USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 559 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 29 THR OG1 : rot -140:sc= -1.02 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot 130:sc= 1.3 USER MOD Set 2.2: A 90 MET CE :methyl 146:sc= -0.0487 (180deg=-1.15) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0.839 (180deg=0.684) USER MOD Single : A 33 SER OG : rot -65:sc= 1.27 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 77:sc= 0.587 USER MOD Single : A 46 MET CE :methyl -162:sc= -4.33! (180deg=-4.44!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00563 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -79:sc= 1.23 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.00504 K(o=-0.005,f=-0.81) USER MOD Single : A 85 SER OG : rot -170:sc= -0.0121 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -1.937 -4.739 10.564 1.00 42.03 N ATOM 378 CA ASN A 27 -2.298 -6.147 10.413 1.00 53.00 C ATOM 379 C ASN A 27 -1.607 -6.695 9.173 1.00 14.33 C ATOM 380 O ASN A 27 -0.561 -6.184 8.772 1.00 70.41 O ATOM 381 CB ASN A 27 -3.821 -6.315 10.280 1.00 73.30 C ATOM 382 CG ASN A 27 -4.569 -6.061 11.576 1.00 22.24 C ATOM 383 OD1 ASN A 27 -4.749 -6.967 12.390 1.00 24.51 O ATOM 384 ND2 ASN A 27 -5.021 -4.832 11.771 1.00 61.24 N ATOM 0 HA ASN A 27 -1.977 -6.695 11.299 1.00 53.00 H new ATOM 0 HB2 ASN A 27 -4.190 -5.631 9.516 1.00 73.30 H new ATOM 0 HB3 ASN A 27 -4.039 -7.326 9.935 1.00 73.30 H new ATOM 0 HD21 ASN A 27 -5.539 -4.608 12.620 1.00 61.24 H new ATOM 0 HD22 ASN A 27 -4.851 -4.109 11.072 1.00 61.24 H new ATOM 391 N CYS A 28 -2.168 -7.741 8.582 1.00 13.31 N ATOM 392 CA CYS A 28 -1.673 -8.245 7.310 1.00 12.34 C ATOM 393 C CYS A 28 -2.702 -7.972 6.210 1.00 62.02 C ATOM 394 O CYS A 28 -2.533 -8.377 5.058 1.00 52.41 O ATOM 395 CB CYS A 28 -1.377 -9.743 7.409 1.00 32.21 C ATOM 396 SG CYS A 28 -0.278 -10.190 8.776 1.00 44.40 S ATOM 0 H CYS A 28 -2.963 -8.255 8.962 1.00 13.31 H new ATOM 0 HA CYS A 28 -0.745 -7.730 7.060 1.00 12.34 H new ATOM 0 HB2 CYS A 28 -2.318 -10.282 7.522 1.00 32.21 H new ATOM 0 HB3 CYS A 28 -0.929 -10.077 6.473 1.00 32.21 H new ATOM 0 HG CYS A 28 -0.089 -11.476 8.778 1.00 44.40 H new ATOM 402 N THR A 29 -3.775 -7.279 6.588 1.00 33.32 N ATOM 403 CA THR A 29 -4.819 -6.890 5.651 1.00 1.41 C ATOM 404 C THR A 29 -4.888 -5.369 5.550 1.00 24.44 C ATOM 405 O THR A 29 -5.101 -4.689 6.553 1.00 63.20 O ATOM 406 CB THR A 29 -6.198 -7.429 6.089 1.00 64.44 C ATOM 407 OG1 THR A 29 -6.151 -8.852 6.240 1.00 75.34 O ATOM 408 CG2 THR A 29 -7.278 -7.066 5.079 1.00 72.41 C ATOM 0 H THR A 29 -3.942 -6.975 7.547 1.00 33.32 H new ATOM 0 HA THR A 29 -4.570 -7.319 4.680 1.00 1.41 H new ATOM 0 HB THR A 29 -6.444 -6.967 7.045 1.00 64.44 H new ATOM 0 HG1 THR A 29 -6.979 -9.245 5.893 1.00 75.34 H new ATOM 0 HG21 THR A 29 -8.237 -7.459 5.415 1.00 72.41 H new ATOM 0 HG22 THR A 29 -7.342 -5.982 4.989 1.00 72.41 H new ATOM 0 HG23 THR A 29 -7.029 -7.497 4.109 1.00 72.41 H new ATOM 416 N SER A 30 -4.700 -4.840 4.351 1.00 21.40 N ATOM 417 CA SER A 30 -4.719 -3.403 4.144 1.00 23.14 C ATOM 418 C SER A 30 -6.028 -2.973 3.490 1.00 13.14 C ATOM 419 O SER A 30 -6.442 -3.531 2.471 1.00 33.54 O ATOM 420 CB SER A 30 -3.527 -2.974 3.285 1.00 22.11 C ATOM 421 OG SER A 30 -3.374 -1.565 3.282 1.00 12.11 O ATOM 0 H SER A 30 -4.532 -5.386 3.506 1.00 21.40 H new ATOM 0 HA SER A 30 -4.643 -2.913 5.115 1.00 