.34 H new ATOM 0 HD2 ARG A 30 -6.506 1.997 -6.111 1.00 13.41 H new ATOM 0 HD3 ARG A 30 -4.786 1.984 -5.773 1.00 13.41 H new ATOM 0 HE ARG A 30 -5.525 0.442 -8.157 1.00 60.03 H new ATOM 0 HH11 ARG A 30 -4.663 3.602 -6.845 1.00 10.15 H new ATOM 0 HH12 ARG A 30 -4.089 4.220 -8.398 1.00 10.15 H new ATOM 0 HH21 ARG A 30 -4.789 1.241 -10.149 1.00 4.13 H new ATOM 0 HH22 ARG A 30 -4.160 2.889 -10.261 1.00 4.13 H new ATOM 451 N CYS A 31 -6.441 -2.239 -7.815 1.00 54.45 N ATOM 452 CA CYS A 31 -7.071 -2.200 -9.130 1.00 50.21 C ATOM 453 C CYS A 31 -7.218 -0.762 -9.620 1.00 34.04 C ATOM 454 O CYS A 31 -7.510 0.144 -8.838 1.00 63.31 O ATOM 455 CB CYS A 31 -8.442 -2.877 -9.083 1.00 22.41 C ATOM 456 SG CYS A 31 -9.289 -2.954 -10.694 1.00 1.31 S ATOM 0 H CYS A 31 -7.087 -2.402 -7.043 1.00 54.45 H new ATOM 0 HA CYS A 31 -6.431 -2.740 -9.828 1.00 50.21 H new ATOM 0 HB2 CYS A 31 -8.322 -3.890 -8.699 1.00 22.41 H new ATOM 0 HB3 CYS A 31 -9.076 -2.341 -8.377 1.00 22.41 H new ATOM 0 HG CYS A 31 -9.924 -4.084 -10.797 1.00 1.31 H new ATOM 461 N ASP A 32 -7.016 -0.560 -10.916 1.00 73.45 N ATOM 462 CA ASP A 32 -7.128 0.767 -11.511 1.00 64.13 C ATOM 463 C ASP A 32 -8.484 0.947 -12.186 1.00 63.42 C ATOM 464 O ASP A 32 -8.588 1.591 -13.231 1.00 31.13 O ATOM 465 CB ASP A 32 -6.005 0.991 -12.526 1.00 35.55 C ATOM 466 CG ASP A 32 -5.652 2.456 -12.684 1.00 11.32 C ATOM 467 OD1 ASP A 32 -6.550 3.248 -13.039 1.00 23.42 O ATOM 468 OD2 ASP A 32 -4.477 2.811 -12.454 1.00 24.21 O ATOM 0 H ASP A 32 -6.773 -1.299 -11.576 1.00 73.45 H new ATOM 0 HA ASP A 32 -7.039 1.505 -10.713 1.00 64.13 H new ATOM 0 HB2 ASP A 32 -5.119 0.439 -12.212 1.00 35.55 H new ATOM 0 HB3 ASP A 32 -6.306 0.587 -13.492 1.00 35.55 H new ATOM 473 N ASP A 33 -9.520 0.374 -11.584 1.00 4.24 N ATOM 474 CA ASP A 33 -10.870 0.471 -12.126 1.00 61.13 C ATOM 475 C ASP A 33 -11.901 0.558 -11.005 1.00 63.11 C ATOM 476 O ASP A 33 -12.826 1.369 -11.059 1.00 1.21 O ATOM 477 CB ASP A 33 -11.171 -0.732 -13.021 1.00 0.14 C ATOM 478 CG ASP A 33 -12.302 -0.461 -13.994 1.00 23.22 C ATOM 479 OD1 ASP A 33 -12.124 0.390 -14.890 1.00 60.02 O ATOM 480 OD2 ASP A 33 -13.365 -1.102 -13.859 1.00 31.50 O ATOM 0 H ASP A 33 -9.451 -0.163 -10.720 1.00 4.24 H new ATOM 0 HA ASP A 33 -10.931 1.381 -12.722 1.00 61.13 H new ATOM 0 HB2 ASP A 33 -10.273 -1.001 -13.578 1.00 0.14 H new ATOM 0 HB3 ASP A 33 -11.429 -1.589 -12.399 1.00 0.14 H new ATOM 485 N CYS A 34 -11.737 -0.285 -9.991 1.00 31.13 N ATOM 486 CA CYS A 34 -12.654 -0.306 -8.857 1.00 40.03 C ATOM 487 C CYS A 34 -11.938 0.097 -7.571 1.00 50.55 C ATOM 488 O CYS A 34 -12.575 0.392 -6.560 1.00 10.22 O ATOM 489 CB CYS A 34 -13.267 -1.698 -8.697 1.00 33.31 C ATOM 490 SG CYS A 34 -12.057 -3.005 -8.317 1.00 62.10 S ATOM 0 H CYS A 34 -10.977 -0.963 -9.931 1.00 31.13 H new ATOM 0 HA CYS A 34 -13.449 0.414 -9.051 1.00 40.03 H new ATOM 0 HB2 CYS A 34 -14.012 -1.666 -7.902 1.00 33.31 H new ATOM 0 HB3 CYS A 34 -13.792 -1.960 -9.616 1.00 33.31 H new ATOM 0 HG CYS A 34 -11.086 -2.962 -9.180 1.00 62.10 H new ATOM 495 N PHE A 35 -10.610 0.110 -7.619 1.00 31.11 N ATOM 496 CA PHE A 35 -9.807 0.477 -6.458 1.00 51.04 C ATOM 497 C PHE A 35 -10.011 -0.517 -5.320 1.00 31.53 C ATOM 498 O PHE A 35 -10.680 -0.216 -4.330 1.00 43.11 O ATOM 499 CB PHE A 35 -10.165 1.889 -5.990 1.00 70.32 C ATOM 500 CG PHE A 35 -10.203 2.898 -7.101 1.00 72.35 C ATOM 501 CD1 PHE A 35 -9.028 3.389 -7.649 1.00 13.11 C ATOM 502 CD2 PHE A 35 -11.412 3.356 -7.598 1.00 51.31 C ATOM 503 CE1 PHE A 35 -9.061 4.318 -8.672 1.00 4.42 C ATOM 504 CE2 PHE A 35 -11.451 4.285 -8.621 1.00 10.32 C ATOM 505 CZ PHE A 35 -10.273 4.766 -9.159 1.00 25.21 C ATOM 0 H PHE A 35 -10.067 -0.129 -8.449 1.00 31.11 H new ATOM 0 HA PHE A 35 -8.757 0.455 -6.751 1.00 51.04 H new ATOM 0 HB2 PHE A 35 -11.138 1.864 -5.499 1.00 70.32 H new ATOM 0 HB3 PHE A 35 -9.439 2.210 -5.243 1.00 70.32 H new ATOM 0 HD1 PHE A 35 -8.077 3.042 -7.273 1.00 13.11 H new ATOM 0 HD2 PHE A 35 -12.336 2.983 -7.181 1.00 51.31 H new ATOM 0 HE1 PHE A 35 -8.139 4.693 -9.090 1.00 4.42 H new ATOM 0 HE2 PHE A 35 -12.401 4.634 -8.999 1.00 10.32 H new ATOM 0 HZ PHE A 35 -10.300 5.491 -9.959 1.00 25.21 H new ATOM 515 N LYS A 36 -9.432 -1.704 -5.466 1.00 34.12 N ATOM 516 CA LYS A 36 -9.549 -2.743 -4.451 1.00 21.30 C ATOM 517 C LYS A 36 -8.213 -3.448 -4.237 1.00 54.13 C ATOM 518 O LYS A 36 -7.515 -3.780 -5.195 1.00 74.11 O ATOM 519 CB LYS A 36 -10.616 -3.764 -4.856 1.00 52.33 C ATOM 520 CG LYS A 36 -11.583 -4.109 -3.737 1.00 30.02 C ATOM 521 CD LYS A 36 -12.570 -2.982 -3.485 1.00 2.40 C ATOM 522 CE LYS A 36 -13.497 -3.302 -2.323 1.00 31.25 C ATOM 523 NZ LYS A 36 -14.846 -2.701 -2.507 1.00 31.35 N ATOM 0 H LYS A 36 -8.876 -1.970 -6.279 1.00 34.12 H new ATOM 0 HA LYS A 36 -9.845 -2.269 -3.515 1.00 21.30 H new ATOM 0 HB2 LYS A 36 -11.179 -3.372 -5.703 1.00 52.33 H new ATOM 0 HB3 LYS A 36 -10.124 -4.676 -5.194 1.00 52.33 H new ATOM 0 HG2 LYS A 36 -12.126 -5.019 -3.992 1.00 30.02 H new ATOM 0 HG3 LYS A 36 -11.025 -4.316 -2.824 1.00 30.02 H new ATOM 0 HD2 LYS A 36 -12.026 -2.061 -3.275 1.00 2.40 H new ATOM 0 HD3 LYS A 36 -13.160 -2.806 -4.384 1.00 2.40 H new ATOM 0 HE2 LYS A 36 -13.592 -4.383 -2.222 1.00 31.25 H new ATOM 0 HE3 LYS A 36 -13.058 -2.932 -1.396 1.00 31.25 H new ATOM 0 HZ1 LYS A 36 -15.447 -2.942 -1.694 1.00 31.35 H new ATOM 0 HZ2 LYS A 36 -14.759 -1.667 -2.578 1.00 31.35 H new ATOM 0 HZ3 LYS A 36 -15.276 -3.073 -3.378 1.00 31.35 H new ATOM 537 N TRP A 37 -7.863 -3.673 -2.976 1.00 13.42 N ATOM 538 CA TRP A 37 -6.611 -4.339 -2.637 1.00 3.00 C ATOM 539 C TRP A 37 -6.675 -5.824 -2.980 1.00 3.43 C ATOM 540 O TRP A 37 -7.692 -6.479 -2.754 1.00 30.32 O ATOM 541 CB TRP A 37 -6.299 -4.159 -1.150 1.00 51.32 C ATOM 542 CG TRP A 37 -5.531 -2.907 -0.853 1.00 13.15 C ATOM 543 CD1 TRP A 37 -5.847 -1.953 0.074 1.00 60.44 C ATOM 544 CD2 TRP A 37 -4.323 -2.472 -1.484 1.00 62.02 C ATOM 545 NE1 TRP A 37 -4.906 -0.951 0.055 1.00 23.22 N ATOM 546 CE2 TRP A 37 -3.960 -1.246 -0.890 1.00 75.31 C ATOM 547 CE3 TRP A 37 -3.510 -2.999 -2.491 1.00 21.31 C ATOM 548 CZ2 TRP A 37 -2.822 -0.543 -1.273 1.00 54.35 C ATOM 549 CZ3 TRP A 37 -2.381 -2.299 -2.870 1.00 40.42 C ATOM 550 CH2 TRP A 37 -2.044 -1.081 -2.262 1.00 73.42 C ATOM 0 H TRP A 37 -8.429 -3.404 -2.171 1.00 13.42 H new ATOM 0 HA TRP A 37 -5.815 -3.883 -3.225 1.00 3.00 H new ATOM 0 HB2 TRP A 37 -7.233 -4.146 -0.589 1.00 51.32 H new ATOM 0 HB3 TRP A 37 -5.729 -5.019 -0.799 1.00 51.32 H new ATOM 0 HD1 TRP A 37 -6.708 -1.982 0.725 1.00 60.44 H new ATOM 0 HE1 TRP A 37 -4.912 -0.122 0.649 1.00 23.22 H new ATOM 0 HE3 TRP A 37 -3.760 -3.937 -2.965 1.00 21.31 H new ATOM 0 HZ2 TRP A 37 -2.562 0.395 -0.806 1.00 54.35 H new ATOM 0 HZ3 TRP A 37 -1.747 -2.697 -3.648 1.00 40.42 H new ATOM 0 HH2 TRP A 37 -1.154 -0.558 -2.580 1.00 73.42 H new ATOM 561 N ARG A 38 -5.581 -6.348 -3.524 1.00 75.34 N ATOM 562 CA ARG A 38 -5.515 -7.756 -3.898 1.00 41.54 C ATOM 563 C ARG A 38 -4.169 -8.359 -3.505 1.00 60.34 C ATOM 564 O ARG A 38 -3.115 -7.857 -3.896 1.00 10.32 O ATOM 565 CB ARG A 38 -5.738 -7.916 -5.403 1.00 24.51 C ATOM 566 CG ARG A 38 -6.813 -8.932 -5.753 1.00 64.44 C ATOM 567 CD ARG A 38 -8.207 -8.370 -5.526 1.00 13.11 C ATOM 568 NE ARG A 38 -9.229 -9.134 -6.236 1.00 41.32 N ATOM 569 CZ ARG A 38 -10.454 -8.679 -6.474 1.00 30.11 C ATOM 570 NH1 ARG A 38 -10.808 -7.470 -6.061 1.00 25.30 N ATOM 571 NH2 ARG A 38 -11.328 -9.435 -7.127 1.00 15.31 N ATOM 0 H ARG A 38 -4.730 -5.820 -3.715 1.00 75.34 H new ATOM 0 HA ARG A 38 -6.302 -8.287 -3.363 1.00 41.54 H new ATOM 0 HB2 ARG A 38 -6.011 -6.949 -5.826 1.00 24.51 H new ATOM 0 HB3 ARG A 38 -4.800 -8.215 -5.871 1.00 24.51 H new ATOM 0 HG2 ARG A 38 -6.706 -9.232 -6.795 1.00 64.44 H new ATOM 0 HG3 ARG A 38 -6.678 -9.829 -5.148 1.00 64.44 H new ATOM 0 HD2 ARG A 38 -8.429 -8.372 -4.459 1.00 13.11 H new ATOM 0 HD3 ARG A 38 -8.237 -7.331 -5.856 1.00 13.11 H new ATOM 0 HE ARG A 38 -8.989 -10.068 -6.567 1.00 41.32 H new ATOM 0 HH11 ARG A 38 -10.139 -6.886 -5.559 1.00 25.30 H new ATOM 0 HH12 ARG A 38 -11.749 -7.123 -6.245 1.00 25.30 H new ATOM 0 HH21 ARG A 38 -11.059 -10.366 -7.446 1.00 15.31 H new ATOM 0 HH22 ARG A 38 -12.269 -9.085 -7.310 1.00 15.31 H new ATOM 585 N ARG A 39 -4.213 -9.438 -2.732 1.00 1.41 N ATOM 586 CA ARG A 39 -2.998 -10.108 -2.285 1.00 31.55 C ATOM 587 C ARG A 39 -2.521 -11.118 -3.325 1.00 21.34 C ATOM 588 O ARG A 39 -3.226 -12.075 -3.643 1.00 32.31 O ATOM 589 CB ARG A 39 -3.240 -10.812 -0.948 1.00 72.30 C ATOM 590 CG ARG A 39 -2.010 -10.867 -0.057 1.00 41.04 C ATOM 591 CD ARG A 39 -1.909 -12.197 0.672 1.00 61.41 C ATOM 592 NE ARG A 39 -1.529 -12.028 2.071 1.00 44.31 N ATOM 593 CZ ARG A 39 -2.385 -11.698 3.031 1.00 11.05 C ATOM 594 NH1 ARG A 39 -3.665 -11.504 2.744 1.00 50.12 N ATOM 595 NH2 ARG A 39 -1.963 -11.562 4.281 1.00 1.41 N ATOM 0 H ARG A 39 -5.077 -9.867 -2.402 1.00 1.41 H new ATOM 0 HA ARG A 39 -2.223 -9.352 -2.154 1.00 31.55 H new ATOM 0 HB2 ARG A 39 -4.041 -10.298 -0.416 1.00 72.30 H new ATOM 0 HB3 ARG A 39 -3.585 -11.828 -1.139 1.00 72.30 H new ATOM 0 HG2 ARG A 39 -1.115 -10.713 -0.660 1.00 41.04 H new ATOM 0 HG3 ARG A 39 -2.049 -10.055 0.669 1.00 41.04 H new ATOM 0 HD2 ARG A 39 -2.867 -12.714 0.617 1.00 61.41 H new ATOM 0 HD3 ARG A 39 -1.176 -12.830 0.171 1.00 61.41 H new ATOM 0 HE ARG A 39 -0.552 -12.171 2.325 1.00 44.31 H new ATOM 0 HH11 ARG A 39 -3.994 -11.608 1.784 1.00 50.12 H new ATOM 0 HH12 ARG A 39 -4.321 -11.251 3.483 1.00 50.12 H new ATOM 0 HH21 ARG A 39 -0.979 -11.711 4.506 1.00 1.41 H new ATOM 0 HH22 ARG A 39 -2.622 -11.308 5.017 1.00 1.41 H new ATOM 609 N ILE A 40 -1.320 -10.897 -3.849 1.00 71.31 N ATOM 610 CA ILE A 40 -0.749 -11.788 -4.851 1.00 61.41 C ATOM 611 C ILE A 40 0.637 -12.269 -4.434 1.00 34.32 C ATOM 612 O ILE A 40 1.356 -11.601 -3.691 1.00 13.13 O ATOM 613 CB ILE A 40 -0.648 -11.099 -6.225 1.00 34.34 C ATOM 614 CG1 ILE A 40 0.497 -10.084 -6.228 1.00 72.54 C ATOM 615 CG2 ILE A 40 -1.965 -10.421 -6.575 1.00 1.04 C ATOM 616 CD1 ILE A 40 0.582 -9.274 -7.503 1.00 64.21 C ATOM 0 H ILE A 40 -0.724 -10.109 -3.596 1.00 71.31 H new ATOM 0 HA ILE A 40 -1.420 -12.644 -4.930 1.00 61.41 H new ATOM 0 HB ILE A 40 -0.439 -11.856 -6.981 1.00 34.34 H new ATOM 0 HG12 ILE A 40 0.373 -9.406 -5.384 1.00 72.54 H new ATOM 0 HG13 ILE A 40 1.439 -10.611 -6.078 1.00 72.54 H new ATOM 0 HG21 ILE A 40 -1.878 -9.938 -7.549 1.00 1.04 H new ATOM 0 HG22 ILE A 40 -2.760 -11.166 -6.609 1.00 1.04 H new ATOM 0 HG23 ILE A 40 -2.201 -9.672 -5.819 1.00 1.04 H new ATOM 0 HD11 ILE A 40 1.416 -8.575 -7.435 1.00 64.21 H new ATOM 0 HD12 ILE A 40 0.737 -9.943 -8.349 1.00 64.21 H new ATOM 0 HD13 ILE A 40 -0.346 -8.719 -7.644 1.00 64.21 H new ATOM 628 N PRO A 41 1.023 -13.457 -4.923 1.00 73.10 N ATOM 629 CA PRO A 41 2.326 -14.054 -4.616 1.00 52.54 C ATOM 630 C PRO A 41 3.477 -13.299 -5.272 1.00 4.14 C ATOM 631 O PRO A 41 3.291 -12.615 -6.278 1.00 2.53 O ATOM 632 CB PRO A 41 2.214 -15.466 -5.197 1.00 25.24 C ATOM 633 CG PRO A 41 1.195 -15.353 -6.276 1.00 32.30 C ATOM 634 CD PRO A 41 0.217 -14.309 -5.815 1.00 15.01 C ATOM 0 HA PRO A 41 2.543 -14.033 -3.548 1.00 52.54 H new ATOM 0 HB2 PRO A 41 3.171 -15.809 -5.591 1.00 25.24 H new ATOM 0 HB3 PRO A 41 1.907 -16.184 -4.436 1.00 25.24 H new ATOM 0 HG2 PRO A 41 1.657 -15.065 -7.220 1.00 32.30 H new ATOM 0 HG3 PRO A 41 0.696 -16.308 -6.443 1.00 32.30 H new ATOM 0 HD2 PRO A 41 -0.190 -13.742 -6.652 1.00 15.01 H new ATOM 0 HD3 PRO A 41 -0.628 -14.754 -5.290 1.00 15.01 H new ATOM 642 N ALA A 42 4.668 -13.428 -4.695 1.00 12.41 N ATOM 643 CA ALA A 42 5.850 -12.760 -5.225 1.00 12.21 C ATOM 644 C ALA A 42 6.237 -13.326 -6.587 1.00 14.32 C ATOM 645 O ALA A 42 7.053 -12.744 -7.302 1.00 73.40 O ATOM 646 CB ALA A 42 7.011 -12.889 -4.249 1.00 50.12 C ATOM 0 H ALA A 42 4.839 -13.989 -3.861 1.00 12.41 H new ATOM 0 HA ALA A 42 5.613 -11.704 -5.354 1.00 12.21 H new ATOM 0 HB1 ALA A 42 7.887 -12.386 -4.657 1.00 50.12 H new ATOM 0 HB2 ALA A 42 6.740 -12.431 -3.298 1.00 50.12 H new ATOM 0 HB3 ALA A 42 7.239 -13.943 -4.092 1.00 50.12 H new ATOM 652 N SER A 43 5.644 -14.462 -6.940 1.00 44.11 N ATOM 653 CA SER A 43 5.931 -15.109 -8.215 1.00 54.34 C ATOM 654 C SER A 43 5.222 -14.389 -9.360 1.00 4.04 C ATOM 655 O SER A 43 5.769 -14.251 -10.454 1.00 21.03 O ATOM 656 CB SER A 43 5.499 -16.576 -8.175 1.00 51.34 C ATOM 657 OG SER A 43 6.603 -17.424 -7.913 1.00 61.44 O ATOM 0 H SER A 43 4.962 -14.953 -6.362 1.00 44.11 H new ATOM 0 HA SER A 43 7.006 -15.059 -8.387 1.00 54.34 H new ATOM 0 HB2 SER A 43 4.739 -16.714 -7.406 1.00 51.34 H new ATOM 0 HB3 SER A 43 5.043 -16.850 -9.126 1.00 51.34 H new ATOM 0 HG SER A 43 6.301 -18.356 -7.891 1.00 61.44 H new ATOM 663 N VAL A 44 4.002 -13.933 -9.098 1.00 61.30 N ATOM 664 CA VAL A 44 3.217 -13.227 -10.104 1.00 43.34 C ATOM 665 C VAL A 44 3.431 -11.721 -10.009 1.00 12.41 C ATOM 666 O VAL A 44 3.315 -11.002 -11.003 1.00 2.21 O ATOM 667 CB VAL A 44 1.715 -13.532 -9.961 1.00 2.13 C ATOM 668 CG1 VAL A 44 1.150 -12.861 -8.718 1.00 61.42 C ATOM 669 CG2 VAL A 44 0.960 -13.090 -11.205 1.00 44.51 C ATOM 0 H VAL A 44 3.535 -14.040 -8.197 1.00 61.30 H new ATOM 0 HA VAL A 44 3.559 -13.579 -11.077 1.00 43.34 H new ATOM 0 HB VAL A 44 1.590 -14.609 -9.852 1.00 2.13 H new ATOM 0 HG11 VAL A 44 0.087 -13.088 -8.633 1.00 61.42 H new ATOM 0 HG12 VAL A 44 1.672 -13.232 -7.836 1.00 61.42 H new ATOM 0 HG13 VAL A 44 1.286 -11.782 -8.793 1.00 61.42 H new ATOM 0 HG21 VAL A 44 -0.100 -13.314 -11.086 1.00 44.51 H new ATOM 0 HG22 VAL A 44 1.091 -12.017 -11.348 1.00 44.51 H new ATOM 0 HG23 VAL A 44 1.347 -13.622 -12.074 1.00 44.51 H new ATOM 679 N VAL A 45 3.742 -11.246 -8.807 1.00 64.53 N ATOM 680 CA VAL A 45 3.973 -9.826 -8.582 1.00 13.25 C ATOM 681 C VAL A 45 5.038 -9.285 -9.528 1.00 43.33 C ATOM 682 O VAL A 45 5.060 -8.095 -9.842 1.00 21.22 O ATOM 683 CB VAL A 45 4.405 -9.551 -7.129 1.00 12.51 C ATOM 684 CG1 VAL A 45 5.906 -9.748 -6.971 1.00 55.05 C ATOM 685 CG2 VAL A 45 3.997 -8.146 -6.709 1.00 62.52 C ATOM 0 H VAL A 45 3.840 -11.826 -7.974 1.00 64.53 H new ATOM 0 HA VAL A 45 3.028 -9.318 -8.775 1.00 13.25 H new ATOM 0 HB VAL A 45 3.899 -10.263 -6.477 1.00 12.51 H new ATOM 0 HG11 VAL A 45 6.192 -9.549 -5.938 1.00 55.05 H new ATOM 0 HG12 VAL A 45 6.167 -10.774 -7.229 1.00 55.05 H new ATOM 0 HG13 VAL A 45 6.435 -9.062 -7.633 1.00 55.05 H new ATOM 0 HG21 VAL A 45 4.310 -7.969 -5.680 1.00 62.52 H new ATOM 0 HG22 VAL A 45 4.474 -7.417 -7.364 1.00 62.52 H new ATOM 0 HG23 VAL A 45 2.914 -8.045 -6.782 1.00 62.52 H new ATOM 695 N GLY A 46 5.924 -10.168 -9.982 1.00 11.53 N ATOM 696 CA GLY A 46 6.980 -9.760 -10.889 1.00 63.11 C ATOM 697 C GLY A 46 6.664 -10.091 -12.333 1.00 73.32 C ATOM 698 O GLY A 46 7.565 -10.194 -13.166 1.00 43.30 O ATOM 0 H GLY A 46 5.928 -11.158 -9.737 1.00 11.53 H new ATOM 0 HA2 GLY A 46 7.143 -8.686 -10.793 1.00 63.11 H new ATOM 0 HA3 GLY A 46 7.910 -10.250 -10.602 1.00 63.11 H new ATOM 702 N SER A 47 5.380 -10.261 -12.632 1.00 35.12 N ATOM 703 CA SER A 47 4.947 -10.589 -13.986 1.00 11.13 C ATOM 704 C SER A 47 3.739 -9.748 -14.387 1.00 73.05 C ATOM 705 O SER A 47 3.650 -9.271 -15.519 1.00 55.34 O ATOM 706 CB SER A 47 4.604 -12.077 -14.089 1.00 0.53 C ATOM 707 OG SER A 47 5.303 -12.829 -13.112 1.00 54.10 O ATOM 0 H SER A 47 4.621 -10.177 -11.955 1.00 35.12 H new ATOM 0 HA SER A 47 5.767 -10.365 -14.668 1.00 11.13 H new ATOM 0 HB2 SER A 47 3.531 -12.216 -13.960 1.00 0.53 H new ATOM 0 HB3 SER A 47 4.856 -12.444 -15.084 1.00 0.53 H new ATOM 0 HG SER A 47 5.066 -13.776 -13.197 1.00 54.10 H new ATOM 713 N ILE A 48 2.811 -9.571 -13.453 1.00 61.51 N ATOM 714 CA ILE A 48 1.609 -8.788 -13.709 1.00 74.30 C ATOM 715 C ILE A 48 1.949 -7.321 -13.945 1.00 3.01 C ATOM 716 O ILE A 48 1.221 -6.608 -14.636 1.00 54.33 O ATOM 717 CB ILE A 48 0.611 -8.891 -12.540 1.00 54.54 C ATOM 718 CG1 ILE A 48 1.294 -8.518 -11.223 1.00 2.30 C ATOM 719 CG2 ILE A 48 0.030 -10.295 -12.462 1.00 10.54 C ATOM 720 CD1 ILE A 48 0.694 -7.300 -10.555 1.00 53.12 C ATOM 0 H ILE A 48 2.869 -9.960 -12.512 1.00 61.51 H new ATOM 0 HA ILE A 48 1.148 -9.200 -14.607 1.00 74.30 H new ATOM 0 HB ILE A 48 -0.205 -8.190 -12.716 1.00 54.54 H new ATOM 0 HG12 ILE A 48 1.233 -9.365 -10.539 1.00 2.30 H new ATOM 0 HG13 ILE A 48 2.352 -8.335 -11.411 1.00 2.30 H new ATOM 0 HG21 ILE A 48 -0.673 -10.352 -11.631 1.00 10.54 H new ATOM 0 HG22 ILE A 48 -0.488 -10.527 -13.393 1.00 10.54 H new ATOM 0 HG23 ILE A 48 0.835 -11.014 -12.306 1.00 10.54 H new ATOM 0 HD11 ILE A 48 1.228 -7.094 -9.627 1.00 53.12 H new ATOM 0 HD12 ILE A 48 0.779 -6.441 -11.221 1.00 53.12 H new ATOM 0 HD13 ILE A 48 -0.357 -7.486 -10.335 1.00 53.12 H new ATOM 805 N TRP A 54 -2.646 -1.959 -12.908 1.00 30.04 N ATOM 806 CA TRP A 54 -3.074 -3.340 -12.709 1.00 51.41 C ATOM 807 C TRP A 54 -4.562 -3.407 -12.385 1.00 42.24 C ATOM 808 O TRP A 54 -5.090 -2.555 -11.671 1.00 25.05 O ATOM 809 CB TRP A 54 -2.264 -3.989 -11.586 1.00 50.12 C ATOM 810 CG TRP A 54 -2.723 -5.376 -11.249 1.00 13.41 C ATOM 811 CD1 TRP A 54 -2.194 -6.548 -11.708 1.00 74.32 C ATOM 812 CD2 TRP A 54 -3.806 -5.733 -10.383 