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 31 CYS SG : rot 145:sc= 0.318 USER MOD Set 1.2: A 34 CYS SG : rot -58:sc= 0.776 USER MOD Set 1.3: A 56 CYS SG : rot 117:sc= 0.0359 USER MOD Set 1.4: A 57 MET CE :methyl 153:sc= -1.67 (180deg=-2.02!) USER MOD Set 1.5: A 67 CYS SG : rot -58:sc= 0.26 USER MOD Single : A 26 SER OG : rot -31:sc= 0.129 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 99:sc= 0.00278 USER MOD Single : A 58 ASN : amide:sc= -2.43 K(o=-2.4,f=-0.85) USER MOD Single : A 59 ASN : amide:sc= 0.405 K(o=0.41,f=-5.1!) USER MOD Single : A 60 SER OG : rot -170: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= -3.17 K(o=-3.2,f=-4.2!) USER MOD Single : A 73 MET CE :methyl 177:sc= -2.44 (180deg=-2.51) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.037) USER MOD Single : A 79 ASN : amide:sc= -0.707 K(o=-0.71,f=0.23) USER MOD Single : A 86 GLN : amide:sc= -2.52! K(o=-2.5!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.477 -12.324 -1.110 1.00 30.04 N ATOM 367 CA SER A 26 3.177 -11.783 -1.490 1.00 14.54 C ATOM 368 C SER A 26 3.175 -10.260 -1.401 1.00 60.22 C ATOM 369 O SER A 26 3.570 -9.686 -0.387 1.00 63.14 O ATOM 370 CB SER A 26 2.079 -12.359 -0.595 1.00 62.23 C ATOM 371 OG SER A 26 2.383 -12.163 0.775 1.00 40.22 O ATOM 0 HA SER A 26 2.980 -12.069 -2.523 1.00 14.54 H new ATOM 0 HB2 SER A 26 1.127 -11.884 -0.831 1.00 62.23 H new ATOM 0 HB3 SER A 26 1.963 -13.424 -0.796 1.00 62.23 H new ATOM 0 HG SER A 26 3.355 -12.171 0.899 1.00 40.22 H new ATOM 377 N ALA A 27 2.727 -9.611 -2.471 1.00 11.32 N ATOM 378 CA ALA A 27 2.671 -8.155 -2.513 1.00 15.21 C ATOM 379 C ALA A 27 1.236 -7.665 -2.669 1.00 64.05 C ATOM 380 O ALA A 27 0.338 -8.440 -3.000 1.00 23.10 O ATOM 381 CB ALA A 27 3.536 -7.626 -3.649 1.00 44.44 C ATOM 0 H ALA A 27 2.398 -10.071 -3.320 1.00 11.32 H new ATOM 0 HA ALA A 27 3.057 -7.774 -1.568 1.00 15.21 H new ATOM 0 HB1 ALA A 27 3.485 -6.537 -3.669 1.00 44.44 H new ATOM 0 HB2 ALA A 27 4.569 -7.938 -3.495 1.00 44.44 H new ATOM 0 HB3 ALA A 27 3.174 -8.023 -4.597 1.00 44.44 H new ATOM 387 N TRP A 28 1.027 -6.376 -2.426 1.00 64.43 N ATOM 388 CA TRP A 28 -0.302 -5.784 -2.538 1.00 72.14 C ATOM 389 C TRP A 28 -0.448 -5.018 -3.849 1.00 3.41 C ATOM 390 O TRP A 28 0.463 -4.304 -4.266 1.00 43.30 O ATOM 391 CB TRP A 28 -0.568 -4.851 -1.355 1.00 14.21 C ATOM 392 CG TRP A 28 -1.023 -5.570 -0.122 1.00 63.44 C ATOM 393 CD1 TRP A 28 -0.312 -5.753 1.030 1.00 23.53 C ATOM 394 CD2 TRP A 28 -2.291 -6.204 0.081 1.00 62.31 C ATOM 395 NE1 TRP A 28 -1.063 -6.462 1.937 1.00 2.22 N ATOM 396 CE2 TRP A 28 -2.280 -6.750 1.380 1.00 50.42 C ATOM 397 CE3 TRP A 28 -3.435 -6.361 -0.706 1.00 1.14 C ATOM 398 CZ2 TRP A 28 -3.368 -7.441 1.905 1.00 44.34 C ATOM 399 CZ3 TRP A 28 -4.513 -7.049 -0.183 1.00 33.52 C ATOM 400 CH2 TRP A 28 -4.475 -7.581 1.112 1.00 11.10 C ATOM 0 H TRP A 28 1.759 -5.721 -2.151 1.00 64.43 H new ATOM 0 HA TRP A 28 -1.035 -6.591 -2.527 1.00 72.14 H new ATOM 0 HB2 TRP A 28 0.342 -4.295 -1.128 1.00 14.21 H new ATOM 0 HB3 TRP A 28 -1.325 -4.120 -1.641 1.00 14.21 H new ATOM 0 HD1 TRP A 28 0.692 -5.394 1.203 1.00 23.53 H new ATOM 0 HE1 TRP A 28 -0.762 -6.730 2.874 1.00 2.22 H new ATOM 0 HE3 TRP A 28 -3.476 -5.952 -1.705 1.00 1.14 H new ATOM 0 HZ2 TRP A 28 -3.340 -7.852 2.903 1.00 44.34 H new ATOM 0 HZ3 TRP A 28 -5.401 -7.179 -0.784 1.00 33.52 H new ATOM 0 HH2 TRP A 28 -5.335 -8.112 1.492 1.00 11.10 H new ATOM 411 N VAL A 29 -1.600 -5.172 -4.493 1.00 35.02 N ATOM 412 CA VAL A 29 -1.865 -4.493 -5.756 1.00 42.44 C ATOM 413 C VAL A 29 -3.269 -3.900 -5.777 1.00 64.40 C ATOM 414 O VAL A 29 -4.226 -4.525 -5.317 1.00 14.53 O ATOM 415 CB VAL A 29 -1.707 -5.451 -6.952 1.00 54.00 C ATOM 416 CG1 VAL A 29 -0.237 -5.755 -7.202 1.00 64.54 C ATOM 417 CG2 VAL A 29 -2.493 -6.732 -6.715 1.00 11.11 C ATOM 0 H VAL A 29 -2.364 -5.760 -4.162 1.00 35.02 H new ATOM 0 HA VAL A 29 -1.133 -3.690 -5.843 1.00 42.44 H new ATOM 0 HB VAL A 29 -2.109 -4.965 -7.841 1.00 54.00 H new ATOM 0 HG11 VAL A 29 -0.145 -6.433 -8.050 1.00 64.54 H new ATOM 0 HG12 VAL A 29 0.294 -4.828 -7.419 1.00 64.54 H new ATOM 0 HG13 VAL A 29 0.194 -6.222 -6.316 1.00 64.54 H new ATOM 0 HG21 VAL A 29 -2.370 -7.397 -7.570 1.00 11.11 H new ATOM 0 HG22 VAL A 29 -2.123 -7.224 -5.816 1.00 11.11 H new ATOM 0 HG23 VAL A 29 -3.549 -6.493 -6.590 1.00 11.11 H new ATOM 427 N ARG A 30 -3.386 -2.690 -6.314 1.00 62.42 N ATOM 428 CA ARG A 30 -4.674 -2.011 -6.395 1.00 43.02 C ATOM 429 C ARG A 30 -5.192 -1.996 -7.830 1.00 65.44 C ATOM 430 O ARG A 30 -4.424 -1.824 -8.777 1.00 61.54 O ATOM 431 CB ARG A 30 -4.554 -0.580 -5.869 1.00 35.12 C ATOM 432 CG ARG A 30 -5.885 0.146 -5.768 1.00 31.51 C ATOM 433 CD ARG A 30 -5.808 1.539 -6.373 1.00 4.13 C ATOM 434 NE ARG A 30 -5.599 1.498 -7.818 1.00 2.22 N ATOM 435 CZ ARG A 30 -5.114 2.517 -8.520 1.00 43.45 C ATOM 436 NH1 ARG A 30 -4.789 3.649 -7.913 1.00 25.04 N ATOM 437 NH2 ARG A 30 -4.953 2.403 -9.832 1.00 41.03 N ATOM 0 H ARG A 30 -2.605 -2.160 -6.699 1.00 62.42 H new ATOM 0 HA ARG A 30 -5.385 -2.559 -5.777 1.00 43.02 H new ATOM 0 HB2 ARG A 30 -4.086 -0.602 -4.885 1.00 35.12 H new ATOM 0 HB3 ARG A 30 -3.891 -0.016 -6.525 1.00 35.12 H new ATOM 0 HG2 ARG A 30 -6.655 -0.432 -6.279 1.00 31.51 H new ATOM 0 HG3 ARG A 30 -6.182 0.219 -4.722 1.00 31.51 H new ATOM 0 HD2 ARG A 30 -6.729 2.080 -6.155 1.00 4.13 H new ATOM 0 HD3 ARG A 30 -4.994 2.093 -5.905 1.00 4.13 H new ATOM 0 HE ARG A 30 -5.838 0.640 -8.316 1.00 2.22 H new ATOM 0 HH11 ARG A 30 -4.911 3.740 -6.904 1.00 25.04 H new ATOM 0 HH12 ARG A 30 -4.417 4.429 -8.454 1.00 25.04 H new ATOM 0 HH21 ARG A 30 -5.202 1.533 -10.303 1.00 41.03 H new ATOM 0 HH22 ARG A 30 -4.581 3.186 -10.370 1.00 41.03 H new ATOM 451 N CYS A 31 -6.500 -2.180 -7.983 1.00 23.05 N ATOM 452 CA CYS A 31 -7.121 -2.189 -9.301 1.00 62.52 C ATOM 453 C CYS A 31 -7.268 -0.770 -9.844 1.00 11.40 C ATOM 454 O CYS A 31 -7.625 0.153 -9.111 1.00 41.35 O ATOM 455 CB CYS A 31 -8.493 -2.865 -9.237 1.00 43.22 C ATOM 456 SG CYS A 31 -9.301 -3.063 -10.858 1.00 4.42 S ATOM 0 H CYS A 31 -7.149 -2.325 -7.210 1.00 23.05 H new ATOM 0 HA CYS A 31 -6.475 -2.752 -9.974 1.00 62.52 H new ATOM 0 HB2 CYS A 31 -8.381 -3.847 -8.776 1.00 43.22 H new ATOM 0 HB3 CYS A 31 -9.144 -2.280 -8.587 1.00 43.22 H new ATOM 0 HG CYS A 31 -9.977 -4.173 -10.873 1.00 4.42 H new ATOM 461 N ASP A 