23.14 H new ATOM 0 HB2 SER A 30 -2.617 -3.440 3.664 1.00 22.11 H new ATOM 0 HB3 SER A 30 -3.666 -3.329 2.264 1.00 22.11 H new ATOM 0 HG SER A 30 -2.446 -1.336 3.497 1.00 12.11 H new ATOM 427 N LYS A 31 -6.691 -2.000 4.101 1.00 53.15 N ATOM 428 CA LYS A 31 -7.908 -1.425 3.548 1.00 23.01 C ATOM 429 C LYS A 31 -7.582 -0.124 2.832 1.00 4.25 C ATOM 430 O LYS A 31 -6.922 0.750 3.393 1.00 61.13 O ATOM 431 CB LYS A 31 -8.929 -1.149 4.656 1.00 23.32 C ATOM 432 CG LYS A 31 -9.571 -2.399 5.243 1.00 73.05 C ATOM 433 CD LYS A 31 -10.503 -3.076 4.250 1.00 61.14 C ATOM 434 CE LYS A 31 -11.566 -2.119 3.734 1.00 5.22 C ATOM 435 NZ LYS A 31 -12.582 -2.808 2.894 1.00 65.14 N ATOM 0 H LYS A 31 -6.402 -1.590 4.989 1.00 53.15 H new ATOM 0 HA LYS A 31 -8.336 -2.139 2.844 1.00 23.01 H new ATOM 0 HB2 LYS A 31 -8.438 -0.597 5.457 1.00 23.32 H new ATOM 0 HB3 LYS A 31 -9.713 -0.504 4.259 1.00 23.32 H new ATOM 0 HG2 LYS A 31 -8.792 -3.099 5.546 1.00 73.05 H new ATOM 0 HG3 LYS A 31 -10.128 -2.134 6.141 1.00 73.05 H new ATOM 0 HD2 LYS A 31 -9.923 -3.462 3.412 1.00 61.14 H new ATOM 0 HD3 LYS A 31 -10.983 -3.931 4.726 1.00 61.14 H new ATOM 0 HE2 LYS A 31 -12.060 -1.638 4.578 1.00 5.22 H new ATOM 0 HE3 LYS A 31 -11.090 -1.330 3.152 1.00 5.22 H new ATOM 0 HZ1 LYS A 31 -13.365 -2.155 2.691 1.00 65.14 H new ATOM 0 HZ2 LYS A 31 -12.145 -3.113 2.001 1.00 65.14 H new ATOM 0 HZ3 LYS A 31 -12.947 -3.639 3.402 1.00 65.14 H new ATOM 449 N PHE A 32 -8.019 -0.008 1.592 1.00 23.44 N ATOM 450 CA PHE A 32 -7.852 1.227 0.845 1.00 23.54 C ATOM 451 C PHE A 32 -9.216 1.772 0.444 1.00 31.42 C ATOM 452 O PHE A 32 -9.967 1.108 -0.270 1.00 20.25 O ATOM 453 CB PHE A 32 -6.987 0.991 -0.398 1.00 71.21 C ATOM 454 CG PHE A 32 -6.716 2.239 -1.187 1.00 2.04 C ATOM 455 CD1 PHE A 32 -5.682 3.091 -0.830 1.00 73.51 C ATOM 456 CD2 PHE A 32 -7.499 2.565 -2.284 1.00 61.33 C ATOM 457 CE1 PHE A 32 -5.435 4.242 -1.552 1.00 13.24 C ATOM 458 CE2 PHE A 32 -7.255 3.714 -3.009 1.00 43.13 C ATOM 459 CZ PHE A 32 -6.223 4.553 -2.642 1.00 32.33 C ATOM 0 H PHE A 32 -8.492 -0.753 1.080 1.00 23.44 H new ATOM 0 HA PHE A 32 -7.348 1.957 1.478 1.00 23.54 H new ATOM 0 HB2 PHE A 32 -6.038 0.551 -0.092 1.00 71.21 H new ATOM 0 HB3 PHE A 32 -7.482 0.264 -1.042 1.00 71.21 H new ATOM 0 HD1 PHE A 32 -5.063 2.852 0.022 1.00 73.51 H new ATOM 0 HD2 PHE A 32 -8.309 1.912 -2.574 1.00 61.33 H new ATOM 0 HE1 PHE A 32 -4.627 4.898 -1.264 1.00 13.24 H new ATOM 0 HE2 PHE A 32 -7.871 3.956 -3.862 1.00 43.13 H new ATOM 0 HZ PHE A 32 -6.032 5.453 -3.207 1.00 32.33 H new ATOM 469 N SER A 33 -9.540 2.966 0.916 1.00 43.14 N ATOM 470 CA SER A 33 -10.819 3.583 0.606 1.00 14.15 C ATOM 471 C SER A 33 -10.605 4.999 0.078 1.00 2.42 C ATOM 472 O SER A 33 -10.079 5.861 0.786 1.00 10.11 O ATOM 473 CB SER A 33 -11.698 3.617 1.860 1.00 45.43 C ATOM 474 OG SER A 33 -11.646 2.378 2.553 1.00 2.34 O ATOM 0 H SER A 33 -8.934 3.527 1.515 1.00 43.14 H new ATOM 0 HA SER A 33 -11.319 2.994 -0.163 1.00 14.15 H new ATOM 0 HB2 SER A 33 -11.367 4.420 2.519 1.00 45.43 H new ATOM 0 HB3 SER A 33 -12.728 3.838 1.580 1.00 45.43 H new ATOM 0 HG SER A 33 -12.036 1.674 1.994 1.00 2.34 H new ATOM 480 N ARG A 34 -10.991 5.229 -1.169 1.00 62.53 N ATOM 481 CA ARG A 34 -10.848 6.546 -1.777 1.00 22.21 C ATOM 482 C ARG A 34 -12.096 6.890 -2.580 1.00 12.44 C ATOM 483 O ARG A 34 -12.697 6.022 -3.214 1.00 5.43 O ATOM 484 CB ARG A 34 -9.615 6.588 -2.683 1.00 51.24 C ATOM 485 CG ARG A 34 -9.119 7.996 -2.983 1.00 33.15 C ATOM 486 CD ARG A 34 -7.936 7.972 -3.939 1.00 72.11 C ATOM 487 NE ARG A 34 -7.155 9.207 -3.877 1.00 50.21 N ATOM 488 CZ ARG A 34 -6.985 10.046 -4.901 1.00 5.43 C ATOM 489 NH1 ARG A 34 -7.581 9.821 -6.065 1.00 51.23 N ATOM 490 NH2 ARG A 34 -6.222 11.115 -4.761 1.00 11.02 N ATOM 0 H ARG A 34 -11.405 4.524 -1.779 1.00 62.53 H new ATOM 0 HA ARG A 34 -10.721 7.282 -0.983 1.00 22.21 H new ATOM 0 HB2 ARG A 34 -8.811 6.022 -2.212 1.00 51.24 H new ATOM 0 HB3 ARG A 34 -9.849 6.088 -3.623 1.00 51.24 H new ATOM 0 HG2 ARG A 34 -9.928 8.584 -3.416 1.00 33.15 H new ATOM 0 HG3 ARG A 34 -8.829 8.488 -2.054 1.00 33.15 H new ATOM 0 HD2 ARG A 34 -7.294 7.125 -3.699 1.00 72.11 H new ATOM 0 HD3 ARG A 34 -8.296 7.821 -4.957 1.00 72.11 H new ATOM 0 HE ARG A 34 -6.710 9.443 -2.990 1.00 50.21 H new ATOM 0 HH11 ARG A 34 -8.176 9.001 -6.183 1.00 51.23 H new ATOM 0 HH12 ARG A 34 -7.445 10.468 -6.841 1.00 51.23 H new ATOM 0 HH21 ARG A 34 -5.762 11.300 -3.870 1.00 11.02 H new ATOM 0 HH22 ARG A 34 -6.093 11.755 -5.544 1.00 11.02 H new ATOM 504 N PHE A 35 -12.490 8.151 -2.543 1.00 73.54 N ATOM 505 CA PHE A 35 -13.669 8.601 -3.272 1.00 64.44 C ATOM 506 C PHE A 35 -13.289 9.077 -4.666 1.00 1.23 C ATOM 507 O PHE A 35 -12.215 9.647 -4.864 1.00 64.41 O ATOM 508 CB PHE A 35 -14.383 9.722 -2.516 1.00 51.24 C ATOM 509 CG PHE A 35 -14.966 9.287 -1.203 1.00 55.34 C ATOM 510 CD1 PHE A 35 -16.223 8.705 -1.148 1.00 50.41 C ATOM 511 CD2 PHE A 35 -14.263 9.467 -0.023 1.00 33.24 C ATOM 512 CE1 PHE A 35 -16.766 8.309 0.060 1.00 60.21 C ATOM 513 CE2 PHE A 35 -14.801 9.074 1.186 1.00 31.53 C ATOM 514 CZ PHE A 35 -16.054 8.494 1.227 1.00 34.00 C ATOM 0 H PHE A 35 -12.013 8.883 -2.017 1.00 73.54 H new ATOM 0 HA PHE A 35 -14.349 7.754 -3.362 1.00 64.44 H new ATOM 0 HB2 PHE A 35 -13.679 10.535 -2.339 1.00 51.24 H new ATOM 0 HB3 PHE A 35 -15.180 10.121 -3.143 1.00 51.24 H new ATOM 0 HD1 PHE A 35 -16.784 8.559 -2.059 1.00 50.41 H new ATOM 0 HD2 PHE A 35 -13.283 9.920 -0.049 1.00 33.24 H new ATOM 0 HE1 PHE A 35 -17.746 7.856 0.090 1.00 60.21 H new ATOM 0 HE2 PHE A 35 -14.243 9.220 2.099 1.00 31.53 H new ATOM 0 HZ PHE A 35 -16.476 8.186 2.172 1.00 34.00 H new ATOM 524 N PHE A 36 -14.159 8.824 -5.630 1.00 45.03 N ATOM 525 CA PHE A 36 -13.927 9.258 -6.996 1.00 71.52 C ATOM 526 C PHE A 36 -15.170 9.921 -7.567 1.00 74.11 C ATOM 527 O PHE A 36 -16.282 9.681 -7.094 1.00 23.24 O ATOM 528 CB PHE A 36 -13.511 8.076 -7.874 1.00 3.52 C ATOM 529 CG PHE A 36 -12.146 7.536 -7.556 1.00 12.31 C ATOM 530 CD1 PHE A 36 -11.015 8.124 -8.097 1.00 12.24 C ATOM 531 CD2 PHE A 36 -11.992 6.445 -6.717 1.00 32.20 C ATOM 532 CE1 PHE A 36 -9.757 7.634 -7.808 1.00 32.00 C ATOM 533 CE2 PHE A 36 -10.735 5.951 -6.423 1.00 4.13 C ATOM 534 CZ PHE A 36 -9.616 6.547 -6.969 1.00 5.25 C ATOM 0 H PHE A 36 -15.034 8.319 -5.490 1.00 45.03 H new ATOM 0 HA PHE A 36 -13.117 9.987 -6.986 1.00 71.52 H new ATOM 0 HB2 PHE A 36 -14.243 7.276 -7.762 1.00 3.52 H new ATOM 0 HB3 PHE A 36 -13.535 8.385 -8.919 1.00 3.52 H new ATOM 0 HD1 PHE A 36 -11.118 8.976 -8.753 1.00 12.24 H new ATOM 0 HD2 PHE A 36 -12.864 5.975 -6.287 1.00 32.20 H new ATOM 0 HE1 PHE A 36 -8.883 8.101 -8.238 1.00 32.00 H new ATOM 0 HE2 PHE A 36 -10.628 5.100 -5.767 1.00 4.13 H new ATOM 0 HZ PHE A 36 -8.633 6.164 -6.740 1.00 5.25 H new ATOM 544 N ALA A 37 -14.976 