1.00 71.32 C ATOM 813 NE1 TRP A 54 -2.883 -7.613 -11.180 1.00 24.23 N ATOM 814 CE2 TRP A 54 -3.875 -7.140 -10.363 1.00 34.11 C ATOM 815 CE3 TRP A 54 -4.722 -5.003 -9.622 1.00 44.11 C ATOM 816 CZ2 TRP A 54 -4.826 -7.828 -9.611 1.00 41.32 C ATOM 817 CZ3 TRP A 54 -5.664 -5.686 -8.877 1.00 20.12 C ATOM 818 CH2 TRP A 54 -5.710 -7.087 -8.875 1.00 54.43 C ATOM 0 HA TRP A 54 -2.899 -3.886 -13.636 1.00 51.41 H new ATOM 0 HB2 TRP A 54 -1.214 -4.022 -11.877 1.00 50.12 H new ATOM 0 HB3 TRP A 54 -2.328 -3.366 -10.694 1.00 50.12 H new ATOM 0 HD1 TRP A 54 -1.357 -6.626 -12.386 1.00 74.32 H new ATOM 0 HE1 TRP A 54 -2.687 -8.597 -11.366 1.00 24.23 H new ATOM 0 HE3 TRP A 54 -4.694 -3.923 -9.616 1.00 44.11 H new ATOM 0 HZ2 TRP A 54 -4.864 -8.907 -9.609 1.00 41.32 H new ATOM 0 HZ3 TRP A 54 -6.377 -5.131 -8.286 1.00 20.12 H new ATOM 0 HH2 TRP A 54 -6.458 -7.591 -8.281 1.00 54.43 H new ATOM 829 N ILE A 55 -5.232 -4.424 -12.915 1.00 73.34 N ATOM 830 CA ILE A 55 -6.660 -4.603 -12.680 1.00 42.32 C ATOM 831 C ILE A 55 -6.963 -6.011 -12.178 1.00 52.22 C ATOM 832 O ILE A 55 -6.100 -6.889 -12.202 1.00 0.12 O ATOM 833 CB ILE A 55 -7.478 -4.338 -13.958 1.00 63.35 C ATOM 834 CG1 ILE A 55 -6.804 -4.992 -15.166 1.00 40.32 C ATOM 835 CG2 ILE A 55 -7.642 -2.843 -14.182 1.00 13.43 C ATOM 836 CD1 ILE A 55 -7.500 -4.702 -16.477 1.00 61.35 C ATOM 0 H ILE A 55 -4.810 -5.137 -13.510 1.00 73.34 H new ATOM 0 HA ILE A 55 -6.948 -3.879 -11.918 1.00 42.32 H new ATOM 0 HB ILE A 55 -8.468 -4.778 -13.835 1.00 63.35 H new ATOM 0 HG12 ILE A 55 -5.772 -4.646 -15.228 1.00 40.32 H new ATOM 0 HG13 ILE A 55 -6.770 -6.071 -15.013 1.00 40.32 H new ATOM 0 HG21 ILE A 55 -8.222 -2.672 -15.089 1.00 13.43 H new ATOM 0 HG22 ILE A 55 -8.161 -2.402 -13.331 1.00 13.43 H new ATOM 0 HG23 ILE A 55 -6.660 -2.381 -14.287 1.00 13.43 H new ATOM 0 HD11 ILE A 55 -6.967 -5.197 -17.289 1.00 61.35 H new ATOM 0 HD12 ILE A 55 -8.524 -5.073 -16.435 1.00 61.35 H new ATOM 0 HD13 ILE A 55 -7.511 -3.626 -16.653 1.00 61.35 H new ATOM 848 N CYS A 56 -8.195 -6.219 -11.726 1.00 44.53 N ATOM 849 CA CYS A 56 -8.613 -7.520 -11.220 1.00 34.43 C ATOM 850 C CYS A 56 -8.487 -8.591 -12.299 1.00 64.20 C ATOM 851 O CYS A 56 -7.879 -9.639 -12.080 1.00 4.20 O ATOM 852 CB CYS A 56 -10.058 -7.455 -10.719 1.00 22.10 C ATOM 853 SG CYS A 56 -10.340 -6.207 -9.422 1.00 1.20 S ATOM 0 H CYS A 56 -8.921 -5.503 -11.700 1.00 44.53 H new ATOM 0 HA CYS A 56 -7.958 -7.786 -10.391 1.00 34.43 H new ATOM 0 HB2 CYS A 56 -10.714 -7.241 -11.563 1.00 22.10 H new ATOM 0 HB3 CYS A 56 -10.342 -8.434 -10.334 1.00 22.10 H new ATOM 0 HG CYS A 56 -11.177 -5.312 -9.856 1.00 1.20 H new ATOM 858 N MET A 57 -9.063 -8.320 -13.465 1.00 15.13 N ATOM 859 CA MET A 57 -9.013 -9.259 -14.579 1.00 74.22 C ATOM 860 C MET A 57 -7.570 -9.563 -14.969 1.00 23.04 C ATOM 861 O MET A 57 -7.287 -10.587 -15.588 1.00 73.54 O ATOM 862 CB MET A 57 -9.770 -8.696 -15.784 1.00 35.15 C ATOM 863 CG MET A 57 -9.279 -7.328 -16.225 1.00 54.00 C ATOM 864 SD MET A 57 -10.627 -6.166 -16.518 1.00 34.42 S ATOM 865 CE MET A 57 -11.047 -5.705 -14.839 1.00 74.53 C ATOM 0 H MET A 57 -9.570 -7.457 -13.663 1.00 15.13 H new ATOM 0 HA MET A 57 -9.489 -10.186 -14.261 1.00 74.22 H new ATOM 0 HB2 MET A 57 -9.678 -9.392 -16.618 1.00 35.15 H new ATOM 0 HB3 MET A 57 -10.830 -8.631 -15.539 1.00 35.15 H new ATOM 0 HG2 MET A 57 -8.614 -6.922 -15.463 1.00 54.00 H new ATOM 0 HG3 MET A 57 -8.691 -7.434 -17.137 1.00 54.00 H new ATOM 0 HE1 MET A 57 -11.432 -4.685 -14.827 1.00 74.53 H new ATOM 0 HE2 MET A 57 -11.808 -6.384 -14.455 1.00 74.53 H new ATOM 0 HE3 MET A 57 -10.157 -5.765 -14.212 1.00 74.53 H new ATOM 875 N ASN A 58 -6.661 -8.667 -14.600 1.00 42.45 N ATOM 876 CA ASN A 58 -5.246 -8.839 -14.913 1.00 33.33 C ATOM 877 C ASN A 58 -4.578 -9.774 -13.909 1.00 73.12 C ATOM 878 O ASN A 58 -3.435 -10.188 -14.098 1.00 20.43 O ATOM 879 CB ASN A 58 -4.535 -7.485 -14.918 1.00 65.32 C ATOM 880 CG ASN A 58 -4.422 -6.896 -16.311 1.00 43.11 C ATOM 881 OD1 ASN A 58 -3.372 -6.383 -16.697 1.00 1.31 O ATOM 882 ND2 ASN A 58 -5.507 -6.967 -17.073 1.00 13.12 N ATOM 0 H ASN A 58 -6.878 -7.814 -14.084 1.00 42.45 H new ATOM 0 HA ASN A 58 -5.170 -9.285 -15.905 1.00 33.33 H new ATOM 0 HB2 ASN A 58 -5.077 -6.791 -14.276 1.00 65.32 H new ATOM 0 HB3 ASN A 58 -3.538 -7.600 -14.493 1.00 65.32 H new ATOM 0 HD21 ASN A 58 -5.491 -6.587 -18.020 1.00 13.12 H new ATOM 0 HD22 ASN A 58 -6.356 -7.401 -16.712 1.00 13.12 H new ATOM 889 N ASN A 59 -5.301 -10.103 -12.843 1.00 61.00 N ATOM 890 CA ASN A 59 -4.778 -10.989 -11.810 1.00 5.21 C ATOM 891 C ASN A 59 -4.449 -12.363 -12.386 1.00 74.11 C ATOM 892 O ASN A 59 -5.034 -12.785 -13.384 1.00 31.15 O ATOM 893 CB ASN A 59 -5.790 -11.130 -10.670 1.00 65.14 C ATOM 894 CG ASN A 59 -5.153 -11.639 -9.392 1.00 22.41 C ATOM 895 OD1 ASN A 59 -3.930 -11.746 -9.294 1.00 31.34 O ATOM 896 ND2 ASN A 59 -5.982 -11.956 -8.404 1.00 23.35 N ATOM 0 H ASN A 59 -6.250 -9.770 -12.672 1.00 61.00 H new ATOM 0 HA ASN A 59 -3.860 -10.549 -11.420 1.00 5.21 H new ATOM 0 HB2 ASN A 59 -6.257 -10.163 -10.480 1.00 65.14 H new ATOM 0 HB3 ASN A 59 -6.583 -11.813 -10.974 1.00 65.14 H new ATOM 0 HD21 ASN A 59 -5.612 -12.304 -7.520 1.00 23.35 H new ATOM 0 HD22 ASN A 59 -6.989 -11.851 -8.530 1.00 23.35 H new ATOM 903 N SER A 60 -3.511 -13.056 -11.750 1.00 45.54 N ATOM 904 CA SER A 60 -3.102 -14.382 -12.202 1.00 41.31 C ATOM 905 C SER A 60 -4.142 -15.430 -11.820 1.00 42.00 C ATOM 906 O SER A 60 -4.255 -16.472 -12.466 1.00 12.40 O ATOM 907 CB SER A 60 -1.744 -14.751 -11.602 1.00 60.21 C ATOM 908 OG SER A 60 -1.709 -16.116 -11.220 1.00 52.12 O ATOM 0 H SER A 60 -3.020 -12.723 -10.921 1.00 45.54 H new ATOM 0 HA SER A 60 -3.017 -14.359 -13.288 1.00 41.31 H new ATOM 0 HB2 SER A 60 -0.956 -14.553 -12.329 1.00 60.21 H new ATOM 0 HB3 SER A 60 -1.543 -14.122 -10.735 1.00 60.21 H new ATOM 0 HG SER A 60 -0.830 -16.327 -10.841 1.00 52.12 H new ATOM 914 N ASP A 61 -4.898 -15.147 -10.765 1.00 41.24 N ATOM 915 CA ASP A 61 -5.931 -16.064 -10.297 1.00 4.55 C ATOM 916 C ASP A 61 -7.065 -16.169 -11.310 1.00 11.33 C ATOM 917 O ASP A 61 -6.958 -15.675 -12.432 1.00 41.04 O ATOM 918 CB ASP A 61 -6.478 -15.601 -8.945 1.00 21.43 C ATOM 919 CG ASP A 61 -6.599 -16.739 -7.950 1.00 32.51 C ATOM 920 OD1 ASP A 61 -5.552 -17.250 -7.500 1.00 52.24 O ATOM 921 OD2 ASP A 61 -7.743 -17.118 -7.619 1.00 54.25 O ATOM 0 H ASP A 61 -4.815 -14.290 -10.218 1.00 41.24 H new ATOM 0 HA ASP A 61 -5.481 -17.050 -10.180 1.00 4.55 H new ATOM 0 HB2 ASP A 61 -5.823 -14.832 -8.535 1.00 21.43 H new ATOM 0 HB3 ASP A 61 -7.456 -15.143 -9.090 1.00 21.43 H new ATOM 926 N LYS A 62 -8.154 -16.817 -10.907 1.00 41.50 N ATOM 927 CA LYS A 62 -9.310 -16.988 -11.779 1.00 0.31 C ATOM 928 C LYS A 62 -10.589 -16.537 -11.081 1.00 22.01 C ATOM 929 O LYS A 62 -11.367 -15.759 -11.632 1.00 51.02 O ATOM 930 CB LYS A 62 -9.439 -18.451 -12.208 1.00 73.02 C ATOM 931 CG LYS A 62 -8.124 -19.078 -12.637 1.00 3.12 C ATOM 932 CD LYS A 62 -7.447 -19.798 -11.483 1.00 60.24 C ATOM 933 CE LYS A 62 -8.224 -21.037 -11.067 1.00 20.30 C ATOM 934 NZ LYS A 62 -7.419 -22.280 -11.236 1.00 14.22 N ATOM 0 H LYS A 62 -8.259 -17.232 -9.981 1.00 41.50 H new ATOM 0 HA LYS A 62 -9.162 -16.368 -12.663 1.00 0.31 H new ATOM 0 HB2 LYS A 62 -9.854 -19.028 -11.382 1.00 73.02 H new ATOM 0 HB3 LYS A 62 -10.149 -18.518 -13.032 1.00 73.02 H new ATOM 0 HG2 LYS A 62 -8.303 -19.781 -13.451 1.00 3.12 H new ATOM 0 HG3 LYS A 62 -7.460 -18.305 -13.024 1.00 3.12 H new ATOM 0 HD2 LYS A 62 -6.435 -20.082 -11.773 1.00 60.24 H new ATOM 0 HD3 LYS A 62 -7.357 -19.121 -10.633 1.00 60.24 H new ATOM 0 HE2 LYS A 62 -8.530 -20.941 -10.025 1.00 20.30 H new ATOM 0 HE3 LYS A 62 -9.135 -21.111 -11.661 1.00 20.30 H new ATOM 0 HZ1 LYS A 62 -7.984 -23.102 -10.942 1.00 14.22 H new ATOM 0 HZ2 LYS A 62 -7.149 -22.385 -12.235 1.00 14.22 H new ATOM 0 HZ3 LYS A 62 -6.562 -22.221 -10.650 1.00 14.22 H new ATOM 948 N ARG A 63 -10.799 -17.029 -9.864 1.00 11.20 N ATOM 949 CA ARG A 63 -11.983 -16.676 -9.091 1.00 12.32 C ATOM 950 C ARG A 63 -11.864 -15.263 -8.528 1.00 1.51 C ATOM 951 O ARG A 63 -12.867 -14.614 -8.232 1.00 72.02 O ATOM 952 CB ARG A 63 -12.191 -17.675 -7.951 1.00 12.33 C ATOM 953 CG ARG A 63 -12.998 -18.898 -8.353 1.00 21.02 C ATOM 954 CD ARG A 63 -12.099 -20.093 -8.630 1.00 4.43 C ATOM 955 NE ARG A 63 -12.697 -21.019 -9.588 1.00 11.34 N ATOM 956 CZ ARG A 63 -12.785 -20.774 -10.890 1.00 41.23 C ATOM 957 NH1 ARG A 63 -12.313 -19.638 -11.387 1.00 33.11 N ATOM 958 NH2 ARG A 63 -13.343 -21.665 -11.698 1.00 70.13 N ATOM 0 H ARG A 63 -10.164 -17.673 -9.393 1.00 11.20 H new ATOM 0 HA ARG A 63 -12.845 -16.711 -9.758 1.00 12.32 H new ATOM 0 HB2 ARG A 63 -11.218 -17.998 -7.580 1.00 12.33 H new ATOM 0 HB3 ARG A 63 -12.696 -17.172 -7.126 1.00 12.33 H new ATOM 0 HG2 ARG A 63 -13.702 -19.147 -7.559 1.00 21.02 H new ATOM 0 HG3 ARG A 63 -13.587 -18.671 -9.242 1.00 21.02 H new ATOM 0 HD2 ARG A 63 -11.140 -19.744 -9.014 1.00 4.43 H new ATOM 0 HD3 ARG A 63 -11.897 -20.618 -7.697 1.00 4.43 H new ATOM 0 HE ARG A 63 -13.067 -21.902 -9.238 1.00 11.34 H new ATOM 0 HH11 ARG A 63 -11.882 -18.951 -10.769 1.00 33.11 H new ATOM 0 HH12 ARG A 63 -12.382 -19.452 -12.387 1.00 33.11 H new ATOM 0 HH21 ARG A 63 -13.705 -22.540 -11.320 1.00 70.13 H new ATOM 0 HH22 ARG A 63 -13.410 -21.475 -12.698 1.00 70.13 H new ATOM 972 N PHE A 64 -10.629 -14.792 -8.382 1.00 55.21 N ATOM 973 CA PHE A 64 -10.378 -13.456 -7.854 1.00 20.20 C ATOM 974 C PHE A 64 -9.738 -12.564 -8.913 1.00 4.23 C ATOM 975 O PHE A 64 -9.102 -11.560 -8.592 1.00 14.14 O ATOM 976 CB PHE A 64 -9.475 -13.535 -6.621 1.00 2.50 C ATOM 977 CG PHE A 64 -10.189 -13.993 -5.382 1.00 33.40 C ATOM 978 CD1 PHE A 64 -10.470 -15.335 -5.185 1.00 32.32 C ATOM 979 CD2 PHE A 64 -10.580 -13.081 -4.415 1.00 34.41 C ATOM 980 CE1 PHE A 64 -11.127 -15.760 -4.045 1.00 63.25 C ATOM 981 CE2 PHE A 64 -11.237 -13.501 -3.274 1.00 1.14 C ATOM 982 CZ PHE A 64 -11.512 -14.842 -3.089 1.00 51.41 C ATOM 0 H PHE A 64 -9.787 -15.316 -8.622 1.00 55.21 H new ATOM 0 HA PHE A 64 -11.334 -13.019 -7.568 1.00 20.20 H new ATOM 0 HB2 PHE A 64 -8.650 -14.217 -6.828 1.00 2.50 H new ATOM 0 HB3 PHE A 64 -9.039 -12.553 -6.437 1.00 2.50 H new ATOM 0 HD1 PHE A 64 -10.173 -16.058 -5.930 1.00 32.32 H new ATOM 0 HD2 PHE A 64 -10.369 -12.031 -4.554 1.00 34.41 H new ATOM 0 HE1 PHE A 64 -11.339 -16.809 -3.903 1.00 63.25 H new ATOM 0 HE2 PHE A 64 -11.535 -12.781 -2.527 1.00 1.14 H new ATOM 0 HZ PHE A 64 -12.027 -15.171 -2.199 1.00 51.41 H new ATOM 992 N ALA A 65 -9.909 -12.938 -10.176 1.00 21.13 N ATOM 993 CA ALA A 65 -9.349 -12.172 -11.283 1.00 23.32 C ATOM 994 C ALA A 65 -10.450 -11.507 -12.101 1.00 11.34 C ATOM 995 O ALA A 65 -10.675 -11.859 -13.259 1.00 21.52 O ATOM 996 CB ALA A 65 -8.499 -13.069 -12.169 1.00 4.25 C ATOM 0 H ALA A 65 -10.431 -13.767 -10.459 1.00 21.13 H new ATOM 0 HA ALA A 65 -8.717 -11.388 -10.867 1.00 23.32 H new ATOM 0 HB1 ALA A 65 -8.087 -12.484 -12.991 1.00 4.25 H new ATOM 0 HB2 ALA A 65 -7.684 -13.493 -11.582 1.00 4.25 H new ATOM 0 HB3 ALA A 65 -9.115 -13.874 -12.570 1.00 4.25 H new ATOM 1002 N ASP A 66 -11.132 -10.542 -11.493 1.00 61.14 N ATOM 1003 CA ASP A 66 -12.209 -9.827 -12.167 1.00 13.41 C ATOM 1004 C ASP A 66 -12.814 -8.767 -11.250 1.00 73.15 C ATOM 1005 O ASP A 66 -12.919 -8.965 -10.040 1.00 23.33 O ATOM 1006 CB ASP A 66 -13.294 -10.805 -12.621 1.00 