32 -6.988 -0.603 -11.131 1.00 72.33 N ATOM 462 CA ASP A 32 -7.089 0.702 -11.774 1.00 22.24 C ATOM 463 C ASP A 32 -8.435 0.859 -12.476 1.00 14.25 C ATOM 464 O ASP A 32 -8.539 1.553 -13.488 1.00 72.40 O ATOM 465 CB ASP A 32 -5.950 0.890 -12.777 1.00 65.11 C ATOM 466 CG ASP A 32 -5.776 2.339 -13.189 1.00 11.11 C ATOM 467 OD1 ASP A 32 -6.237 3.227 -12.443 1.00 45.50 O ATOM 468 OD2 ASP A 32 -5.178 2.584 -14.259 1.00 43.01 O ATOM 0 H ASP A 32 -6.689 -1.356 -11.751 1.00 72.33 H new ATOM 0 HA ASP A 32 -7.011 1.467 -11.002 1.00 22.24 H new ATOM 0 HB2 ASP A 32 -5.021 0.525 -12.340 1.00 65.11 H new ATOM 0 HB3 ASP A 32 -6.145 0.284 -13.662 1.00 65.11 H new ATOM 473 N ASP A 33 -9.459 0.210 -11.934 1.00 34.21 N ATOM 474 CA ASP A 33 -10.797 0.278 -12.510 1.00 43.21 C ATOM 475 C ASP A 33 -11.850 0.436 -11.417 1.00 35.44 C ATOM 476 O ASP A 33 -12.790 1.221 -11.555 1.00 41.14 O ATOM 477 CB ASP A 33 -11.085 -0.977 -13.334 1.00 75.02 C ATOM 478 CG ASP A 33 -12.395 -0.884 -14.091 1.00 52.31 C ATOM 479 OD1 ASP A 33 -13.461 -0.942 -13.442 1.00 15.51 O ATOM 480 OD2 ASP A 33 -12.356 -0.755 -15.333 1.00 14.23 O ATOM 0 H ASP A 33 -9.389 -0.369 -11.097 1.00 34.21 H new ATOM 0 HA ASP A 33 -10.842 1.150 -13.163 1.00 43.21 H new ATOM 0 HB2 ASP A 33 -10.271 -1.139 -14.041 1.00 75.02 H new ATOM 0 HB3 ASP A 33 -11.111 -1.844 -12.674 1.00 75.02 H new ATOM 485 N CYS A 34 -11.688 -0.314 -10.332 1.00 20.33 N ATOM 486 CA CYS A 34 -12.625 -0.258 -9.216 1.00 33.10 C ATOM 487 C CYS A 34 -11.932 0.230 -7.948 1.00 2.21 C ATOM 488 O CYS A 34 -12.586 0.568 -6.960 1.00 54.40 O ATOM 489 CB CYS A 34 -13.244 -1.636 -8.974 1.00 54.00 C ATOM 490 SG CYS A 34 -12.047 -2.909 -8.460 1.00 0.12 S ATOM 0 H CYS A 34 -10.916 -0.968 -10.202 1.00 20.33 H new ATOM 0 HA CYS A 34 -13.415 0.448 -9.472 1.00 33.10 H new ATOM 0 HB2 CYS A 34 -14.015 -1.547 -8.208 1.00 54.00 H new ATOM 0 HB3 CYS A 34 -13.739 -1.966 -9.887 1.00 54.00 H new ATOM 0 HG CYS A 34 -11.117 -3.019 -9.362 1.00 0.12 H new ATOM 495 N PHE A 35 -10.604 0.264 -7.982 1.00 14.43 N ATOM 496 CA PHE A 35 -9.820 0.710 -6.835 1.00 35.34 C ATOM 497 C PHE A 35 -10.051 -0.200 -5.632 1.00 33.34 C ATOM 498 O PHE A 35 -10.745 0.170 -4.684 1.00 55.24 O ATOM 499 CB PHE A 35 -10.181 2.153 -6.475 1.00 43.13 C ATOM 500 CG PHE A 35 -10.090 3.101 -7.635 1.00 34.34 C ATOM 501 CD1 PHE A 35 -8.873 3.347 -8.253 1.00 22.44 C ATOM 502 CD2 PHE A 35 -11.220 3.747 -8.111 1.00 64.44 C ATOM 503 CE1 PHE A 35 -8.787 4.221 -9.320 1.00 73.21 C ATOM 504 CE2 PHE A 35 -11.139 4.620 -9.178 1.00 32.40 C ATOM 505 CZ PHE A 35 -9.921 4.857 -9.784 1.00 34.00 C ATOM 0 H PHE A 35 -10.048 -0.012 -8.791 1.00 14.43 H new ATOM 0 HA PHE A 35 -8.765 0.663 -7.106 1.00 35.34 H new ATOM 0 HB2 PHE A 35 -11.195 2.176 -6.076 1.00 43.13 H new ATOM 0 HB3 PHE A 35 -9.518 2.498 -5.682 1.00 43.13 H new ATOM 0 HD1 PHE A 35 -7.983 2.850 -7.896 1.00 22.44 H new ATOM 0 HD2 PHE A 35 -12.176 3.565 -7.642 1.00 64.44 H new ATOM 0 HE1 PHE A 35 -7.833 4.406 -9.791 1.00 73.21 H new ATOM 0 HE2 PHE A 35 -12.028 5.117 -9.538 1.00 32.40 H new ATOM 0 HZ PHE A 35 -9.856 5.539 -10.619 1.00 34.00 H new ATOM 515 N LYS A 36 -9.466 -1.392 -5.679 1.00 23.35 N ATOM 516 CA LYS A 36 -9.605 -2.355 -4.593 1.00 73.23 C ATOM 517 C LYS A 36 -8.289 -3.081 -4.337 1.00 12.13 C ATOM 518 O LYS A 36 -7.550 -3.396 -5.271 1.00 73.50 O ATOM 519 CB LYS A 36 -10.703 -3.370 -4.923 1.00 72.30 C ATOM 520 CG LYS A 36 -11.566 -3.741 -3.730 1.00 73.12 C ATOM 521 CD LYS A 36 -12.681 -2.731 -3.513 1.00 63.02 C ATOM 522 CE LYS A 36 -13.625 -3.173 -2.405 1.00 33.04 C ATOM 523 NZ LYS A 36 -15.014 -2.685 -2.632 1.00 21.11 N ATOM 0 H LYS A 36 -8.891 -1.714 -6.457 1.00 23.35 H new ATOM 0 HA LYS A 36 -9.880 -1.810 -3.690 1.00 73.23 H new ATOM 0 HB2 LYS A 36 -11.339 -2.962 -5.708 1.00 72.30 H new ATOM 0 HB3 LYS A 36 -10.243 -4.273 -5.323 1.00 72.30 H new ATOM 0 HG2 LYS A 36 -11.995 -4.731 -3.884 1.00 73.12 H new ATOM 0 HG3 LYS A 36 -10.946 -3.798 -2.835 1.00 73.12 H new ATOM 0 HD2 LYS A 36 -12.251 -1.761 -3.261 1.00 63.02 H new ATOM 0 HD3 LYS A 36 -13.241 -2.601 -4.439 1.00 63.02 H new ATOM 0 HE2 LYS A 36 -13.628 -4.261 -2.343 1.00 33.04 H new ATOM 0 HE3 LYS A 36 -13.261 -2.800 -1.448 1.00 33.04 H new ATOM 0 HZ1 LYS A 36 -15.626 -3.007 -1.856 1.00 21.11 H new ATOM 0 HZ2 LYS A 36 -15.016 -1.646 -2.666 1.00 21.11 H new ATOM 0 HZ3 LYS A 36 -15.371 -3.061 -3.533 1.00 21.11 H new ATOM 537 N TRP A 37 -8.001 -3.345 -3.067 1.00 14.32 N ATOM 538 CA TRP A 37 -6.773 -4.035 -2.690 1.00 4.22 C ATOM 539 C TRP A 37 -6.836 -5.509 -3.077 1.00 2.44 C ATOM 540 O TRP A 37 -7.869 -6.157 -2.919 1.00 64.14 O ATOM 541 CB TRP A 37 -6.529 -3.900 -1.186 1.00 65.40 C ATOM 542 CG TRP A 37 -5.747 -2.675 -0.818 1.00 54.23 C ATOM 543 CD1 TRP A 37 -6.078 -1.742 0.123 1.00 51.44 C ATOM 544 CD2 TRP A 37 -4.504 -2.251 -1.386 1.00 55.41 C ATOM 545 NE1 TRP A 37 -5.115 -0.763 0.173 1.00 44.54 N ATOM 546 CE2 TRP A 37 -4.138 -1.053 -0.742 1.00 11.41 C ATOM 547 CE3 TRP A 37 -3.662 -2.767 -2.377 1.00 23.32 C ATOM 548 CZ2 TRP A 37 -2.969 -0.365 -1.057 1.00 34.21 C ATOM 549 CZ3 TRP A 37 -2.503 -2.083 -2.687 1.00 15.11 C ATOM 550 CH2 TRP A 37 -2.164 -0.892 -2.030 1.00 45.25 C ATOM 0 H TRP A 37 -8.601 -3.092 -2.282 1.00 14.32 H new ATOM 0 HA TRP A 37 -5.946 -3.572 -3.228 1.00 4.22 H new ATOM 0 HB2 TRP A 37 -7.489 -3.878 -0.670 1.00 65.40 H new ATOM 0 HB3 TRP A 37 -5.997 -4.782 -0.831 1.00 65.40 H new ATOM 0 HD1 TRP A 37 -6.966 -1.770 0.737 1.00 51.44 H new ATOM 0 HE1 TRP A 37 -5.126 0.048 0.791 1.00 44.54 H new ATOM 0 HE3 TRP A 37 -3.914 -3.683 -2.890 1.00 23.32 H new ATOM 0 HZ2 TRP A 37 -2.707 0.552 -0.551 1.00 34.21 H new ATOM 0 HZ3 TRP A 37 -1.845 -2.473 -3.450 1.00 15.11 H new ATOM 0 HH2 TRP A 37 -1.251 -0.381 -2.297 1.00 45.25 H new ATOM 561 N ARG A 38 -5.723 -6.031 -3.585 1.00 24.34 N ATOM 562 CA ARG A 38 -5.654 -7.427 -3.994 1.00 40.13 C ATOM 563 C ARG A 38 -4.297 -8.030 -3.643 1.00 41.44 C ATOM 564 O ARG A 38 -3.254 -7.512 -4.042 1.00 21.21 O ATOM 565 CB ARG A 38 -5.905 -7.553 -5.499 1.00 3.30 C ATOM 566 CG ARG A 38 -6.917 -8.629 -5.859 1.00 31.24 C ATOM 567 CD ARG A 38 -8.343 -8.134 -5.679 1.00 24.34 C ATOM 568 NE ARG A 38 -9.301 -8.938 -6.433 1.00 14.01 N ATOM 569 CZ ARG A 38 -10.522 -8.521 -6.751 1.00 1.25 C ATOM 570 NH1 ARG A 38 -10.931 -7.315 -6.382 1.00 21.12 N ATOM 571 NH2 ARG A 38 -11.335 -9.311 -7.440 1.00 25.45 N ATOM 0 H ARG A 38 -4.858 -5.507 -3.722 1.00 24.34 H new ATOM 0 HA ARG A 38 -6.427 -7.975 -3.456 1.00 40.13 H new ATOM 0 HB2 ARG A 38 -6.255 -6.594 -5.882 1.00 3.30 H new ATOM 0 HB3 ARG A 38 -4.962 -7.771 -5.999 1.00 3.30 H new ATOM 0 HG2 ARG A 38 -6.766 -8.941 -6.893 1.00 31.24 H new ATOM 0 HG3 ARG A 38 -6.754 -9.507 -5.234 1.00 31.24 H new ATOM 0 HD2 ARG A 38 -8.604 -8.157 -4.621 1.00 24.34 H new ATOM 0 HD3 ARG A 38 -8.409 -7.095 -6.001 1.00 24.34 H new ATOM 0 HE ARG A 38 -9.017 -9.871 -6.732 1.00 14.01 H new ATOM 0 HH11 ARG A 38 -10.308 -6.705 -5.853 1.00 21.12 H new ATOM 0 HH12 ARG A 38 -11.869 -6.997 -6.627 1.00 21.12 H new ATOM 0 HH21 ARG A 38 -11.023 -10.239 -7.726 1.00 25.45 H new ATOM 0 HH22 ARG A 38 -12.272 -8.990 -7.684 1.00 25.45 H new ATOM 585 N ARG A 39 -4.319 -9.127 -2.892 1.00 42.10 N ATOM 586 CA ARG A 39 -3.090 -9.798 -2.485 1.00 72.45 C ATOM 587 C ARG A 39 -2.640 -10.798 -3.546 1.00 41.11 C ATOM 588 O ARG A 39 -3.392 -11.698 -3.924 1.00 4.13 O ATOM 589 CB ARG A 39 -3.295 -10.515 -1.149 1.00 41.11 C ATOM 590 CG ARG A 39 -2.016 -10.679 -0.344 1.00 2.05 C ATOM 591 CD ARG A 39 -2.002 -11.993 0.419 1.00 43.32 C ATOM 592 NE ARG A 39 -0.950 -12.028 1.432 1.00 32.32 N ATOM 593 CZ ARG A 39 -0.471 -13.151 1.956 1.00 14.25 C ATOM 594 NH1 ARG A 39 -0.945 -14.325 1.563 1.00 22.24 N ATOM 595 NH2 ARG A 39 0.488 -13.100 2.873 1.00 73.13 N ATOM 0 H ARG A 39 -5.174 -9.569 -2.554 1.00 42.10 H new ATOM 0 HA ARG A 39 -2.313 -9.042 -2.370 1.00 72.45 H new ATOM 0 HB2 ARG A 39 -4.020 -9.958 -0.555 1.00 41.11 H new ATOM 0 HB3 ARG A 39 -3.725 -11.499 -1.336 1.00 41.11 H new ATOM 0 HG2 ARG A 39 -1.156 -10.636 -1.013 1.00 2.05 H new ATOM 0 HG3 ARG A 39 -1.917 -9.850 0.356 1.00 2.05 H new ATOM 0 HD2 ARG A 39 -2.970 -12.145 0.897 1.00 43.32 H new ATOM 0 HD3 ARG A 39 -1.859 -12.817 -0.281 1.00 43.32 H new ATOM 0 HE ARG A 39 -0.562 -11.142 1.755 1.00 32.32 H new ATOM 0 HH11 ARG A 39 -1.679 -14.368 0.856 1.00 22.24 H new ATOM 0 HH12 ARG A 39 -0.575 -15.185 1.967 1.00 22.24 H new ATOM 0 HH21 ARG A 39 0.857 -12.198 3.175 1.00 73.13 H new ATOM 0 HH22 ARG A 39 0.856 -13.962 3.275 1.00 73.13 H new ATOM 609 N ILE A 40 -1.411 -10.634 -4.023 1.00 23.32 N ATOM 610 CA ILE A 40 -0.861 -11.522 -5.040 1.00 0.03 C ATOM 611 C ILE A 40 0.501 -12.062 -4.619 1.00 41.11 C ATOM 612 O ILE A 40 1.234 -11.437 -3.852 1.00 52.55 O ATOM 613 CB ILE A 40 -0.721 -10.805 -6.396 1.00 40.31 C ATOM 614 CG1 ILE A 40 0.457 -9.830 -6.363 1.00 2.51 C ATOM 615 CG2 ILE A 40 -2.010 -10.077 -6.747 1.00 3.34 C ATOM 616 CD1 ILE A 40 0.587 -8.996 -7.618 1.00 12.11 C ATOM 0 H ILE A 40 -0.777 -9.894 -3.722 1.00 23.32 H new ATOM 0 HA ILE A 40 -1.560 -12.351 -5.148 1.00 0.03 H new ATOM 0 HB ILE A 40 -0.528 -11.552 -7.166 1.00 40.31 H new ATOM 0 HG12 ILE A 40 0.345 -9.166 -5.506 1.00 2.51 H new ATOM 0 HG13 ILE A 40 1.379 -10.392 -6.213 1.00 2.51 H new ATOM 0 HG21 ILE A 40 -1.895 -9.576 -7.708 1.00 3.34 H new ATOM 0 HG22 ILE A 40 -2.828 -10.795 -6.808 1.00 3.34 H new ATOM 0 HG23 ILE A 40 -2.232 -9.338 -5.977 1.00 3.34 H new ATOM 0 HD11 ILE A 40 1.443 -8.328 -7.524 1.00 12.11 H new ATOM 0 HD12 ILE A 40 0.731 -9.651 -8.477 1.00 12.11 H new ATOM 0 HD13 ILE A 40 -0.319 -8.407 -7.759 1.00 12.11 H new ATOM 628 N PRO A 41 0.851 -13.250 -5.134 1.00 42.31 N ATOM 629 CA PRO A 41 2.129 -13.900 -4.828 1.00 1.33 C ATOM 630 C PRO A 41 3.315 -13.171 -5.451 1.00 22.30 C ATOM 631 O PRO A 41 3.164 -12.454 -6.440 1.00 2.13 O ATOM 632 CB PRO A 41 1.975 -15.293 -5.442 1.00 54.01 C ATOM 633 CG PRO A 41 0.972 -15.118 -6.530 1.00 10.42 C ATOM 634 CD PRO A 41 0.026 -14.051 -6.054 1.00 11.34 C ATOM 0 HA PRO A 41 2.334 -13.911 -3.757 1.00 1.33 H new ATOM 0 HB2 PRO A 41 2.924 -15.660 -5.833 1.00 54.01 H new ATOM 0 HB3 PRO A 41 1.634 -16.017 -4.702 1.00 54.01 H new ATOM 0 HG2 PRO A 41 1.455 -14.824 -7.462 1.00 10.42 H new ATOM 0 HG3 PRO A 41 0.442 -16.050 -6.726 1.00 10.42 H new ATOM 0 HD2 PRO A 41 -0.352 -13.450 -6.882 1.00 11.34 H new ATOM 0 HD3 PRO A 41 -0.840 -14.478 -5.549 1.00 11.34 H new ATOM 642 N ALA A 42 4.493 -13.360 -4.867 1.00 25.23 N ATOM 643 CA ALA A 42 5.705 -12.722 -5.368 1.00 64.31 C ATOM 644 C ALA A 42 6.088 -13.270 -6.738 1.00 62.31 C ATOM 645 O ALA A 42 6.934 -12.704 -7.429 1.00 32.45 O ATOM 646 CB ALA A 42 6.847 -12.914 -4.382 1.00 54.41 C ATOM 0 H ALA A 42 4.635 -13.949 -4.047 1.00 25.23 H new ATOM 0 HA ALA A 42 5.507 -11.655 -5.476 1.00 64.31 H new ATOM 0 HB1 ALA A 42 7.746 -12.433 -4.768 1.00 54.41 H new ATOM 0 HB2 ALA A 42 6.580 -12.468 -3.424 1.00 54.41 H new ATOM 0 HB3 ALA A 42 7.035 -13.979 -4.246 1.00 54.41 H new ATOM 652 N SER A 43 5.458 -14.374 -7.125 1.00 54.13 N ATOM 653 CA SER A 43 5.737 -15.002 -8.413 1.00 25.21 C ATOM 654 C SER A 43 5.070 -14.231 -9.547 1.00 73.15 C ATOM 655 O SER A 43 5.634 -14.089 -10.633 1.00 24.21 O ATOM 656 CB SER A 43 5.252 -16.452 -8.412 1.00 44.51 C ATOM 657 OG SER A 43 5.973 -17.231 -7.472 1.00 13.21 O ATOM 0 H SER A 43 4.751 -14.853 -6.566 1.00 54.13 H new ATOM 0 HA SER A 43 6.815 -14.988 -8.572 1.00 25.21 H new ATOM 0 HB2 SER A 43 4.189 -16.483 -8.175 1.00 44.51 H new ATOM 0 HB3 SER A 43 5.369 -16.878 -9.408 1.00 44.51 H new ATOM 0 HG SER A 43 5.643 -18.153 -7.490 1.00 13.21 H new ATOM 663 N VAL A 44 3.864 -13.735 -9.289 1.00 21.31 N ATOM 664 CA VAL A 44 3.118 -12.977 -10.287 1.00 13.51 C ATOM 665 C VAL A 44 3.391 -11.482 -10.160 1.00 45.53 C ATOM 666 O VAL A 44 3.330 -10.743 -11.142 1.00 42.22 O ATOM 667 CB VAL A 44 1.603 -13.224 -10.163 1.00 3.42 C ATOM 668 CG1 VAL A 44 1.056 -12.563 -8.907 1.00 34.40 C ATOM 669 CG2 VAL A 44 0.879 -12.718 -11.401 1.00 53.14 C ATOM 0 H VAL A 44 3.382 -13.845 -8.397 1.00 21.31 H new ATOM 0 HA VAL A 44 3.456 -13.323 -11.264 1.00 13.51 H new ATOM 0 HB VAL A 44 1.432 -14.297 -10.083 1.00 3.42 H new ATOM 0 HG11 VAL A 44 -0.016 -12.748 -8.836 1.00 34.40 H new ATOM 0 HG12 VAL A 44 1.555 -12.978 -8.031 1.00 34.40 H new ATOM 0 HG13 VAL A 44 1.237 -11.489 -8.953 1.00 34.40 H new ATOM 0 HG21 VAL A 44 -0.191 -12.900 -11.297 1.00 53.14 H new ATOM 0 HG22 VAL A 44 1.055 -11.648 -11.514 1.00 53.14 H new ATOM 0 HG23 VAL A 44 1.253 -13.242 -12.281 1.00 53.14 H new ATOM 679 N VAL A 45 3.694 -11.043 -8.942 1.00 53.35 N ATOM 680 CA VAL A 45 3.978 -9.638 -8.685 1.00 31.44 C ATOM 681 C VAL A 45 5.092 -9.126 -9.592 1.00 41.33 