10.755 -8.583 1.00 13.44 N ATOM 545 CA ALA A 37 -16.076 11.485 -9.200 1.00 15.32 C ATOM 546 C ALA A 37 -17.051 10.540 -9.895 1.00 71.41 C ATOM 547 O ALA A 37 -18.267 10.665 -9.752 1.00 41.41 O ATOM 548 CB ALA A 37 -15.537 12.508 -10.186 1.00 11.21 C ATOM 0 H ALA A 37 -14.063 10.942 -8.998 1.00 13.44 H new ATOM 0 HA ALA A 37 -16.621 12.003 -8.411 1.00 15.32 H new ATOM 0 HB1 ALA A 37 -16.368 13.048 -10.641 1.00 11.21 H new ATOM 0 HB2 ALA A 37 -14.890 13.212 -9.663 1.00 11.21 H new ATOM 0 HB3 ALA A 37 -14.966 11.999 -10.963 1.00 11.21 H new ATOM 554 N THR A 38 -16.512 9.592 -10.644 1.00 21.00 N ATOM 555 CA THR A 38 -17.336 8.631 -11.356 1.00 20.42 C ATOM 556 C THR A 38 -17.008 7.220 -10.895 1.00 35.44 C ATOM 557 O THR A 38 -15.895 6.959 -10.438 1.00 32.44 O ATOM 558 CB THR A 38 -17.099 8.714 -12.874 1.00 30.34 C ATOM 559 OG1 THR A 38 -16.531 9.987 -13.213 1.00 33.31 O ATOM 560 CG2 THR A 38 -18.397 8.517 -13.641 1.00 25.44 C ATOM 0 H THR A 38 -15.508 9.468 -10.774 1.00 21.00 H new ATOM 0 HA THR A 38 -18.378 8.867 -11.141 1.00 20.42 H new ATOM 0 HB THR A 38 -16.408 7.919 -13.152 1.00 30.34 H new ATOM 0 HG1 THR A 38 -16.382 10.031 -14.181 1.00 33.31 H new ATOM 0 HG21 THR A 38 -18.200 8.581 -14.711 1.00 25.44 H new ATOM 0 HG22 THR A 38 -18.813 7.537 -13.406 1.00 25.44 H new ATOM 0 HG23 THR A 38 -19.109 9.292 -13.356 1.00 25.44 H new ATOM 568 N ARG A 39 -17.969 6.315 -11.021 1.00 53.54 N ATOM 569 CA ARG A 39 -17.747 4.908 -10.694 1.00 11.03 C ATOM 570 C ARG A 39 -16.614 4.337 -11.545 1.00 70.44 C ATOM 571 O ARG A 39 -15.821 3.516 -11.087 1.00 31.50 O ATOM 572 CB ARG A 39 -19.035 4.118 -10.917 1.00 2.43 C ATOM 573 CG ARG A 39 -18.924 2.645 -10.569 1.00 21.13 C ATOM 574 CD ARG A 39 -20.203 1.901 -10.909 1.00 24.32 C ATOM 575 NE ARG A 39 -20.062 0.461 -10.712 1.00 20.43 N ATOM 576 CZ ARG A 39 -19.797 -0.401 -11.695 1.00 74.03 C ATOM 577 NH1 ARG A 39 -19.623 0.039 -12.932 1.00 3.21 N ATOM 578 NH2 ARG A 39 -19.699 -1.700 -11.437 1.00 51.30 N ATOM 0 H ARG A 39 -18.912 6.528 -11.347 1.00 53.54 H new ATOM 0 HA ARG A 39 -17.460 4.827 -9.646 1.00 11.03 H new ATOM 0 HB2 ARG A 39 -19.830 4.563 -10.319 1.00 2.43 H new ATOM 0 HB3 ARG A 39 -19.331 4.213 -11.962 1.00 2.43 H new ATOM 0 HG2 ARG A 39 -18.088 2.203 -11.111 1.00 21.13 H new ATOM 0 HG3 ARG A 39 -18.708 2.535 -9.506 1.00 21.13 H new ATOM 0 HD2 ARG A 39 -21.017 2.275 -10.288 1.00 24.32 H new ATOM 0 HD3 ARG A 39 -20.475 2.101 -11.945 1.00 24.32 H new ATOM 0 HE ARG A 39 -20.173 0.093 -9.767 1.00 20.43 H new ATOM 0 HH11 ARG A 39 -19.692 1.037 -13.133 1.00 3.21 H new ATOM 0 HH12 ARG A 39 -19.420 -0.620 -13.684 1.00 3.21 H new ATOM 0 HH21 ARG A 39 -19.827 -2.042 -10.484 1.00 51.30 H new ATOM 0 HH22 ARG A 39 -19.496 -2.356 -12.191 1.00 51.30 H new ATOM 592 N GLU A 40 -16.540 4.808 -12.780 1.00 65.34 N ATOM 593 CA GLU A 40 -15.506 4.394 -13.722 1.00 0.24 C ATOM 594 C GLU A 40 -14.120 4.751 -13.220 1.00 71.20 C ATOM 595 O GLU A 40 -13.163 3.997 -13.397 1.00 4.43 O ATOM 596 CB GLU A 40 -15.750 5.072 -15.055 1.00 14.32 C ATOM 597 CG GLU A 40 -17.070 4.675 -15.664 1.00 31.50 C ATOM 598 CD GLU A 40 -17.418 5.458 -16.907 1.00 23.11 C ATOM 599 OE1 GLU A 40 -16.584 5.527 -17.833 1.00 52.21 O ATOM 600 OE2 GLU A 40 -18.543 5.989 -16.970 1.00 64.11 O ATOM 0 H GLU A 40 -17.196 5.490 -13.161 1.00 65.34 H new ATOM 0 HA GLU A 40 -15.555 3.311 -13.831 