14.40 C ATOM 1007 CG ASP A 66 -13.228 -11.092 -14.108 1.00 42.23 C ATOM 1008 OD1 ASP A 66 -13.154 -10.127 -14.896 1.00 45.43 O ATOM 1009 OD2 ASP A 66 -13.250 -12.283 -14.484 1.00 73.30 O ATOM 0 H ASP A 66 -10.958 -10.237 -10.535 1.00 61.14 H new ATOM 0 HA ASP A 66 -11.790 -9.330 -13.042 1.00 13.41 H new ATOM 0 HB2 ASP A 66 -13.192 -11.739 -12.069 1.00 14.40 H new ATOM 0 HB3 ASP A 66 -14.274 -10.396 -12.376 1.00 14.40 H new ATOM 1014 N CYS A 67 -13.211 -7.642 -11.836 1.00 64.13 N ATOM 1015 CA CYS A 67 -13.804 -6.551 -11.073 1.00 10.43 C ATOM 1016 C CYS A 67 -15.169 -6.951 -10.522 1.00 5.51 C ATOM 1017 O CYS A 67 -15.648 -6.377 -9.543 1.00 52.41 O ATOM 1018 CB CYS A 67 -13.942 -5.304 -11.950 1.00 5.31 C ATOM 1019 SG CYS A 67 -12.472 -4.227 -11.945 1.00 53.23 S ATOM 0 H CYS A 67 -13.133 -7.463 -12.837 1.00 64.13 H new ATOM 0 HA CYS A 67 -13.145 -6.327 -10.234 1.00 10.43 H new ATOM 0 HB2 CYS A 67 -14.149 -5.614 -12.974 1.00 5.31 H new ATOM 0 HB3 CYS A 67 -14.803 -4.728 -11.611 1.00 5.31 H new ATOM 0 HG CYS A 67 -12.258 -3.790 -10.739 1.00 53.23 H new ATOM 1024 N SER A 68 -15.790 -7.940 -11.155 1.00 54.01 N ATOM 1025 CA SER A 68 -17.102 -8.416 -10.731 1.00 10.11 C ATOM 1026 C SER A 68 -17.013 -9.120 -9.381 1.00 72.10 C ATOM 1027 O SER A 68 -17.979 -9.151 -8.619 1.00 75.31 O ATOM 1028 CB SER A 68 -17.686 -9.367 -11.778 1.00 54.31 C ATOM 1029 OG SER A 68 -19.103 -9.345 -11.751 1.00 20.23 O ATOM 0 H SER A 68 -15.406 -8.428 -11.964 1.00 54.01 H new ATOM 0 HA SER A 68 -17.759 -7.553 -10.629 1.00 10.11 H new ATOM 0 HB2 SER A 68 -17.333 -9.083 -12.769 1.00 54.31 H new ATOM 0 HB3 SER A 68 -17.331 -10.381 -11.592 1.00 54.31 H new ATOM 0 HG SER A 68 -19.453 -9.959 -12.430 1.00 20.23 H new ATOM 1035 N LYS A 69 -15.846 -9.685 -9.091 1.00 2.02 N ATOM 1036 CA LYS A 69 -15.628 -10.389 -7.832 1.00 72.03 C ATOM 1037 C LYS A 69 -15.575 -9.411 -6.664 1.00 52.51 C ATOM 1038 O LYS A 69 -15.830 -8.218 -6.828 1.00 52.41 O ATOM 1039 CB LYS A 69 -14.330 -11.196 -7.894 1.00 64.25 C ATOM 1040 CG LYS A 69 -14.176 -12.003 -9.172 1.00 62.24 C ATOM 1041 CD LYS A 69 -15.291 -13.023 -9.326 1.00 42.14 C ATOM 1042 CE LYS A 69 -15.146 -13.818 -10.616 1.00 12.31 C ATOM 1043 NZ LYS A 69 -16.454 -14.350 -11.089 1.00 22.11 N ATOM 0 H LYS A 69 -15.036 -9.669 -9.711 1.00 2.02 H new ATOM 0 HA LYS A 69 -16.465 -11.069 -7.675 1.00 72.03 H new ATOM 0 HB2 LYS A 69 -13.484 -10.515 -7.800 1.00 64.25 H new ATOM 0 HB3 LYS A 69 -14.291 -11.872 -7.040 1.00 64.25 H new ATOM 0 HG2 LYS A 69 -14.176 -11.331 -10.030 1.00 62.24 H new ATOM 0 HG3 LYS A 69 -13.213 -12.514 -9.167 1.00 62.24 H new ATOM 0 HD2 LYS A 69 -15.283 -13.704 -8.475 1.00 42.14 H new ATOM 0 HD3 LYS A 69 -16.255 -12.514 -9.318 1.00 42.14 H new ATOM 0 HE2 LYS A 69 -14.712 -13.182 -11.388 1.00 12.31 H new ATOM 0 HE3 LYS A 69 -14.454 -14.645 -10.457 1.00 12.31 H new ATOM 0 HZ1 LYS A 69 -16.313 -14.885 -11.970 1.00 22.11 H new ATOM 0 HZ2 LYS A 69 -16.857 -14.977 -10.363 1.00 22.11 H new ATOM 0 HZ3 LYS A 69 -17.107 -13.560 -11.265 1.00 22.11 H new ATOM 1057 N SER A 70 -15.240 -9.923 -5.484 1.00 14.25 N ATOM 1058 CA SER A 70 -15.156 -9.095 -4.287 1.00 11.50 C ATOM 1059 C SER A 70 -13.712 -8.977 -3.808 1.00 31.11 C ATOM 1060 O SER A 70 -12.798 -9.528 -4.421 1.00 14.14 O ATOM 1061 CB SER A 70 -16.030 -9.678 -3.175 1.00 2.42 C ATOM 1062 OG SER A 70 -17.405 -9.459 -3.437 1.00 61.23 O ATOM 0 H SER A 70 -15.022 -10.908 -5.331 1.00 14.25 H new ATOM 0 HA SER A 70 -15.519 -8.098 -4.538 1.00 11.50 H new ATOM 0 HB2 SER A 70 -15.840 -10.747 -3.083 1.00 2.42 H new ATOM 0 HB3 SER A 70 -15.762 -9.223 -2.221 1.00 2.42 H new ATOM 0 HG SER A 70 -17.941 -9.843 -2.712 1.00 61.23 H new ATOM 1068 N GLN A 71 -13.518 -8.257 -2.708 1.00 3.31 N ATOM 1069 CA GLN A 71 -12.185 -8.067 -2.146 1.00 71.22 C ATOM 1070 C GLN A 71 -11.709 -9.330 -1.437 1.00 0.22 C ATOM 1071 O GLN A 71 -12.505 -10.214 -1.121 1.00 51.22 O ATOM 1072 CB GLN A 71 -12.183 -6.888 -1.172 1.00 51.12 C ATOM 1073 CG GLN A 71 -10.789 -6.404 -0.805 1.00 61.21 C ATOM 1074 CD GLN A 71 -10.792 -5.005 -0.221 1.00 25.03 C ATOM 1075 OE1 GLN A 71 -11.839 -4.367 -0.113 1.00 52.31 O ATOM 1076 NE2 GLN A 71 -9.616 -4.522 0.162 1.00 52.21 N ATOM 0 H GLN A 71 -14.265 -7.796 -2.189 1.00 3.31 H new ATOM 0 HA GLN A 71 -11.499 -7.852 -2.965 1.00 71.22 H new ATOM 0 HB2 GLN A 71 -12.741 -6.062 -1.613 1.00 51.12 H new ATOM 0 HB3 GLN A 71 -12.709 -7.178 -0.262 1.00 51.12 H new ATOM 0 HG2 GLN A 71 -10.347 -7.093 -0.085 1.00 61.21 H new ATOM 0 HG3 GLN A 71 -10.157 -6.422 -1.693 1.00 61.21 H new ATOM 0 HE21 GLN A 71 -8.773 -5.086 0.054 1.00 52.21 H new ATOM 0 HE22 GLN A 71 -9.555 -3.587 0.564 1.00 52.21 H new ATOM 1085 N GLU A 72 -10.405 -9.407 -1.188 1.00 61.22 N ATOM 1086 CA GLU A 72 -9.823 -10.563 -0.516 1.00 51.15 C ATOM 1087 C GLU A 72 -9.806 -10.362 0.996 1.00 45.40 C ATOM 1088 O GLU A 72 -10.085 -11.285 1.759 1.00 62.50 O ATOM 1089 CB GLU A 72 -8.402 -10.815 -1.024 1.00 52.51 C ATOM 1090 CG GLU A 72 -8.332 -11.117 -2.512 1.00 33.21 C ATOM 1091 CD GLU A 72 -7.452 -12.312 -2.823 1.00 24.02 C ATOM 1092 OE1 GLU A 72 -6.473 -12.537 -2.080 1.00 15.11 O ATOM 1093 OE2 GLU A 72 -7.740 -13.021 -3.809 1.00 21.44 O ATOM 0 H GLU A 72 -9.732 -8.683 -1.441 1.00 61.22 H new ATOM 0 HA GLU A 72 -10.441 -11.432 -0.743 1.00 51.15 H new ATOM 0 HB2 GLU A 72 -7.788 -9.940 -0.810 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -7.970 -11.650 -0.472 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -9.338 -11.303 -2.889 1.00 33.21 H new ATOM 0 HG3 GLU A 72 -7.951 -10.242 -3.039 1.00 33.21 H new ATOM 1100 N MET A 73 -9.476 -9.147 1.422 1.00 45.40 N ATOM 1101 CA MET A 73 -9.423 -8.822 2.843 1.00 64.30 