C ATOM 682 O VAL A 45 5.174 -7.934 -9.882 1.00 74.33 O ATOM 683 CB VAL A 45 4.380 -9.405 -7.216 1.00 34.41 C ATOM 684 CG1 VAL A 45 5.866 -9.665 -7.022 1.00 4.24 C ATOM 685 CG2 VAL A 45 4.016 -7.994 -6.781 1.00 34.15 C ATOM 0 H VAL A 45 3.749 -11.642 -8.118 1.00 53.35 H new ATOM 0 HA VAL A 45 3.061 -9.088 -8.895 1.00 31.44 H new ATOM 0 HB VAL A 45 3.828 -10.107 -6.591 1.00 34.41 H new ATOM 0 HG11 VAL A 45 6.132 -9.495 -5.979 1.00 4.24 H new ATOM 0 HG12 VAL A 45 6.093 -10.696 -7.291 1.00 4.24 H new ATOM 0 HG13 VAL A 45 6.439 -8.990 -7.657 1.00 4.24 H new ATOM 0 HG21 VAL A 45 4.307 -7.847 -5.741 1.00 34.15 H new ATOM 0 HG22 VAL A 45 4.539 -7.273 -7.409 1.00 34.15 H new ATOM 0 HG23 VAL A 45 2.940 -7.849 -6.881 1.00 34.15 H new ATOM 695 N GLY A 46 5.950 -10.040 -10.038 1.00 11.12 N ATOM 696 CA GLY A 46 7.048 -9.663 -10.909 1.00 22.30 C ATOM 697 C GLY A 46 6.760 -9.961 -12.367 1.00 1.02 C ATOM 698 O GLY A 46 7.681 -10.091 -13.174 1.00 63.44 O ATOM 0 H GLY A 46 5.904 -11.033 -9.812 1.00 11.12 H new ATOM 0 HA2 GLY A 46 7.251 -8.599 -10.792 1.00 22.30 H new ATOM 0 HA3 GLY A 46 7.949 -10.195 -10.604 1.00 22.30 H new ATOM 702 N SER A 47 5.480 -10.071 -12.706 1.00 22.32 N ATOM 703 CA SER A 47 5.073 -10.361 -14.075 1.00 51.44 C ATOM 704 C SER A 47 3.929 -9.449 -14.508 1.00 41.44 C ATOM 705 O SER A 47 3.898 -8.968 -15.640 1.00 53.34 O ATOM 706 CB SER A 47 4.650 -11.826 -14.205 1.00 0.22 C ATOM 707 OG SER A 47 5.550 -12.679 -13.518 1.00 62.34 O ATOM 0 H SER A 47 4.706 -9.963 -12.050 1.00 22.32 H new ATOM 0 HA SER A 47 5.927 -10.177 -14.727 1.00 51.44 H new ATOM 0 HB2 SER A 47 3.644 -11.955 -13.804 1.00 0.22 H new ATOM 0 HB3 SER A 47 4.612 -12.105 -15.258 1.00 0.22 H new ATOM 0 HG SER A 47 5.177 -12.911 -12.642 1.00 62.34 H new ATOM 713 N ILE A 48 2.991 -9.217 -13.596 1.00 72.40 N ATOM 714 CA ILE A 48 1.844 -8.363 -13.882 1.00 42.15 C ATOM 715 C ILE A 48 2.278 -6.919 -14.108 1.00 22.44 C ATOM 716 O ILE A 48 1.589 -6.150 -14.779 1.00 72.13 O ATOM 717 CB ILE A 48 0.813 -8.404 -12.739 1.00 73.14 C ATOM 718 CG1 ILE A 48 1.447 -7.927 -11.432 1.00 50.43 C ATOM 719 CG2 ILE A 48 0.254 -9.811 -12.581 1.00 50.21 C ATOM 720 CD1 ILE A 48 1.208 -6.462 -11.143 1.00 50.15 C ATOM 0 H ILE A 48 3.002 -9.608 -12.654 1.00 72.40 H new ATOM 0 HA ILE A 48 1.382 -8.748 -14.791 1.00 42.15 H new ATOM 0 HB ILE A 48 -0.009 -7.732 -12.987 1.00 73.14 H new ATOM 0 HG12 ILE A 48 1.051 -8.521 -10.608 1.00 50.43 H new ATOM 0 HG13 ILE A 48 2.521 -8.111 -11.470 1.00 50.43 H new ATOM 0 HG21 ILE A 48 -0.473 -9.824 -11.769 1.00 50.21 H new ATOM 0 HG22 ILE A 48 -0.231 -10.116 -13.508 1.00 50.21 H new ATOM 0 HG23 ILE A 48 1.066 -10.501 -12.352 1.00 50.21 H new ATOM 0 HD11 ILE A 48 1.686 -6.194 -10.201 1.00 50.15 H new ATOM 0 HD12 ILE A 48 1.629 -5.859 -11.948 1.00 50.15 H new ATOM 0 HD13 ILE A 48 0.136 -6.275 -11.072 1.00 50.15 H new ATOM 805 N TRP A 54 -2.519 -2.313 -12.850 1.00 63.44 N ATOM 806 CA TRP A 54 -2.996 -3.663 -12.571 1.00 11.14 C ATOM 807 C TRP A 54 -4.500 -3.670 -12.328 1.00 60.41 C ATOM 808 O TRP A 54 -5.053 -2.717 -11.778 1.00 72.30 O ATOM 809 CB TRP A 54 -2.267 -4.243 -11.357 1.00 72.13 C ATOM 810 CG TRP A 54 -2.805 -5.572 -10.921 1.00 54.43 C ATOM 811 CD1 TRP A 54 -2.275 -6.801 -11.197 1.00 71.31 C ATOM 812 CD2 TRP A 54 -3.977 -5.806 -10.134 1.00 72.52 C ATOM 813 NE1 TRP A 54 -3.049 -7.784 -10.629 1.00 14.33 N ATOM 814 CE2 TRP A 54 -4.099 -7.200 -9.971 1.00 3.30 C ATOM 815 CE3 TRP A 54 -4.937 -4.974 -9.550 1.00 54.41 C ATOM 816 CZ2 TRP A 54 -5.140 -7.777 -9.249 1.00 23.33 C ATOM 817 CZ3 TRP A 54 -5.969 -5.548 -8.835 1.00 45.11 C ATOM 818 CH2 TRP A 54 -6.064 -6.938 -8.687 1.00 11.10 C ATOM 0 HA TRP A 54 -2.786 -4.283 -13.442 1.00 11.14 H new ATOM 0 HB2 TRP A 54 -1.208 -4.348 -11.594 1.00 72.13 H new ATOM 0 HB3 TRP A 54 -2.340 -3.539 -10.528 1.00 72.13 H new ATOM 0 HD1 TRP A 54 -1.380 -6.974 -11.776 1.00 71.31 H new ATOM 0 HE1 TRP A 54 -2.871 -8.787 -10.688 1.00 14.33 H new ATOM 0 HE3 TRP A 54 -4.872 -3.901 -9.656 1.00 54.41 H new ATOM 0 HZ2 TRP A 54 -5.216 -8.848 -9.136 1.00 23.33 H new ATOM 0 HZ3 TRP A 54 -6.717 -4.914 -8.382 1.00 45.11 H new ATOM 0 HH2 TRP A 54 -6.882 -7.355 -8.119 1.00 11.10 H new ATOM 829 N ILE A 55 -5.157 -4.749 -12.740 1.00 65.33 N ATOM 830 CA ILE A 55 -6.598 -4.880 -12.565 1.00 25.43 C ATOM 831 C ILE A 55 -6.966 -6.263 -12.042 1.00 60.25 C ATOM 832 O ILE A 55 -6.138 -7.175 -12.030 1.00 55.31 O ATOM 833 CB ILE A 55 -7.351 -4.624 -13.884 1.00 73.12 C ATOM 834 CG1 ILE A 55 -6.648 -5.334 -15.042 1.00 14.14 C ATOM 835 CG2 ILE A 55 -7.455 -3.130 -14.155 1.00 44.25 C ATOM 836 CD1 ILE A 55 -7.270 -5.049 -16.392 1.00 65.23 C ATOM 0 H ILE A 55 -4.714 -5.546 -13.198 1.00 65.33 H new ATOM 0 HA ILE A 55 -6.896 -4.128 -11.834 1.00 25.43 H new ATOM 0 HB ILE A 55 -8.360 -5.027 -13.794 1.00 73.12 H new ATOM 0 HG12 ILE A 55 -5.601 -5.031 -15.062 1.00 14.14 H new ATOM 0 HG13 ILE A 55 -6.665 -6.409 -14.863 1.00 14.14 H new ATOM 0 HG21 ILE A 55 -7.990 -2.966 -15.091 1.00 44.25 H new ATOM 0 HG22 ILE A 55 -7.995 -2.649 -13.339 1.00 44.25 H new ATOM 0 HG23 ILE A 55 -6.455 -2.703 -14.229 1.00 44.25 H new ATOM 0 HD11 ILE A 55 -6.721 -5.585 -17.166 1.00 65.23 H new ATOM 0 HD12 ILE A 55 -8.309 -5.378 -16.391 1.00 65.23 H new ATOM 0 HD13 ILE A 55 -7.229 -3.978 -16.593 1.00 65.23 H new ATOM 848 N CYS A 56 -8.214 -6.416 -11.611 1.00 12.22 N ATOM 849 CA CYS A 56 -8.693 -7.689 -11.088 1.00 21.03 C ATOM 850 C CYS A 56 -8.551 -8.794 -12.132 1.00 21.11 C ATOM 851 O CYS A 56 -7.992 -9.855 -11.854 1.00 72.41 O ATOM 852 CB CYS A 56 -10.155 -7.568 -10.654 1.00 20.25 C ATOM 853 SG CYS A 56 -10.467 -6.227 -9.461 1.00 74.20 S ATOM 0 H CYS A 56 -8.912 -5.673 -11.614 1.00 12.22 H new ATOM 0 HA CYS A 56 -8.084 -7.950 -10.222 1.00 21.03 H new ATOM 0 HB2 CYS A 56 -10.773 -7.405 -11.537 1.00 20.25 H new ATOM 0 HB3 CYS A 56 -10.472 -8.513 -10.213 1.00 20.25 H new ATOM 0 HG CYS A 56 -11.265 -5.350 -9.993 1.00 74.20 H new ATOM 858 N MET A 57 -9.061 -8.536 -13.332 1.00 11.25 N ATOM 859 CA MET A 57 -8.989 -9.506 -14.417 1.00 44.24 C ATOM 860 C MET A 57 -7.539 -9.862 -14.733 1.00 32.31 C ATOM 861 O MET A 57 -7.262 -10.903 -15.328 1.00 14.53 O ATOM 862 CB MET A 57 -9.677 -8.957 -15.668 1.00 51.05 C ATOM 863 CG MET A 57 -9.154 -7.597 -16.101 1.00 65.04 C ATOM 864 SD MET A 57 -10.477 -6.424 -16.451 1.00 72.44 