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -15.725 6.153 -14.920 1.00 14.32 H new ATOM 0 HB3 GLU A 40 -14.944 4.818 -15.743 1.00 14.32 H new ATOM 0 HG2 GLU A 40 -17.044 3.613 -15.908 1.00 31.50 H new ATOM 0 HG3 GLU A 40 -17.859 4.813 -14.924 1.00 31.50 H new ATOM 607 N GLU A 41 -14.029 5.915 -12.598 1.00 44.21 N ATOM 608 CA GLU A 41 -12.786 6.387 -11.995 1.00 2.50 C ATOM 609 C GLU A 41 -12.246 5.366 -11.000 1.00 24.24 C ATOM 610 O GLU A 41 -11.035 5.211 -10.842 1.00 44.14 O ATOM 611 CB GLU A 41 -13.024 7.719 -11.285 1.00 62.31 C ATOM 612 CG GLU A 41 -13.323 8.870 -12.224 1.00 40.34 C ATOM 613 CD GLU A 41 -12.122 9.243 -13.061 1.00 3.11 C ATOM 614 OE1 GLU A 41 -11.220 9.924 -12.530 1.00 64.03 O ATOM 615 OE2 GLU A 41 -12.066 8.851 -14.246 1.00 34.41 O ATOM 0 H GLU A 41 -14.812 6.561 -12.495 1.00 44.21 H new ATOM 0 HA GLU A 41 -12.051 6.524 -12.788 1.00 2.50 H new ATOM 0 HB2 GLU A 41 -13.855 7.605 -10.589 1.00 62.31 H new ATOM 0 HB3 GLU A 41 -12.143 7.966 -10.692 1.00 62.31 H new ATOM 0 HG2 GLU A 41 -14.151 8.598 -12.879 1.00 40.34 H new ATOM 0 HG3 GLU A 41 -13.645 9.736 -11.645 1.00 40.34 H new ATOM 622 N ALA A 42 -13.157 4.668 -10.345 1.00 64.34 N ATOM 623 CA ALA A 42 -12.794 3.657 -9.366 1.00 22.12 C ATOM 624 C ALA A 42 -12.315 2.390 -10.065 1.00 25.44 C ATOM 625 O ALA A 42 -11.312 1.791 -9.674 1.00 22.53 O ATOM 626 CB ALA A 42 -13.975 3.365 -8.456 1.00 63.34 C ATOM 0 H ALA A 42 -14.162 4.784 -10.475 1.00 64.34 H new ATOM 0 HA ALA A 42 -11.975 4.034 -8.753 1.00 22.12 H new ATOM 0 HB1 ALA A 42 -13.693 2.606 -7.726 1.00 63.34 H new ATOM 0 HB2 ALA A 42 -14.268 4.277 -7.936 1.00 63.34 H new ATOM 0 HB3 ALA A 42 -14.812 3.002 -9.052 1.00 63.34 H new ATOM 632 N GLU A 43 -13.036 2.001 -11.115 1.00 54.21 N ATOM 633 CA GLU A 43 -12.683 0.827 -11.910 1.00 72.12 C ATOM 634 C GLU A 43 -11.283 0.983 -12.495 1.00 71.22 C ATOM 635 O GLU A 43 -10.449 0.081 -12.400 1.00 54.33 O ATOM 636 CB GLU A 43 -13.688 0.633 -13.049 1.00 44.23 C ATOM 637 CG GLU A 43 -15.124 0.476 -12.586 1.00 65.22 C ATOM 638 CD GLU A 43 -16.097 0.387 -13.744 1.00 71.41 C ATOM 639 OE1 GLU A 43 -16.114 -0.655 -14.437 1.00 62.21 O ATOM 640 OE2 GLU A 43 -16.850 1.357 -13.973 1.00 52.13 O ATOM 0 H GLU A 43 -13.874 2.486 -11.436 1.00 54.21 H new ATOM 0 HA GLU A 43 -12.705 -0.045 -11.257 1.00 72.12 H new ATOM 0 HB2 GLU A 43 -13.626 1.487 -13.724 1.00 44.23 H new ATOM 0 HB3 GLU A 43 -13.404 -0.249 -13.624 1.00 44.23 H new ATOM 0 HG2 GLU A 43 -15.209 -0.421 -11.973 1.00 65.22 H new ATOM 0 HG3 GLU A 43 -15.393 1.321 -11.953 1.00 65.22 H new ATOM 647 N SER A 44 -11.035 2.144 -13.084 1.00 40.41 N ATOM 648 CA SER A 44 -9.759 2.441 -13.712 1.00 3.15 C ATOM 649 C SER A 44 -8.626 2.461 -12.688 1.00 64.05 C ATOM 650 O SER A 44 -7.486 2.119 -13.003 1.00 34.11 O ATOM 651 CB SER A 44 -9.853 3.790 -14.426 1.00 30.21 C ATOM 652 OG SER A 44 -10.959 3.813 -15.318 1.00 45.33 O ATOM 0 H SER A 44 -11.713 2.904 -13.139 1.00 40.41 H new ATOM 0 HA SER A 44 -9.534 1.656 -14.434 1.00 3.15 H new ATOM 0 HB2 SER A 44 -9.956 4.589 -13.692 1.00 30.21 H new ATOM 0 HB3 SER A 44 -8.932 3.980 -14.977 1.00 30.21 H new ATOM 0 HG SER A 44 -11.787 3.937 -14.809 1.00 45.33 H new ATOM 658 N PHE A 45 -8.940 2.839 -11.455 1.00 12.22 N ATOM 659 CA PHE A 45 -7.926 2.943 -10.422 1.00 13.32 C ATOM 660 C PHE A 45 -7.536 1.555 -9.924 1.00 51.34 C ATOM 661 O PHE A 45 -6.370 1.285 -9.655 1.00 62.44 O ATOM 662 CB