C ATOM 1102 C MET A 73 -10.058 -7.463 3.115 1.00 22.13 C ATOM 1103 O MET A 73 -10.326 -6.696 2.190 1.00 25.10 O ATOM 1104 CB MET A 73 -7.974 -8.830 3.336 1.00 54.44 C ATOM 1105 CG MET A 73 -7.501 -10.193 3.811 1.00 22.34 C ATOM 1106 SD MET A 73 -6.361 -10.084 5.205 1.00 25.23 S ATOM 1107 CE MET A 73 -5.291 -8.753 4.665 1.00 73.43 C ATOM 0 H MET A 73 -9.241 -8.371 0.803 1.00 45.40 H new ATOM 0 HA MET A 73 -9.988 -9.581 3.385 1.00 64.30 H new ATOM 0 HB2 MET A 73 -7.323 -8.489 2.531 1.00 54.44 H new ATOM 0 HB3 MET A 73 -7.873 -8.115 4.152 1.00 54.44 H new ATOM 0 HG2 MET A 73 -8.364 -10.793 4.098 1.00 22.34 H new ATOM 0 HG3 MET A 73 -7.012 -10.712 2.986 1.00 22.34 H new ATOM 0 HE1 MET A 73 -4.366 -8.774 5.241 1.00 73.43 H new ATOM 0 HE2 MET A 73 -5.062 -8.877 3.606 1.00 73.43 H new ATOM 0 HE3 MET A 73 -5.793 -7.798 4.819 1.00 73.43 H new ATOM 1117 N SER A 74 -10.298 -7.172 4.390 1.00 51.45 N ATOM 1118 CA SER A 74 -10.907 -5.906 4.782 1.00 2.42 C ATOM 1119 C SER A 74 -9.860 -4.797 4.846 1.00 54.41 C ATOM 1120 O SER A 74 -8.676 -5.058 5.047 1.00 42.42 O ATOM 1121 CB SER A 74 -11.599 -6.048 6.139 1.00 2.43 C ATOM 1122 OG SER A 74 -12.573 -7.076 6.109 1.00 32.33 O ATOM 0 H SER A 74 -10.080 -7.795 5.168 1.00 51.45 H new ATOM 0 HA SER A 74 -11.649 -5.639 4.030 1.00 2.42 H new ATOM 0 HB2 SER A 74 -10.858 -6.267 6.908 1.00 2.43 H new ATOM 0 HB3 SER A 74 -12.071 -5.104 6.411 1.00 2.43 H new ATOM 0 HG SER A 74 -13.000 -7.148 6.988 1.00 32.33 H new ATOM 1128 N ASN A 75 -10.310 -3.558 4.672 1.00 4.42 N ATOM 1129 CA ASN A 75 -9.414 -2.408 4.710 1.00 63.43 C ATOM 1130 C ASN A 75 -8.567 -2.418 5.978 1.00 22.54 C ATOM 1131 O ASN A 75 -7.357 -2.205 5.930 1.00 45.42 O ATOM 1132 CB ASN A 75 -10.214 -1.107 4.628 1.00 75.51 C ATOM 1133 CG ASN A 75 -9.950 -0.344 3.345 1.00 52.10 C ATOM 1134 OD1 ASN A 75 -9.770 0.874 3.360 1.00 72.33 O ATOM 1135 ND2 ASN A 75 -9.924 -1.059 2.226 1.00 31.21 N ATOM 0 H ASN A 75 -11.289 -3.325 4.504 1.00 4.42 H new ATOM 0 HA ASN A 75 -8.748 -2.472 3.850 1.00 63.43 H new ATOM 0 HB2 ASN A 75 -11.278 -1.333 4.700 1.00 75.51 H new ATOM 0 HB3 ASN A 75 -9.964 -0.476 5.481 1.00 75.51 H new ATOM 0 HD21 ASN A 75 -9.749 -0.600 1.332 1.00 31.21 H new ATOM 0 HD22 ASN A 75 -10.078 -2.067 2.261 1.00 31.21 H new ATOM 1142 N GLU A 76 -9.214 -2.669 7.113 1.00 40.42 N ATOM 1143 CA GLU A 76 -8.520 -2.706 8.395 1.00 74.34 C ATOM 1144 C GLU A 76 -7.347 -3.683 8.350 1.00 13.44 C ATOM 1145 O GLU A 76 -6.238 -3.354 8.770 1.00 21.51 O ATOM 1146 CB GLU A 76 -9.487 -3.105 9.512 1.00 54.32 C ATOM 1147 CG GLU A 76 -10.261 -4.379 9.221 1.00 25.31 C ATOM 1148 CD GLU A 76 -11.371 -4.629 10.224 1.00 61.55 C ATOM 1149 OE1 GLU A 76 -11.296 -4.077 11.340 1.00 3.34 O ATOM 1150 OE2 GLU A 76 -12.314 -5.378 9.891 1.00 4.44 O ATOM 0 H GLU A 76 -10.216 -2.849 7.170 1.00 40.42 H new ATOM 0 HA GLU A 76 -8.132 -1.708 8.599 1.00 74.34 H new ATOM 0 HB2 GLU A 76 -8.926 -3.234 10.438 1.00 54.32 H new ATOM 0 HB3 GLU A 76 -10.193 -2.291 9.678 1.00 54.32 H new ATOM 0 HG2 GLU A 76 -10.688 -4.320 8.220 1.00 25.31 H new ATOM 0 HG3 GLU A 76 -9.575 -5.226 9.226 1.00 25.31 H new ATOM 1157 N GLU A 77 -7.604 -4.883 7.839 1.00 1.42 N ATOM 1158 CA GLU A 77 -6.570 -5.907 7.741 1.00 32.02 C ATOM 1159 C GLU A 77 -5.389 -5.409 6.913 1.00 71.35 C ATOM 1160 O GLU A 77 -4.246 -5.425 7.370 1.00 1.14 O ATOM 1161 CB GLU A 77 -7.142 -7.183 7.121 1.00 13.22 C ATOM 1162 CG GLU A 77 -8.226 -7.835 7.962 1.00 75.13 C ATOM 1163 CD GLU A 77 -8.264 -9.342 7.797 1.00 12.02 C ATOM 1164 OE1 GLU A 77 -7.386 -10.024 8.366 1.00 30.01 O ATOM 1165 OE2 GLU A 77 -9.172 -9.839 7.100 1.00 72.40 O ATOM 0 H GLU A 77 -8.517 -5.170 7.487 1.00 1.42 H new ATOM 0 HA GLU A 77 -6.217 -6.129 8.748 1.00 32.02 H new ATOM 0 HB2 GLU A 77 -7.549 -6.948 6.137 1.00 13.22 H new ATOM 0 HB3 GLU A 77 -6.333 -7.897 6.969 1.00 13.22 H new ATOM 0 HG2 GLU A 77 -8.062 -7.592 9.012 1.00 75.13 H new ATOM 0 HG3 GLU A 77 -9.195 -7.418 7.686 1.00 75.13 H new ATOM 1172 N ILE A 78 -5.674 -4.971 5.691 1.00 71.33 N ATOM 1173 CA ILE A 78 -4.636 -4.471 4.798 1.00 10.20 C ATOM 1174 C ILE A 78 -3.900 -3.289 5.420 1.00 55.41 C ATOM 1175 O ILE A 78 -2.693 -3.133 5.241 1.00 1.21 O ATOM 1176 CB ILE A 78 -5.221 -4.039 3.440 1.00 32.21 C ATOM 1177 CG1 ILE A 78 -5.988 -5.198 2.800 1.00 75.10 C ATOM 1178 CG2 ILE A 78 -4.115 -3.554 2.517 1.00 53.15 C ATOM 1179 CD1 ILE A 78 -7.146 -4.752 1.934 1.00 11.21 C ATOM 0 H ILE A 78 -6.615 -4.952 5.297 1.00 71.33 H new ATOM 0 HA ILE A 78 -3.935 -5.290 4.638 1.00 10.20 H new ATOM 0 HB ILE A 78 -5.916 -3.215 3.605 1.00 32.21 H new ATOM 0 HG12 ILE A 78 -5.300 -5.789 2.196 1.00 75.10 H new ATOM 0 HG13 ILE A 78 -6.364 -5.852 3.586 1.00 75.10 H new ATOM 0 HG21 ILE A 78 -4.544 -3.252 1.562 1.00 53.15 H new ATOM 0 HG22 ILE A 78 -3.608 -2.703 2.972 1.00 53.15 H new ATOM 0 HG23 ILE A 78 -3.398 -4.359 2.355 1.00 53.15 H new ATOM 0 HD11 ILE A 78 -7.643 -5.626 1.513 1.00 11.21 H new ATOM 0 HD12 ILE A 78 -7.855 -4.186 2.538 1.00 11.21 H new ATOM 0 HD13 ILE A 78 -6.774 -4.122 1.126 1.00 11.21 H new ATOM 1191 N ASN A 79 -4.636 -2.459 6.152 1.00 32.23 N ATOM 1192 CA ASN A 79 -4.052 -1.291 6.803 1.00 71.23 C ATOM 1193 C ASN A 79 -3.015 -1.709 7.840 1.00 13.45 C ATOM 1194 O ASN A 79 -1.919 -1.153 7.894 1.00 43.42 O ATOM 1195 CB ASN A 79 -5.146 -0.452 7.467 1.00 40.43 C ATOM 1196 CG ASN A 79 -4.851 -0.169 8.927 1.00 61.10 C ATOM 1197 OD1 ASN A 79 -3.923 0.571 9.252 1.00 2.24 O ATOM 1198 ND2 ASN A 79 -5.642 -0.759 9.815 1.00 14.21 N ATOM 0 H ASN A 79 -5.637 -2.573 6.309 1.00 32.23 H new ATOM 0 HA ASN A 79 -3.555 -0.690 6.041 1.00 71.23 H new ATOM 0 HB2 ASN A 79 -5.252 0.491 6.931 1.00 40.43 H new ATOM 0 HB3 ASN A 79 -6.100 -0.974 7.386 1.00 40.43 H new ATOM 0 HD21 ASN A 79 -5.492 -0.606 10.812 1.00 14.21 H new ATOM 0 HD22 ASN A 79 -6.400 -1.365 9.500 1.00 14.21 H new ATOM 1205 N GLU A 80 -3.370 -2.690 8.663 1.00 22.33 N ATOM 1206 CA GLU A 80 -2.470 -3.181 9.700 1.00 12.34 C ATOM 1207 C GLU A 80 -1.329 -3.990 9.090 1.00 4.04 C ATOM 1208 O GLU A 80 -0.241 -4.074 9.660 1.00 42.40 O ATOM 1209 CB GLU A 80 -3.237 -4.039 10.709 1.00 42.43 C ATOM 1210 CG GLU A 80 -3.206 -5.525 10.391 1.00 44.21 C ATOM 1211 CD GLU A 80 -2.002 -6.224 10.990 1.00 64.05 C ATOM 1212 OE1 GLU A 80 -1.580 -5.837 12.099 1.00 34.11 O ATOM 1213 OE2 GLU A 80 -1.480 -7.160 10.347 1.00 21.32 O ATOM 0 H GLU A 80 -4.274 -3.161 8.632 1.00 22.33 H new ATOM 0 HA GLU A 80 -2.047 -2.319 10.216 1.00 12.34 H new ATOM 0 HB2 GLU A 80 -2.817 -3.880 11.702 1.00 42.43 H new ATOM 0 HB3 GLU A 80 -4.274 -3.705 10.744 1.00 42.43 H new ATOM 0 HG2 GLU A 80 -4.117 -5.992 10.766 1.00 44.21 H new ATOM 0 HG3 GLU A 80 -3.200 -5.661 9.310 1.00 44.21 H new ATOM 1220 N GLU A 81 -1.586 -4.585 7.929 1.00 11.45 N ATOM 1221 CA GLU A 81 -0.582 -5.388 7.244 1.00 43.12 C ATOM 1222 C GLU A 81 0.551 -4.511 6.718 1.00 14.51 C ATOM 1223 O GLU A 81 1.725 -4.767 6.987 1.00 3.34 O ATOM 1224 CB GLU A 81 -1.218 -6.165 6.089 1.00 14.50 C ATOM 1225 CG GLU A 81 -0.239 -7.052 5.339 1.00 33.14 C ATOM 1226 CD GLU A 81 0.575 -7.934 6.265 1.00 23.53 C ATOM 1227 OE1 GLU A 81 -0.027 -8.781 6.959 1.00 52.23 O ATOM 1228 OE2 GLU A 81 1.814 -7.778 6.297 1.00 4.24 O ATOM 0 H GLU A 81 -2.481 -4.525 7.444 1.00 11.45 H new ATOM 0 HA GLU A 81 -0.168 -6.095 7.963 1.00 43.12 H new ATOM 0 HB2 GLU A 81 -2.028 -6.781 6.480 1.00 14.50 H new ATOM 0 HB3 GLU A 81 -1.664 -5.458 5.389 1.00 14.50 H new ATOM 0 HG2 GLU A 81 -0.787 -7.678 4.635 1.00 33.14 H new ATOM 0 HG3 GLU A 81 0.435 -6.428 4.752 1.00 33.14 H new ATOM 1235 N LEU A 82 0.190 -3.476 5.967 1.00 45.11 N ATOM 1236 CA LEU A 82 1.175 -2.560 5.403 1.00 4.12 C ATOM 1237 C LEU A 82 1.647 -1.556 6.449 1.00 55.21 C ATOM 1238 O LEU A 82 2.780 -1.079 6.401 1.00 62.24 O ATOM 1239 CB LEU A 82 0.584 -1.821 4.200 1.00 32.54 C ATOM 1240 CG LEU A 82 -0.035 -2.699 3.112 1.00 64.35 C ATOM 1241 CD1 LEU A 82 -1.319 -2.075 2.589 1.00 41.34 C ATOM 1242 CD2 LEU A 82 0.955 -2.919 1.977 1.00 10.12 C ATOM 0 H LEU A 82 -0.777 -3.250 5.735 1.00 45.11 H new ATOM 0 HA LEU A 82 2.034 -3.146 5.076 1.00 4.12 H new ATOM 0 HB2 LEU A 82 -0.180 -1.132 4.561 1.00 32.54 H new ATOM 0 HB3 LEU A 82 1.370 -1.217 3.748 1.00 32.54 H new ATOM 0 HG LEU A 82 -0.278 -3.668 3.548 1.00 64.35 H new ATOM 0 HD11 LEU A 82 -1.745 -2.714 1.815 1.00 41.34 H new ATOM 0 HD12 LEU A 82 -2.032 -1.970 3.407 1.00 41.34 H new ATOM 0 HD13 LEU A 82 -1.102 -1.093 2.169 1.00 41.34 H new ATOM 0 HD21 LEU A 82 0.498 -3.546 1.212 1.00 10.12 H new ATOM 0 HD22 LEU A 82 1.230 -1.958 1.542 1.00 10.12 H new ATOM 0 HD23 LEU A 82 1.848 -3.411 2.363 1.00 10.12 H new ATOM 1254 N GLY A 83 0.769 -1.240 7.397 1.00 41.55 N ATOM 1255 CA GLY A 83 1.116 -0.295 8.444 1.00 74.05 C ATOM 1256 C GLY A 83 0.819 1.139 8.051 1.00 20.44 C ATOM 1257 O GLY A 83 1.514 2.062 8.476 1.00 73.35 O ATOM 0 H GLY A 83 -0.175 -1.621 7.459 1.00 41.55 H new ATOM 0 HA2 GLY A 83 0.563 -0.542 9.350 1.00 74.05 H new ATOM 0 HA3 GLY A 83 2.176 -0.392 8.680 1.00 74.05 H new ATOM 1261 N ILE A 84 -0.215 1.327 7.239 1.00 74.42 N ATOM 1262 CA ILE A 84 -0.602 2.658 6.790 1.00 74.52 C ATOM 1263 C ILE A 84 -1.862 3.135 7.503 1.00 24.25 C ATOM 1264 O ILE A 84 -2.371 2.465 8.402 1.00 71.11 O ATOM 1265 CB ILE A 84 -0.844 2.691 5.269 1.00 73.43 C ATOM 1266 CG1 ILE A 84 -1.992 1.751 4.893 1.00 32.00 C ATOM 1267 CG2 ILE A 84 0.425 2.310 4.521 1.00 12.54 C ATOM 1268 CD1 ILE A 84 -2.298 1.733 3.411 1.00 3.51 C ATOM 0 H ILE A 84 -0.800 0.574 6.878 1.00 74.42 H new ATOM 0 HA ILE A 84 0.225 3.325 7.034 1.00 74.52 H new ATOM 0 HB ILE A 84 -1.120 3.706 4.983 1.00 73.43 H new ATOM 0 HG12 ILE A 84 -1.744 0.740 5.217 1.00 32.00 H new ATOM 0 HG13 ILE A 84 -2.888 2.049 5.437 1.00 32.00 H new ATOM 0 HG21 ILE A 84 0.237 2.338 3.448 1.00 12.54 H new ATOM 0 HG22 ILE A 84 1.219 3.014 4.769 1.00 12.54 H new ATOM 0 HG23 ILE A 84 0.729 1.304 4.810 1.00 12.54 H new ATOM 0 HD11 ILE A 84 -3.122 1.046 3.218 1.00 3.51 H new ATOM 0 HD12 ILE A 84 -2.577 2.735 3.085 1.00 3.51 H new ATOM 0 HD13 ILE A 84 -1.416 1.405 2.861 1.00 3.51 H new ATOM 1280 N GLY A 85 -2.361 4.299 7.098 1.00 74.32 N ATOM 1281 CA GLY A 85 -3.559 4.845 7.709 1.00 52.13 C ATOM 1282 C GLY A 85 -4.710 4.959 6.729 1.00 60.53 C ATOM 1283 O GLY A 85 -5.146 6.061 6.399 1.00 64.13 O ATOM 0 H GLY A 85 -1.957 4.873 6.358 1.00 74.32 H new ATOM 0 HA2 GLY A 85 -3.858 4.211 8.544 1.00 52.13 H new ATOM 0 HA3 GLY A 85 -3.337 5.830 8.120 1.00 52.13 H new ATOM 1287 N GLN A 86 -5.202 3.815 6.262 1.00 43.14 N ATOM 1288 CA GLN A 86 -6.308 3.792 5.312 1.00 40.23 C ATOM 1289 C GLN A 86 -7.521 4.528 5.869 1.00 11.35 C ATOM 1290 O GLN A 86 -7.493 5.028 6.995 1.00 50.13 O ATOM 1291 CB GLN A 86 -6.684 2.349 4.971 1.00 61.43 C ATOM 1292 CG GLN A 86 -6.271 1.927 3.570 1.00 34.20 C ATOM 1293 CD GLN A 86 -6.249 0.421 3.396 1.00 13.31 C ATOM 1294 OE1 GLN A 86 -7.187 -0.275 3.785 1.00 14.43 O ATOM 1295 NE2 GLN A 86 -5.173 -0.092 2.809 1.00 1.54 N ATOM 0 H GLN A 86 -4.853 2.894 6.526 1.00 43.14 H new ATOM 0 HA GLN A 86 -5.984 4.301 4.404 1.00 40.23 H new ATOM 0 HB2 GLN A 86 -6.218 1.680 5.695 1.00 61.43 H new ATOM 0 HB3 GLN A 86 -7.762 2.229 5.074 1.00 61.43 H new ATOM 0 HG2 GLN A 86 -6.960 2.362 2.846 1.00 34.20 H new ATOM 0 HG3 GLN A 86 -5.282 2.329 3.351 1.00 34.20 H new ATOM 0 HE21 GLN A 86 -4.418 0.522 2.502 1.00 1.54 H new ATOM 0 HE22 GLN A 86 -5.102 -1.099 2.666 1.00 1.54 H new