S ATOM 865 CE MET A 57 -10.957 -5.949 -14.792 1.00 73.10 C ATOM 0 H MET A 57 -9.528 -7.663 -13.577 1.00 11.25 H new ATOM 0 HA MET A 57 -9.505 -10.411 -14.096 1.00 44.24 H new ATOM 0 HB2 MET A 57 -9.545 -9.665 -16.486 1.00 51.05 H new ATOM 0 HB3 MET A 57 -10.748 -8.883 -15.481 1.00 51.05 H new ATOM 0 HG2 MET A 57 -8.513 -7.192 -15.318 1.00 65.04 H new ATOM 0 HG3 MET A 57 -8.535 -7.716 -16.990 1.00 65.04 H new ATOM 0 HE1 MET A 57 -11.381 -4.945 -14.809 1.00 73.10 H new ATOM 0 HE2 MET A 57 -11.701 -6.650 -14.414 1.00 73.10 H new ATOM 0 HE3 MET A 57 -10.082 -5.962 -14.142 1.00 73.10 H new ATOM 875 N ASN A 58 -6.620 -8.990 -14.333 1.00 42.15 N ATOM 876 CA ASN A 58 -5.199 -9.212 -14.575 1.00 53.03 C ATOM 877 C ASN A 58 -4.585 -10.064 -13.469 1.00 61.04 C ATOM 878 O ASN A 58 -3.442 -10.506 -13.574 1.00 1.31 O ATOM 879 CB ASN A 58 -4.462 -7.875 -14.674 1.00 21.40 C ATOM 880 CG ASN A 58 -4.338 -7.387 -16.103 1.00 12.02 C ATOM 881 OD1 ASN A 58 -3.276 -6.930 -16.526 1.00 2.31 O ATOM 882 ND2 ASN A 58 -5.428 -7.480 -16.857 1.00 44.41 N ATOM 0 H ASN A 58 -6.833 -8.123 -13.840 1.00 42.15 H new ATOM 0 HA ASN A 58 -5.096 -9.746 -15.519 1.00 53.03 H new ATOM 0 HB2 ASN A 58 -4.991 -7.127 -14.082 1.00 21.40 H new ATOM 0 HB3 ASN A 58 -3.467 -7.979 -14.241 1.00 21.40 H new ATOM 0 HD21 ASN A 58 -5.405 -7.166 -17.827 1.00 44.41 H new ATOM 0 HD22 ASN A 58 -6.287 -7.865 -16.466 1.00 44.41 H new ATOM 889 N ASN A 59 -5.354 -10.292 -12.409 1.00 50.03 N ATOM 890 CA ASN A 59 -4.886 -11.092 -11.283 1.00 5.33 C ATOM 891 C ASN A 59 -4.396 -12.459 -11.753 1.00 25.42 C ATOM 892 O ASN A 59 -4.732 -12.906 -12.848 1.00 72.44 O ATOM 893 CB ASN A 59 -6.005 -11.264 -10.253 1.00 53.20 C ATOM 894 CG ASN A 59 -5.486 -11.742 -8.911 1.00 72.42 C ATOM 895 OD1 ASN A 59 -4.283 -11.708 -8.649 1.00 34.32 O ATOM 896 ND2 ASN A 59 -6.394 -12.193 -8.053 1.00 51.24 N ATOM 0 H ASN A 59 -6.304 -9.934 -12.306 1.00 50.03 H new ATOM 0 HA ASN A 59 -4.051 -10.567 -10.818 1.00 5.33 H new ATOM 0 HB2 ASN A 59 -6.524 -10.314 -10.122 1.00 53.20 H new ATOM 0 HB3 ASN A 59 -6.737 -11.977 -10.631 1.00 53.20 H new ATOM 0 HD21 ASN A 59 -6.105 -12.529 -7.135 1.00 51.24 H new ATOM 0 HD22 ASN A 59 -7.380 -12.203 -8.313 1.00 51.24 H new ATOM 903 N SER A 60 -3.601 -13.116 -10.914 1.00 23.45 N ATOM 904 CA SER A 60 -3.063 -14.430 -11.244 1.00 61.11 C ATOM 905 C SER A 60 -4.089 -15.524 -10.961 1.00 14.30 C ATOM 906 O SER A 60 -4.073 -16.582 -11.590 1.00 44.51 O ATOM 907 CB SER A 60 -1.785 -14.696 -10.446 1.00 11.55 C ATOM 908 OG SER A 60 -0.860 -15.457 -11.204 1.00 13.31 O ATOM 0 H SER A 60 -3.316 -12.760 -10.002 1.00 23.45 H new ATOM 0 HA SER A 60 -2.828 -14.442 -12.308 1.00 61.11 H new ATOM 0 HB2 SER A 60 -1.330 -13.749 -10.156 1.00 11.55 H new ATOM 0 HB3 SER A 60 -2.031 -15.227 -9.526 1.00 11.55 H new ATOM 0 HG SER A 60 -0.124 -15.748 -10.626 1.00 13.31 H new ATOM 914 N ASP A 61 -4.979 -15.259 -10.012 1.00 50.15 N ATOM 915 CA ASP A 61 -6.014 -16.220 -9.645 1.00 43.03 C ATOM 916 C ASP A 61 -7.036 -16.373 -10.768 1.00 22.14 C ATOM 917 O ASP A 61 -6.856 -15.839 -11.862 1.00 32.33 O ATOM 918 CB ASP A 61 -6.713 -15.781 -8.358 1.00 64.22 C ATOM 919 CG ASP A 61 -7.086 -16.955 -7.473 1.00 64.03 C ATOM 920 OD1 ASP A 61 -6.195 -17.774 -7.168 1.00 52.31 O ATOM 921 OD2 ASP A 61 -8.270 -17.055 -7.087 1.00 20.02 O ATOM 0 H ASP A 61 -5.005 -14.388 -9.483 1.00 50.15 H new ATOM 0 HA ASP A 61 -5.537 -17.186 -9.479 1.00 43.03 H new ATOM 0 HB2 ASP A 61 -6.060 -15.106 -7.805 1.00 64.22 H new ATOM 0 HB3 ASP A 61 -7.612 -15.219 -8.610 1.00 64.22 H new ATOM 926 N LYS A 62 -8.107 -17.106 -10.489 1.00 61.51 N ATOM 927 CA LYS A 62 -9.160 -17.330 -11.473 1.00 51.20 C ATOM 928 C LYS A 62 -10.527 -16.980 -10.898 1.00 32.54 C ATOM 929 O LYS A 62 -11.383 -16.434 -11.595 1.00 72.32 O ATOM 930 CB LYS A 62 -9.149 -18.789 -11.938 1.00 13.22 C ATOM 931 CG LYS A 62 -9.007 -19.788 -10.804 1.00 63.41 C ATOM 932 CD LYS A 62 -7.676 -20.517 -10.865 1.00 31.33 C ATOM 933 CE LYS A 62 -7.404 -21.291 -9.584 1.00 23.32 C ATOM 934 NZ LYS A 62 -6.064 -21.941 -9.603 1.00 65.31 N ATOM 0 H LYS A 62 -8.270 -17.556 -9.588 1.00 61.51 H new ATOM 0 HA LYS A 62 -8.968 -16.680 -12.327 1.00 51.20 H new ATOM 0 HB2 LYS A 62 -10.072 -18.996 -12.480 1.00 13.22 H new ATOM 0 HB3 LYS A 62 -8.328 -18.931 -12.641 1.00 13.22 H new ATOM 0 HG2 LYS A 62 -9.096 -19.270 -9.849 1.00 63.41 H new ATOM 0 HG3 LYS A 62 -9.821 -20.511 -10.851 1.00 63.41 H new ATOM 0 HD2 LYS A 62 -7.674 -21.202 -11.713 1.00 31.33 H new ATOM 0 HD3 LYS A 62 -6.874 -19.798 -11.034 1.00 31.33 H new ATOM 0 HE2 LYS A 62 -7.468 -20.616 -8.731 1.00 23.32 H new ATOM 0 HE3 LYS A 62 -8.174 -22.050 -9.448 1.00 23.32 H new ATOM 0 HZ1 LYS A 62 -5.916 -22.458 -8.713 1.00 65.31 H new ATOM 0 HZ2 LYS A 62 -6.011 -22.605 -10.402 1.00 65.31 H new ATOM 0 HZ3 LYS A 62 -5.327 -21.214 -9.707 1.00 65.31 H new ATOM 948 N ARG A 63 -10.726 -17.294 -9.622 1.00 35.31 N ATOM 949 CA ARG A 63 -11.991 -17.011 -8.953 1.00 14.31 C ATOM 950 C ARG A 63 -12.013 -15.583 -8.414 1.00 42.41 C ATOM 951 O ARG A 63 -13.079 -15.019 -8.167 1.00 15.45 O ATOM 952 CB ARG A 63 -12.221 -18.003 -7.812 1.00 74.40 C ATOM 953 CG ARG A 63 -13.030 -19.223 -8.219 1.00 31.53 C ATOM 954 CD ARG A 63 -12.129 -20.398 -8.563 1.00 41.14 C ATOM 955 NE ARG A 63 -12.444 -21.581 -7.767 1.00 74.34 N ATOM 956 CZ ARG A 63 -13.556 -22.293 -7.917 1.00 30.52 C ATOM 957 NH1 ARG A 63 -14.453 -21.944 -8.828 1.00 31.33 N ATOM 958 NH2 ARG A 63 -13.772 -23.358 -7.153 1.00 35.24 N ATOM 0 H ARG A 63 -10.028 -17.744 -9.030 1.00 35.31 H new ATOM 0 HA ARG A 63 -12.793 -17.117 -9.684 1.00 14.31 H new ATOM 0 HB2 ARG A 63 -11.255 -18.330 -7.426 1.00 74.40 H new ATOM 0 HB3 ARG A 63 -12.734 -17.493 -6.997 1.00 74.40 H new ATOM 0 HG2 ARG A 63 -13.701 -19.503 -7.407 1.00 31.53 H new ATOM 0 HG3 ARG A 63 -13.654 -18.977 -9.078 1.00 31.53 H new ATOM 0 HD2 ARG A 63 -12.232 -20.636 -9.622 1.00 41.14 H new ATOM 0 HD3 ARG A 63 -11.089 -20.117 -8.399 1.00 41.14 H new ATOM 0 HE ARG A 63 -11.774 -21.877 -7.057 1.00 74.34 H new ATOM 0 HH11 ARG A 63 -14.291 -21.127 -9.417 1.00 31.33 H new ATOM 0 HH12 ARG A 63 -15.305 -22.493 -8.941 1.00 31.33 H new ATOM 0 HH21 ARG A 63 -13.084 -23.630 -6.451 1.00 35.24 H new ATOM 0 HH22 ARG A 63 -14.626 -23.904 -7.269 1.00 35.24 H new ATOM 972 N PHE A 64 -10.830 -15.007 -8.233 1.00 