PHE A 45 -8.431 3.806 -9.264 1.00 32.14 C ATOM 663 CG PHE A 45 -7.347 4.252 -8.324 1.00 72.42 C ATOM 664 CD1 PHE A 45 -6.485 5.277 -8.679 1.00 60.21 C ATOM 665 CD2 PHE A 45 -7.191 3.654 -7.085 1.00 64.34 C ATOM 666 CE1 PHE A 45 -5.488 5.696 -7.819 1.00 15.25 C ATOM 667 CE2 PHE A 45 -6.195 4.068 -6.220 1.00 63.55 C ATOM 668 CZ PHE A 45 -5.344 5.090 -6.588 1.00 43.25 C ATOM 0 H PHE A 45 -9.884 3.077 -11.151 1.00 12.22 H new ATOM 0 HA PHE A 45 -7.043 3.420 -10.847 1.00 13.32 H new ATOM 0 HB2 PHE A 45 -8.932 4.685 -9.670 1.00 32.14 H new ATOM 0 HB3 PHE A 45 -9.178 3.244 -8.703 1.00 32.14 H new ATOM 0 HD1 PHE A 45 -6.594 5.755 -9.641 1.00 60.21 H new ATOM 0 HD2 PHE A 45 -7.855 2.855 -6.791 1.00 64.34 H new ATOM 0 HE1 PHE A 45 -4.823 6.496 -8.110 1.00 15.25 H new ATOM 0 HE2 PHE A 45 -6.083 3.592 -5.257 1.00 63.55 H new ATOM 0 HZ PHE A 45 -4.566 5.415 -5.913 1.00 43.25 H new ATOM 678 N MET A 46 -8.520 0.670 -9.835 1.00 71.11 N ATOM 679 CA MET A 46 -8.294 -0.690 -9.353 1.00 52.45 C ATOM 680 C MET A 46 -7.374 -1.464 -10.299 1.00 43.20 C ATOM 681 O MET A 46 -6.668 -2.380 -9.882 1.00 4.13 O ATOM 682 CB MET A 46 -9.634 -1.419 -9.200 1.00 64.03 C ATOM 683 CG MET A 46 -9.511 -2.860 -8.722 1.00 10.41 C ATOM 684 SD MET A 46 -8.667 -3.005 -7.134 1.00 5.02 S ATOM 685 CE MET A 46 -9.722 -1.998 -6.097 1.00 34.32 C ATOM 0 H MET A 46 -9.487 0.869 -10.091 1.00 71.11 H new ATOM 0 HA MET A 46 -7.804 -0.632 -8.381 1.00 52.45 H new ATOM 0 HB2 MET A 46 -10.257 -0.867 -8.496 1.00 64.03 H new ATOM 0 HB3 MET A 46 -10.151 -1.409 -10.159 1.00 64.03 H new ATOM 0 HG2 MET A 46 -10.507 -3.296 -8.639 1.00 10.41 H new ATOM 0 HG3 MET A 46 -8.970 -3.440 -9.469 1.00 10.41 H new ATOM 0 HE1 MET A 46 -9.185 -1.724 -5.189 1.00 34.32 H new ATOM 0 HE2 MET A 46 -10.008 -1.095 -6.637 1.00 34.32 H new ATOM 0 HE3 MET A 46 -10.617 -2.561 -5.833 1.00 34.32 H new ATOM 695 N THR A 47 -7.367 -1.072 -11.567 1.00 2.34 N ATOM 696 CA THR A 47 -6.582 -1.764 -12.584 1.00 70.43 C ATOM 697 C THR A 47 -5.090 -1.758 -12.246 1.00 24.54 C ATOM 698 O THR A 47 -4.434 -2.801 -12.272 1.00 55.44 O ATOM 699 CB THR A 47 -6.805 -1.111 -13.959 1.00 24.51 C ATOM 700 OG1 THR A 47 -8.204 -0.862 -14.135 1.00 21.24 O ATOM 701 CG2 THR A 47 -6.300 -2.006 -15.080 1.00 4.43 C ATOM 0 H THR A 47 -7.898 -0.275 -11.918 1.00 2.34 H new ATOM 0 HA THR A 47 -6.918 -2.801 -12.612 1.00 70.43 H new ATOM 0 HB THR A 47 -6.247 -0.175 -13.997 1.00 24.51 H new ATOM 0 HG1 THR A 47 -8.355 -0.444 -15.009 1.00 21.24 H new ATOM 0 HG21 THR A 47 -6.471 -1.519 -16.040 1.00 4.43 H new ATOM 0 HG22 THR A 47 -5.233 -2.186 -14.949 1.00 4.43 H new ATOM 0 HG23 THR A 47 -6.834 -2.956 -15.055 1.00 4.43 H new ATOM 709 N LYS A 48 -4.567 -0.589 -11.902 1.00 5.31 N ATOM 710 CA LYS A 48 -3.156 -0.463 -11.561 1.00 32.13 C ATOM 711 C LYS A 48 -2.869 -1.081 -10.196 1.00 42.41 C ATOM 712 O LYS A 48 -1.765 -1.559 -9.940 1.00 31.40 O ATOM 713 CB LYS A 48 -2.724 1.000 -11.606 1.00 71.11 C ATOM 714 CG LYS A 48 -3.580 1.920 -10.764 1.00 74.41 C ATOM 715 CD LYS A 48 -3.302 3.374 -11.091 1.00 21.14 C ATOM 716 CE LYS A 48 -1.881 3.780 -10.738 1.00 72.24 C ATOM 717 NZ LYS A 48 -1.573 5.161 -11.200 1.00 64.41 N ATOM 0 H LYS A 48 -5.095 0.282 -11.852 1.00 5.31 H new ATOM 0 HA LYS A 48 -2.573 -1.011 -12.301 1.00 32.13 H new ATOM 0 HB2 LYS A 48 -1.690 1.073 -11.269 1.00 71.11 H new ATOM 0 HB3 LYS A 48 -2.748 1.344 -12.640 1.00 71.11 