12.42 N ATOM 973 CA PHE A 64 -10.712 -13.646 -7.722 1.00 62.35 C ATOM 974 C PHE A 64 -10.036 -12.737 -8.743 1.00 11.40 C ATOM 975 O PHE A 64 -9.480 -11.696 -8.392 1.00 61.23 O ATOM 976 CB PHE A 64 -9.923 -13.637 -6.412 1.00 43.22 C ATOM 977 CG PHE A 64 -10.759 -13.953 -5.205 1.00 61.34 C ATOM 978 CD1 PHE A 64 -11.442 -15.156 -5.114 1.00 30.14 C ATOM 979 CD2 PHE A 64 -10.864 -13.048 -4.160 1.00 53.31 C ATOM 980 CE1 PHE A 64 -12.212 -15.450 -4.005 1.00 32.51 C ATOM 981 CE2 PHE A 64 -11.632 -13.338 -3.049 1.00 13.05 C ATOM 982 CZ PHE A 64 -12.308 -14.539 -2.972 1.00 72.33 C ATOM 0 H PHE A 64 -9.939 -15.461 -8.432 1.00 12.42 H new ATOM 0 HA PHE A 64 -11.717 -13.267 -7.535 1.00 62.35 H new ATOM 0 HB2 PHE A 64 -9.111 -14.361 -6.481 1.00 43.22 H new ATOM 0 HB3 PHE A 64 -9.465 -12.657 -6.280 1.00 43.22 H new ATOM 0 HD1 PHE A 64 -11.371 -15.872 -5.920 1.00 30.14 H new ATOM 0 HD2 PHE A 64 -10.339 -12.106 -4.215 1.00 53.31 H new ATOM 0 HE1 PHE A 64 -12.738 -16.391 -3.946 1.00 32.51 H new ATOM 0 HE2 PHE A 64 -11.704 -12.625 -2.241 1.00 13.05 H new ATOM 0 HZ PHE A 64 -12.911 -14.766 -2.105 1.00 72.33 H new ATOM 992 N ALA A 65 -10.085 -13.140 -10.009 1.00 23.35 N ATOM 993 CA ALA A 65 -9.479 -12.361 -11.082 1.00 41.22 C ATOM 994 C ALA A 65 -10.544 -11.700 -11.951 1.00 41.45 C ATOM 995 O ALA A 65 -10.729 -12.070 -13.110 1.00 22.21 O ATOM 996 CB ALA A 65 -8.577 -13.246 -11.930 1.00 61.05 C ATOM 0 H ALA A 65 -10.538 -14.001 -10.316 1.00 23.35 H new ATOM 0 HA ALA A 65 -8.877 -11.573 -10.630 1.00 41.22 H new ATOM 0 HB1 ALA A 65 -8.131 -12.652 -12.728 1.00 61.05 H new ATOM 0 HB2 ALA A 65 -7.789 -13.666 -11.306 1.00 61.05 H new ATOM 0 HB3 ALA A 65 -9.165 -14.054 -12.365 1.00 61.05 H new ATOM 1002 N ASP A 66 -11.240 -10.722 -11.383 1.00 43.44 N ATOM 1003 CA ASP A 66 -12.286 -10.009 -12.106 1.00 72.01 C ATOM 1004 C ASP A 66 -12.886 -8.903 -11.243 1.00 51.22 C ATOM 1005 O ASP A 66 -13.047 -9.063 -10.033 1.00 65.24 O ATOM 1006 CB ASP A 66 -13.383 -10.979 -12.548 1.00 62.03 C ATOM 1007 CG ASP A 66 -13.275 -11.345 -14.015 1.00 70.14 C ATOM 1008 OD1 ASP A 66 -13.030 -10.438 -14.837 1.00 4.44 O ATOM 1009 OD2 ASP A 66 -13.437 -12.540 -14.342 1.00 44.11 O ATOM 0 H ASP A 66 -11.099 -10.405 -10.424 1.00 43.44 H new ATOM 0 HA ASP A 66 -11.837 -9.554 -12.989 1.00 72.01 H new ATOM 0 HB2 ASP A 66 -13.327 -11.885 -11.945 1.00 62.03 H new ATOM 0 HB3 ASP A 66 -14.358 -10.530 -12.359 1.00 62.03 H new ATOM 1014 N CYS A 67 -13.215 -7.780 -11.874 1.00 2.21 N ATOM 1015 CA CYS A 67 -13.795 -6.647 -11.165 1.00 20.13 C ATOM 1016 C CYS A 67 -15.152 -7.013 -10.571 1.00 75.43 C ATOM 1017 O CYS A 67 -15.599 -6.409 -9.596 1.00 34.34 O ATOM 1018 CB CYS A 67 -13.943 -5.450 -12.107 1.00 72.35 C ATOM 1019 SG CYS A 67 -12.564 -4.264 -12.026 1.00 14.42 S ATOM 0 H CYS A 67 -13.089 -7.631 -12.875 1.00 2.21 H new ATOM 0 HA CYS A 67 -13.123 -6.378 -10.350 1.00 20.13 H new ATOM 0 HB2 CYS A 67 -14.034 -5.816 -13.130 1.00 72.35 H new ATOM 0 HB3 CYS A 67 -14.871 -4.929 -11.871 1.00 72.35 H new ATOM 0 HG CYS A 67 -12.445 -3.819 -10.810 1.00 14.42 H new ATOM 1024 N SER A 68 -15.804 -8.006 -11.168 1.00 73.23 N ATOM 1025 CA SER A 68 -17.113 -8.451 -10.703 1.00 3.13 C ATOM 1026 C SER A 68 -17.011 -9.078 -9.316 1.00 45.53 C ATOM 1027 O SER A 68 -17.929 -8.970 -8.503 1.00 24.33 O ATOM 1028 CB SER A 68 -17.712 -9.457 -11.686 1.00 75.51 C ATOM 1029 OG SER A 68 -18.635 -8.827 -12.560 1.00 31.01 O ATOM 0 H SER A 68 -15.447 -8.518 -11.975 1.00 73.23 H new ATOM 0 HA SER A 68 -17.766 -7.580 -10.643 1.00 3.13 H new ATOM 0 HB2 SER A 68 -16.915 -9.922 -12.267 1.00 75.51 H new ATOM 0 HB3 SER A 68 -18.212 -10.254 -11.136 1.00 75.51 H new ATOM 0 HG SER A 68 -19.003 -9.490 -13.180 1.00 31.01 H new ATOM 1035 N LYS A 69 -15.887 -9.736 -9.052 1.00 10.34 N ATOM 1036 CA LYS A 69 -15.661 -10.380 -7.764 1.00 45.21 C ATOM 1037 C LYS A 69 -15.631 -9.351 -6.638 1.00 4.00 C ATOM 1038 O LYS A 69 -15.966 -8.184 -6.841 1.00 52.45 O ATOM 1039 CB LYS A 69 -14.347 -11.165 -7.786 1.00 30.21 C ATOM 1040 CG LYS A 69 -14.226 -12.113 -8.967 1.00 1.15 C ATOM 1041 CD LYS A 69 -15.387 -13.091 -9.018 1.00 53.04 C ATOM 1042 CE LYS A 69 -16.487 -12.601 -9.948 1.00 64.42 C ATOM 1043 NZ LYS A 69 -16.890 -13.646 -10.929 1.00 61.41 N ATOM 0 H LYS A 69 -15.118 -9.837 -9.714 1.00 10.34 H new ATOM 0 HA LYS A 69 -16.486 -11.069 -7.581 1.00 45.21 H new ATOM 0 HB2 LYS A 69 -13.514 -10.463 -7.808 1.00 30.21 H new ATOM 0 HB3 LYS A 69 -14.259 -11.736 -6.862 1.00 30.21 H new ATOM 0 HG2 LYS A 69 -14.191 -11.539 -9.893 1.00 1.15 H new ATOM 0 HG3 LYS A 69 -13.288 -12.664 -8.898 1.00 1.15 H new ATOM 0 HD2 LYS A 69 -15.030 -14.064 -9.356 1.00 53.04 H new ATOM 0 HD3 LYS A 69 -15.792 -13.230 -8.015 1.00 53.04 H new ATOM 0 HE2 LYS A 69 -17.354 -12.302 -9.359 1.00 64.42 H new ATOM 0 HE3 LYS A 69 -16.143 -11.715 -10.482 1.00 64.42 H new ATOM 0 HZ1 LYS A 69 -17.641 -13.273 -11.544 1.00 61.41 H new ATOM 0 HZ2 LYS A 69 -16.069 -13.913 -11.508 1.00 61.41 H new ATOM 0 HZ3 LYS A 69 -17.242 -14.482 -10.421 1.00 61.41 H new ATOM 1057 N SER A 70 -15.227 -9.791 -5.450 1.00 54.52 N ATOM 1058 CA SER A 70 -15.154 -8.908 -4.291 1.00 75.42 C ATOM 1059 C SER A 70 -13.719 -8.786 -3.790 1.00 65.21 C ATOM 1060 O SER A 70 -12.793 -9.329 -4.391 1.00 4.35 O ATOM 1061 CB SER A 70 -16.056 -9.429 -3.171 1.00 72.31 C ATOM 1062 OG SER A 70 -17.424 -9.218 -3.477 1.00 50.45 O ATOM 0 H SER A 70 -14.945 -10.754 -5.265 1.00 54.52 H new ATOM 0 HA SER A 70 -15.498 -7.919 -4.595 1.00 75.42 H new ATOM 0 HB2 SER A 70 -15.874 -10.493 -3.019 1.00 72.31 H new ATOM 0 HB3 SER A 70 -15.808 -8.926 -2.236 1.00 72.31 H new ATOM 0 HG SER A 70 -17.979 -9.561 -2.746 1.00 50.45 H new ATOM 1068 N GLN A 71 -13.544 -8.069 -2.684 1.00 71.23 N ATOM 1069 CA GLN A 71 -12.222 -7.874 -2.101 1.00 72.13 C ATOM 1070 C GLN A 71 -11.738 -9.147 -1.414 1.00 11.34 C ATOM 1071 O GLN A 71 -12.526 -10.048 -1.130 1.00 55.52 O ATOM 1072 CB GLN A 71 -12.249 -6.719 -1.100 1.00 13.35 C ATOM 1073 CG GLN A 71 -10.869 -6.181 -0.757 1.00 23.55 C ATOM 1074 CD GLN A 71 -10.915 -4.775 -0.191 1.00 23.11 C ATOM 1075 OE1 GLN A 71 -11.976 -4.153 -0.129 1.00 20.01 O ATOM 1076 NE2 GLN A 71 -9.762 -4.266 0.228 1.00 54.21 N ATOM 0 H GLN A 71 -14.301 -7.614 -2.174 1.00 71.23 H new ATOM 0 HA GLN A 71 -11.529 -7.631 -2.906 1.00 72.13 H new ATOM 0 HB2 GLN A 71 -12.855 -5.910 -1.508 1.00 13.35 H new ATOM 0 HB3 GLN A 71 -12.738 -7.053 -0.185 1.00 13.35 H new ATOM 0 HG2 GLN A 71 -10.394 -6.844 -0.034 1.00 23.55 H new ATOM 0 HG3 GLN A 71 -10.248 -6.188 -1.652 1.00 23.55 H new ATOM 0 HE21 GLN A 71 -8.906 -4.816 0.158 1.00 54.21 H new ATOM 0 HE22 GLN A 71 -9.732 -3.325 0.620 1.00 54.21 H new ATOM 1085 N GLU A 72 -10.437 -9.213 -1.151 1.00 5.24 N ATOM 1086 CA GLU A 72 -9.848 -10.376 -0.498 1.00 12.35 C ATOM 1087 C GLU A 72 -9.792 -10.181 1.015 1.00 34.35 C ATOM 1088 O GLU A 72 -10.006 -11.121 1.780 1.00 11.23 O ATOM 1089 CB GLU A 72 -8.441 -10.636 -1.042 1.00 24.32 C ATOM 1090 CG GLU A 72 -8.361 -10.612 -2.558 1.00 14.10 C ATOM 1091 CD GLU A 72 -7.409 -11.656 -3.109 1.00 35.35 C ATOM 1092 OE1 GLU A 72 -6.223 -11.641 -2.718 1.00 73.11 O ATOM 1093 OE2 GLU A 72 -7.849 -12.486 -3.931 1.00 70.42 O ATOM 0 H GLU A 72 -9.771 -8.475 -1.380 1.00 5.24 H new ATOM 0 HA GLU A 72 -10.478 -11.239 -0.713 1.00 12.35 H new ATOM 0 HB2 GLU A 72 -7.760 -9.886 -0.639 1.00 24.32 H new ATOM 0 HB3 GLU A 72 -8.095 -11.606 -0.684 1.00 24.32 H new ATOM 0 HG2 GLU A 72 -9.355 -10.777 -2.973 1.00 14.10 H new ATOM 0 HG3 GLU A 72 -8.039 -9.623 -2.885 1.00 14.10 H new ATOM 1100 N MET A 73 -9.502 -8.955 1.437 1.00 60.41 N ATOM 1101 CA MET A 73 -9.419 -8.636 2.858 1.00 14.31 C ATOM 1102 C MET A 73 -10.087 -7.296 3.154 1.00 45.15 C ATOM 1103 O MET A 73 -10.341 -6.504 2.248 1.00 52.53 O ATOM 1104 CB MET A 73 -7.958 -8.601 3.309 1.00 42.41 C ATOM 1105 CG MET A 73 -7.360 -9.979 3.541 1.00 54.03 C ATOM 1106 SD MET A 73 -5.557 -9.959 3.568 1.00 20.03 S ATOM 1107 CE MET A 73 -5.251 -8.490 4.545 1.00 12.42 C ATOM 0 H MET A 73 -9.321 -8.166 0.816 1.00 60.41 H new ATOM 0 HA MET A 73 -9.944 -9.414 3.412 1.00 14.31 H new ATOM 0 HB2 MET A 73 -7.367 -8.079 2.557 1.00 42.41 H new ATOM 0 HB3 MET A 73 -7.884 -8.022 4.230 1.00 42.41 H new ATOM 0 HG2 MET A 73 -7.729 -10.376 4.486 1.00 54.03 H new ATOM 0 HG3 MET A 73 -7.700 -10.655 2.757 1.00 54.03 H new ATOM 0 HE1 MET A 73 -4.178 -8.371 4.697 1.00 12.42 H new ATOM 0 HE2 MET A 73 -5.643 -7.617 4.022 1.00 12.42 H new ATOM 0 HE3 MET A 73 -5.746 -8.586 5.512 1.00 12.42 H new ATOM 1117 N SER A 74 -10.370 -7.052 4.430 1.00 12.12 N ATOM 1118 CA SER A 74 -11.013 -5.811 4.845 1.00 24.11 C ATOM 1119 C SER A 74 -9.989 -4.687 4.977 1.00 21.44 C ATOM 1120 O SER A 74 -8.802 -4.934 5.182 1.00 55.33 O ATOM 1121 CB SER A 74 -11.743 -6.010 6.175 1.00 34.33 C ATOM 1122 OG SER A 74 -12.637 -7.106 6.106 1.00 52.13 O ATOM 0 H SER A 74 -10.164 -7.697 5.193 1.00 12.12 H new ATOM 0 HA SER A 74 -11.737 -5.532 4.080 1.00 24.11 H new ATOM 0 HB2 SER A 74 -11.017 -6.178 6.970 1.00 34.33 H new ATOM 0 HB3 SER A 74 -12.292 -5.104 6.431 1.00 34.33 H new ATOM 0 HG SER A 74 -13.090 -7.214 6.968 1.00 52.13 H new ATOM 1128 N ASN A 75 -10.460 -3.449 4.859 1.00 61.21 N ATOM 1129 CA ASN A 75 -9.587 -2.286 4.964 1.00 44.51 C ATOM 1130 C ASN A 75 -8.746 -2.350 6.236 1.00 72.01 C ATOM 1131 O ASN A 75 -7.557 -2.034 6.222 1.00 14.41 O ATOM 1132 CB ASN A 75 -10.414 -0.999 4.950 1.00 4.22 C ATOM 1133 CG ASN A 75 -10.773 -0.557 3.545 1.00 71.12 C ATOM 1134 OD1 ASN A 75 -11.940 -0.312 3.239 1.00 15.40 O ATOM 1135 ND2 ASN A 75 -9.768 -0.454 2.683 1.00 61.32 N ATOM 0 H ASN A 75 -11.441 -3.226 4.691 1.00 61.21 H new ATOM 0 HA ASN A 75 -8.916 -2.288 4.105 1.00 44.51 H new ATOM 0 HB2 ASN A 75 -11.328 -1.151 5.524 1.00 4.22 H new ATOM 0 HB3 ASN A 75 -9.855 -0.206 5.446 1.00 4.22 H new ATOM 0 HD21 ASN A 75 -9.948 -0.161 1.723 1.00 61.32 H new ATOM 0 HD22 ASN A 75 -8.816 -0.667 2.981 1.00 61.32 H new ATOM 1142 N GLU A 76 -9.373 -2.762 7.333 1.00 3.30 N ATOM 1143 CA GLU A 76 -8.683 -2.868 8.613 1.00 0.53 C ATOM 1144 C GLU A 76 -7.543 -3.880 8.535 1.00 0.03 C ATOM 1145 O GLU A 76 -6.424 -3.605 8.969 1.00 71.32 O ATOM 1146 CB GLU A 76 -9.663 -3.272 9.716 1.00 54.30 C ATOM 1147 CG GLU A 76 -10.452 -4.530 9.397 1.00 43.03 C ATOM 1148 CD GLU A 76 -11.873 -4.477 9.924 1.00 0.01 C ATOM 1149 OE1 GLU A 76 -12.143 -3.648 10.818 1.00 22.21 O ATOM 1150 OE2 GLU A 76 -12.715 -5.264 9.443 1.00 72.15 O ATOM 0 H GLU A 76 -10.357 -3.028 7.361 1.00 3.30 H new ATOM 0 HA GLU A 76 -8.263 -1.891 8.851 1.00 0.53 H new ATOM 0 HB2 GLU A 76 -9.111 -3.425 10.643 1.00 54.30 H new ATOM 0 HB3 GLU A 76 -10.359 -2.451 9.891 1.00 54.30 H new ATOM 0 HG2 GLU A 76 -10.474 -4.676 8.317 1.00 43.03 H new ATOM 0 HG3 GLU A 76 -9.942 -5.393 9.825 1.00 43.03 H new ATOM 1157 N GLU A 77 -7.836 -5.050 7.978 1.00 61.55 N ATOM 1158 CA GLU A 77 -6.838 -6.104 7.845 1.00 1.22 C ATOM 1159 C GLU A 77 -5.648 -5.624 7.017 1.00 73.32 C ATOM 1160 O GLU A 77 -4.494 -5.873 7.366 1.00 62.23 O ATOM 1161 CB GLU A 77 -7.456 -7.345 7.197 1.00 24.14 C ATOM 1162 CG GLU A 77 -6.952 -8.653 7.785 1.00 14.35 C ATOM 1163 CD GLU A 77 -7.780 -9.119 8.967 1.00 51.14 C ATOM 1164 OE1 GLU A 77 -7.733 -8.455 10.024 1.00 14.21 O ATOM 1165 OE2 GLU A 77 -8.475 -10.148 8.834 1.00 2.41 O ATOM 0 H GLU A 77 -8.757 -5.292 7.611 1.00 61.55 H new ATOM 0 HA GLU A 77 -6.485 -6.363 8.843 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -8.540 -7.301 7.307 1.00 24.14 H new ATOM 0 HB3 GLU A 77 -7.243 -7.331 6.128 1.00 24.14 H new ATOM 0 HG2 GLU A 77 -6.963 -9.422 7.013 1.00 14.35 H new ATOM 0 HG3 GLU A 77 -5.915 -8.531 8.098 1.00 14.35 H new ATOM 1172 N ILE A 78 -5.940 -4.936 5.918 1.00 3.03 N ATOM 1173 CA ILE A 78 -4.895 -4.421 5.041 1.00 63.53 C ATOM 1174 C ILE A 78 -4.102 -3.312 5.724 1.00 21.15 C ATOM 1175 O ILE A 78 -2.871 -3.331 5.734 1.00 74.43 O ATOM 1176 CB ILE A 78 -5.483 -3.881 3.724 1.00 11.43 C ATOM 1177 CG1 ILE A 78 -6.298 -4.967 3.019 1.00 43.40 C ATOM 1178 CG2 ILE A 78 -4.372 -3.372 2.818 1.00 40.43 C ATOM 1179 CD1 ILE A 78 -7.361 -4.421 2.093 1.00 3.04 C ATOM 0 H ILE A 78 -6.890 -4.723 5.614 1.00 3.03 H new ATOM 0 HA ILE A 78 -4.230 -5.255 4.818 1.00 63.53 H new ATOM 0 HB ILE A 78 -6.148 -3.048 3.955 1.00 11.43 H new ATOM 0 HG12 ILE A 78 -5.622 -5.603 2.448 1.00 43.40 H new ATOM 0 HG13 ILE A 78 -6.772 -5.599 3.770 1.00 43.40 H new ATOM 0 HG21 ILE A 78 -4.803 -2.994 1.891 1.00 40.43 H new ATOM 0 HG22 ILE A 78 -3.831 -2.570 3.321 1.00 40.43 H new ATOM 0 HG23 ILE A 78 -3.685 -4.187 2.592 1.00 40.43 H new ATOM 0 HD11 ILE A 78 -7.898 -5.248 1.628 1.00 3.04 H new ATOM 0 HD12 ILE A 78 -8.060 -3.808 2.662 1.00 3.04 H new ATOM 0 HD13 ILE A 78 -6.892 -3.813 1.319 1.00 3.04 H new ATOM 1191 N ASN A 79 -4.815 -2.347 6.296 1.00 31.14 N ATOM 1192 CA ASN A 79 -4.176 -1.230 6.982 1.00 63.33 C ATOM 1193 C ASN A 79 -3.175 -1.729 8.020 1.00 54.11 C ATOM 1194 O ASN A 79 -2.043 -1.251 8.082 1.00 43.24 O ATOM 1195 CB ASN A 79 -5.231 -0.350 7.657 1.00 12.21 C ATOM 1196 CG ASN A 79 -4.900 -0.061 9.109 1.00 53.32 C ATOM 1197 OD1 ASN A 79 -4.129 0.849 9.412 1.00 40.05 O ATOM 1198 ND2 ASN A 79 -5.484 -0.839 10.014 1.00 55.30 N ATOM 0 H ASN A 79 -5.835 -2.316 6.298 1.00 31.14 H new ATOM 0 HA ASN A 79 -3.639 -0.639 6.240 1.00 63.33 H new ATOM 0 HB2 ASN A 79 -5.318 0.590 7.113 1.00 12.21 H new ATOM 0 HB3 ASN A 79 -6.202 -0.842 7.600 1.00 12.21 H new ATOM 0 HD21 ASN A 79 -5.300 -0.694 11.007 1.00 55.30 H new ATOM 0 HD22 ASN A 79 -6.117 -1.582 9.716 1.00 55.30 H new ATOM 1205 N GLU A 80 -3.601 -2.693 8.829 1.00 64.23 N ATOM 1206 CA GLU A 80 -2.741 -3.256 9.864 1.00 73.22 C ATOM 1207 C GLU A 80 -1.707 -4.200 9.256 1.00 22.35 C ATOM 1208 O GLU A 80 -0.615 -4.370 9.797 1.00 63.14 O ATOM 1209 CB GLU A 80 -3.579 -4.002 10.904 1.00 44.31 C ATOM 1210 CG GLU A 80 -3.821 -5.462 10.558 1.00 3.42 C ATOM 1211 CD GLU A 80 -2.705 -6.368 11.044 1.00 21.32 C ATOM 1212 OE1 GLU A 80 -2.393 -6.330 12.252 1.00 1.32 O ATOM 1213 OE2 GLU A 80 -2.146 -7.116 10.214 1.00 23.41 O ATOM 0 H GLU A 80 -4.535 -3.100 8.788 1.00 64.23 H new ATOM 0 HA GLU A 80 -2.216 -2.435 10.352 1.00 73.22 H new ATOM 0 HB2 GLU A 80 -3.078 -3.945 11.871 1.00 44.31 H new ATOM 0 HB3 GLU A 80 -4.540 -3.499 11.012 1.00 44.31 H new ATOM 0 HG2 GLU A 80 -4.764 -5.785 10.999 1.00 3.42 H new ATOM 0 HG3 GLU A 80 -3.923 -5.564 9.478 1.00 3.42 H new ATOM 1220 N GLU A 81 -2.061 -4.810 8.129 1.00 3.35 N ATOM 1221 CA GLU A 81 -1.163 -5.737 7.450 1.00 75.35 C ATOM 1222 C GLU A 81 0.131 -5.040 7.038 1.00 64.12 C ATOM 1223 O GLU A 81 1.226 -5.501 7.361 1.00 11.45 O ATOM 1224 CB GLU A 81 -1.848 -6.333 6.218 1.00 52.45 C ATOM 1225 CG GLU A 81 -0.916 -7.153 5.341 1.00 64.15 C ATOM 1226 CD GLU A 81 -0.085 -8.141 6.138 1.00 12.43 C ATOM 1227 OE1 GLU A 81 -0.662 -9.114 6.664 1.00 23.51 O ATOM 1228 OE2 GLU A 81 1.144 -7.940 6.233 1.00 34.21 O ATOM 0 H GLU A 81 -2.961 -4.679 7.668 1.00 3.35 H new ATOM 0 HA GLU A 81 -0.917 -6.539 8.146 1.00 75.35 H new ATOM 0 HB2 GLU A 81 -2.676 -6.963 6.542 1.00 52.45 H new ATOM 0 HB3 GLU A 81 -2.276 -5.525 5.624 1.00 52.45 H new ATOM 0 HG2 GLU A 81 -1.503 -7.693 4.599 1.00 64.15 H new ATOM 0 HG3 GLU A 81 -0.252 -6.482 4.796 1.00 64.15 H new ATOM 1235 N LEU A 82 -0.005 -3.927 6.325 1.00 62.04 N ATOM 1236 CA LEU A 82 1.152 -3.166 5.869 1.00 3.45 C ATOM 1237 C LEU A 82 1.623 -2.192 6.946 1.00 51.04 C ATOM 1238 O LEU A 82 2.806 -1.865 7.027 1.00 42.20 O ATOM 1239 CB LEU A 82 0.812 -2.402 4.588 1.00 21.44 C ATOM 1240 CG LEU A 82 0.140 -3.214 3.481 1.00 1.32 C ATOM 1241 CD1 LEU A 82 -1.331 -2.848 3.368 1.00 32.54 C ATOM 1242 CD2 LEU A 82 0.850 -2.994 2.153 1.00 12.00 C ATOM 0 H LEU A 82 -0.905 -3.532 6.051 1.00 62.04 H new ATOM 0 HA LEU A 82 1.959 -3.869 5.663 1.00 3.45 H new ATOM 0 HB2 LEU A 82 0.159 -1.569 4.848 1.00 21.44 H new ATOM 0 HB3 LEU A 82 1.732 -1.973 4.190 1.00 21.44 H new ATOM 0 HG LEU A 82 0.211 -4.271 3.738 1.00 1.32 H new ATOM 0 HD11 LEU A 82 -1.792 -3.436 2.575 1.00 32.54 H new ATOM 0 HD12 LEU A 82 -1.832 -3.057 4.313 1.00 32.54 H new ATOM 0 HD13 LEU A 82 -1.425 -1.787 3.135 1.00 32.54 H new ATOM 0 HD21 LEU A 82 0.358 -3.580 1.376 1.00 12.00 H new ATOM 0 HD22 LEU A 82 0.811 -1.937 1.890 1.00 12.00 H new ATOM 0 HD23 LEU A 82 1.890 -3.308 2.240 1.00 12.00 H new ATOM 1254 N GLY A 83 0.687 -1.735 7.772 1.00 11.23 N ATOM 1255 CA GLY A 83 1.026 -0.805 8.835 1.00 55.40 C ATOM 1256 C GLY A 83 0.886 0.641 8.405 1.00 22.22 C ATOM 1257 O GLY A 83 1.697 1.488 8.782 1.00 32.32 O ATOM 0 H GLY A 83 -0.299 -1.991 7.725 1.00 11.23 H new ATOM 0 HA2 GLY A 83 0.381 -0.989 9.694 1.00 55.40 H new ATOM 0 HA3 GLY A 83 2.050 -0.987 9.160 1.00 55.40 H new ATOM 1261 N ILE A 84 -0.143 0.925 7.613 1.00 11.30 N ATOM 1262 CA ILE A 84 -0.384 2.280 7.132 1.00 63.15 C ATOM 1263 C ILE A 84 -1.557 2.923 7.866 1.00 41.02 C ATOM 1264 O ILE A 84 -2.105 2.348 8.805 1.00 61.33 O ATOM 1265 CB ILE A 84 -0.669 2.298 5.619 1.00 60.24 C ATOM 1266 CG1 ILE A 84 -1.948 1.516 5.309 1.00 31.43 C ATOM 1267 CG2 ILE A 84 0.510 1.718 4.851 1.00 21.03 C ATOM 1268 CD1 ILE A 84 -2.383 1.619 3.864 1.00 71.43 C ATOM 0 H ILE A 84 -0.822 0.236 7.291 1.00 11.30 H new ATOM 0 HA ILE A 84 0.523 2.851 7.330 1.00 63.15 H new ATOM 0 HB ILE A 84 -0.811 3.332 5.304 1.00 60.24 H new ATOM 0 HG12 ILE A 84 -1.792 0.467 5.559 1.00 31.43 H new ATOM 0 HG13 ILE A 84 -2.751 1.881 5.949 1.00 31.43 H new ATOM 0 HG21 ILE A 84 0.293 1.737 3.783 1.00 21.03 H new ATOM 0 HG22 ILE A 84 1.402 2.311 5.051 1.00 21.03 H new ATOM 0 HG23 ILE A 84 0.680 0.689 5.168 1.00 21.03 H new ATOM 0 HD11 ILE A 84 -3.295 1.041 3.717 1.00 71.43 H new ATOM 0 HD12 ILE A 84 -2.571 2.663 3.614 1.00 71.43 H new ATOM 0 HD13 ILE A 84 -1.597 1.227 3.219 1.00 71.43 H new ATOM 1280 N GLY A 85 -1.937 4.119 7.429 1.00 73.33 N ATOM 1281 CA GLY A 85 -3.044 4.820 8.053 1.00 51.43 C ATOM 1282 C GLY A 85 -4.186 5.078 7.090 1.00 40.32 C ATOM 1283 O GLY A 85 -4.527 6.228 6.816 1.00 3.31 O ATOM 0 H GLY A 85 -1.498 4.616 6.654 1.00 73.33 H new ATOM 0 HA2 GLY A 85 -3.410 4.236 8.897 1.00 51.43 H new ATOM 0 HA3 GLY A 85 -2.689 5.770 8.453 1.00 51.43 H new ATOM 1287 N GLN A 86 -4.776 4.004 6.575 1.00 53.13 N ATOM 1288 CA GLN A 86 -5.885 4.120 5.634 1.00 4.44 C ATOM 1289 C GLN A 86 -6.976 5.030 6.189 1.00 23.23 C ATOM 1290 O GLN A 86 -6.978 5.362 7.374 1.00 25.11 O ATOM 1291 CB GLN A 86 -6.464 2.740 5.324 1.00 71.34 C ATOM 1292 CG GLN A 86 -5.969 2.152 4.012 1.00 11.23 C ATOM 1293 CD GLN A 86 -6.059 0.639 3.979 1.00 33.30 C ATOM 1294 OE1 GLN A 86 -6.824 0.035 4.731 1.00 1.35 O ATOM 1295 NE2 GLN A 86 -5.278 0.019 3.102 1.00 2.53 N ATOM 0 H GLN A 86 -4.505 3.045 6.793 1.00 53.13 H new ATOM 0 HA GLN A 86 -5.503 4.561 4.713 1.00 4.44 H new ATOM 0 HB2 GLN A 86 -6.211 2.058 6.136 1.00 71.34 H new ATOM 0 HB3 GLN A 86 -7.551 2.810 5.294 1.00 71.34 H new ATOM 0 HG2 GLN A 86 -6.554 2.565 3.190 1.00 11.23 H new ATOM 0 HG3 GLN A 86 -4.934 2.454 3.850 1.00 11.23 H new ATOM 0 HE21 GLN A 86 -4.659 0.560 2.498 1.00 2.53 H new ATOM 0 HE22 GLN A 86 -5.297 -0.998 3.032 1.00 2.53 H new