H new ATOM 0 HG2 LYS A 48 -4.634 1.700 -10.936 1.00 74.41 H new ATOM 0 HG3 LYS A 48 -3.385 1.738 -9.707 1.00 74.41 H new ATOM 0 HD2 LYS A 48 -3.473 3.545 -12.154 1.00 21.14 H new ATOM 0 HD3 LYS A 48 -4.004 4.007 -10.549 1.00 21.14 H new ATOM 0 HE2 LYS A 48 -1.742 3.718 -9.659 1.00 72.24 H new ATOM 0 HE3 LYS A 48 -1.179 3.080 -11.191 1.00 72.24 H new ATOM 0 HZ1 LYS A 48 -0.595 5.403 -10.942 1.00 64.41 H new ATOM 0 HZ2 LYS A 48 -1.682 5.214 -12.233 1.00 64.41 H new ATOM 0 HZ3 LYS A 48 -2.227 5.832 -10.749 1.00 64.41 H new ATOM 731 N LEU A 49 -3.877 -1.078 -9.331 1.00 72.12 N ATOM 732 CA LEU A 49 -3.770 -1.711 -8.020 1.00 32.54 C ATOM 733 C LEU A 49 -3.537 -3.212 -8.164 1.00 74.35 C ATOM 734 O LEU A 49 -2.753 -3.796 -7.420 1.00 34.33 O ATOM 735 CB LEU A 49 -5.036 -1.450 -7.191 1.00 33.35 C ATOM 736 CG LEU A 49 -5.027 -0.186 -6.318 1.00 44.41 C ATOM 737 CD1 LEU A 49 -4.113 -0.371 -5.120 1.00 50.10 C ATOM 738 CD2 LEU A 49 -4.601 1.034 -7.120 1.00 62.41 C ATOM 0 H LEU A 49 -4.781 -0.643 -9.514 1.00 72.12 H new ATOM 0 HA LEU A 49 -2.916 -1.275 -7.501 1.00 32.54 H new ATOM 0 HB2 LEU A 49 -5.885 -1.390 -7.872 1.00 33.35 H new ATOM 0 HB3 LEU A 49 -5.206 -2.311 -6.545 1.00 33.35 H new ATOM 0 HG LEU A 49 -6.044 -0.021 -5.962 1.00 44.41 H new ATOM 0 HD11 LEU A 49 -4.120 0.535 -4.514 1.00 50.10 H new ATOM 0 HD12 LEU A 49 -4.464 -1.211 -4.521 1.00 50.10 H new ATOM 0 HD13 LEU A 49 -3.098 -0.570 -5.464 1.00 50.10 H new ATOM 0 HD21 LEU A 49 -4.604 1.913 -6.475 1.00 62.41 H new ATOM 0 HD22 LEU A 49 -3.597 0.878 -7.515 1.00 62.41 H new ATOM 0 HD23 LEU A 49 -5.296 1.187 -7.946 1.00 62.41 H new ATOM 750 N LYS A 50 -4.214 -3.826 -9.132 1.00 73.01 N ATOM 751 CA LYS A 50 -4.051 -5.243 -9.408 1.00 24.11 C ATOM 752 C LYS A 50 -2.606 -5.575 -9.768 1.00 4.11 C ATOM 753 O LYS A 50 -2.023 -6.519 -9.228 1.00 65.40 O ATOM 754 CB LYS A 50 -4.987 -5.621 -10.543 1.00 33.41 C ATOM 755 CG LYS A 50 -6.450 -5.495 -10.172 1.00 71.41 C ATOM 756 CD LYS A 50 -7.307 -5.416 -11.412 1.00 62.12 C ATOM 757 CE LYS A 50 -8.686 -6.011 -11.179 1.00 31.13 C ATOM 758 NZ LYS A 50 -9.456 -6.138 -12.443 1.00 12.10 N ATOM 0 H LYS A 50 -4.885 -3.356 -9.740 1.00 73.01 H new ATOM 0 HA LYS A 50 -4.297 -5.816 -8.514 1.00 24.11 H new ATOM 0 HB2 LYS A 50 -4.780 -4.985 -11.404 1.00 33.41 H new ATOM 0 HB3 LYS A 50 -4.783 -6.647 -10.848 1.00 33.41 H new ATOM 0 HG2 LYS A 50 -6.753 -6.350 -9.568 1.00 71.41 H new ATOM 0 HG3 LYS A 50 -6.601 -4.605 -9.562 1.00 71.41 H new ATOM 0 HD2 LYS A 50 -7.407 -4.375 -11.720 1.00 62.12 H new ATOM 0 HD3 LYS A 50 -6.815 -5.945 -12.229 1.00 62.12 H new ATOM 0 HE2 LYS A 50 -8.584 -6.992 -10.716 1.00 31.13 H new ATOM 0 HE3 LYS A 50 -9.238 -5.384 -10.479 1.00 31.13 H new ATOM 0 HZ1 LYS A 50 -10.390 -6.548 -12.241 1.00 12.10 H new ATOM 0 HZ2 LYS A 50 -9.576 -5.198 -12.873 1.00 12.10 H new ATOM 0 HZ3 LYS A 50 -8.942 -6.757 -13.102 1.00 12.10 H new ATOM 772 N GLU A 51 -2.028 -4.783 -10.669 1.00 41.13 N ATOM 773 CA GLU A 51 -0.637 -4.965 -11.074 1.00 14.41 C ATOM 774 C GLU A 51 0.297 -4.838 -9.882 1.00 4.14 C ATOM 775 O GLU A 51 1.199 -5.656 -9.692 1.00 4.24 O ATOM 776 CB GLU A 51 -0.248 -3.944 -12.136 1.00 61.53 C ATOM 777 CG GLU A 51 -0.793 -4.280 -13.508 1.00 63.33 C ATOM 778 CD GLU A 51 -0.058 -5.444 -14.137 1.00 31.23 C ATOM 779 OE1 GLU A 51 1.075 -5.246 -14.630 1.00 44.01 O ATOM 780 OE2 GLU A 51 -0.599 -6.568 -14.125 1.00 25.21 O ATOM 0 H GLU A 51 -2.503 -4.008 -11.133 1.00 41.13 H new ATOM 0 HA GLU A 51 -0.543 -5.968 -11.490 1.00 14.41 H new ATOM 0 HB2 GLU A 51 -0.612 -2.961 -11.837 1.00 61.53 H new ATOM 0 HB3 GLU A 51 0.839 -3.879 -12.189 1.00 61.53 H new ATOM 0 HG2 GLU A 51 -1.853 -4.520 -13.429 1.00 63.33 H new ATOM 0 HG3 GLU A 51 -0.711 -3.407 -14.155 1.00 63.33 H new ATOM 787 N LEU A 52 0.063 -3.812 -9.081 1.00 35.24 N ATOM 788 CA LEU A 52 0.876 -3.552 -7.904 1.00 70.12 C ATOM 789 C LEU A 52 0.735 -4.672 -6.878 1.00 1.31 C ATOM 790 O LEU A 52 1.718 -5.088 -6.265 1.00 0.34 O ATOM 791 CB LEU A 52 0.483 -2.206 -7.295 1.00 74.41 C ATOM 792 CG LEU A 52 0.826 -0.989 -8.157 1.00 13.22 C ATOM 793 CD1 LEU A 52 0.251 0.280 -7.552 1.00 11.13 C ATOM 794 CD2 LEU A 52 2.334 -0.861 -8.321 1.00 53.30 C ATOM 0 H LEU A 52 -0.690 -3.140 -9.226 1.00 35.24 H new ATOM 0 HA LEU A 52 1.923 -3.514 -8.205 1.00 70.12 H new ATOM 0 HB2 LEU A 52 -0.590 -2.208 -7.105 1.00 74.41 H new ATOM 0 HB3 LEU A 52 0.978 -2.101 -6.329 1.00 74.41 H new ATOM 0 HG LEU A 52 0.379 -1.132 -9.141 1.00 13.22 H new ATOM 0 HD11 LEU A 52 0.507 1.132 -8.182 1.00 11.13 H new ATOM 0 HD12 LEU A 52 -0.833 0.192 -7.485 1.00 11.13 H new ATOM 0 HD13 LEU A 52 0.666 0.428 -6.555 1.00 11.13 H new ATOM 0 HD21 LEU A 52 2.560 0.010 -8.937 1.00 53.30 H new ATOM 0 HD22 LEU A 52 2.798 -0.743 -7.342 1.00 53.30 H new ATOM 0 HD23 LEU A 52 2.725 -1.757 -8.802 1.00 53.30 H new ATOM 806 N ALA A 53 -0.482 -5.171 -6.706 1.00 35.53 N ATOM 807 CA ALA A 53 -0.742 -6.247 -5.757 1.00 71.14 C ATOM 808 C ALA A 53 -0.035 -7.530 -6.179 1.00 5.50 C ATOM 809 O ALA A 53 0.519 -8.246 -5.345 1.00 23.34 O ATOM 810 CB ALA A 53 -2.238 -6.488 -5.622 1.00 12.20 C ATOM 0 H ALA A 53 -1.306 -4.848 -7.212 1.00 35.53 H new ATOM 0 HA ALA A 53 -0.347 -5.944 -4.787 1.00 71.14 H new ATOM 0 HB1 ALA A 53 -2.414 -7.294 -4.910 1.00 12.20 H new ATOM 0 HB2 ALA A 53 -2.723 -5.578 -5.267 1.00 12.20 H new ATOM 0 HB3 ALA A 53 -2.651 -6.764 -6.592 1.00 12.20 H new ATOM 816 N ALA A 54 -0.046 -7.804 -7.478 1.00 50.15 N ATOM 817 CA ALA A 54 0.581 -9.005 -8.020 1.00 42.03 C ATOM 818 C ALA A 54 2.095 -8.967 -7.846 1.00 52.02 C ATOM 819 O ALA A 54 2.738 -10.005 -7.694 1.00 42.14 O ATOM 820 CB ALA A 54 0.218 -9.171 -9.487 1.00 53.13 C ATOM 0 H ALA A 54 -0.485 -7.208 -8.180 1.00 50.15 H new ATOM 0 HA ALA A 54 0.204 -9.863 -7.463 1.00 42.03 H new ATOM 0 HB1 ALA A 54 0.692 -10.071 -9.880 1.00 53.13 H new ATOM 0 HB2 ALA A 54 -0.864 -9.258 -9.587 1.00 53.13 H new ATOM 0 HB3 ALA A 54 0.565 -8.304 -10.048 1.00 53.13 H new ATOM 826 N ALA A 55 2.661 -7.769 -7.866 1.00 12.44 N ATOM 827 CA ALA A 55 4.102 -7.607 -7.713 1.00 50.35 C ATOM 828 C ALA A 55 4.502 -7.577 -6.240 1.00 50.52 C ATOM 829 O ALA A 55 5.616 -7.966 -5.880 1.00 71.13 O ATOM 830 CB ALA A 55 4.567 -6.337 -8.416 1.00 11.22 C ATOM 0 H ALA A 55 2.147 -6.896 -7.986 1.00 12.44 H new ATOM 0 HA ALA A 55 4.590 -8.466 -8.175 1.00 50.35 H new ATOM 0 HB1 ALA A 55 5.645 -6.228 -8.294 1.00 11.22 H new ATOM 0 HB2 ALA A 55 4.326 -6.400 -9.477 1.00 11.22 H new ATOM 0 HB3 ALA A 55 4.063 -5.474 -7.980 1.00 11.22 H new ATOM 836 N ALA A 56 3.590 -7.113 -5.392 1.00 44.04 N ATOM 837 CA ALA A 56 3.864 -6.987 -3.966 1.00 21.11 C ATOM 838 C ALA A 56 3.722 -8.320 -3.240 1.00 33.21 C ATOM 839 O ALA A 56 4.555 -8.671 -2.402 1.00 52.10 O ATOM 840 CB ALA A 56 2.947 -5.949 -3.340 1.00 31.31 C ATOM 0 H ALA A 56 2.654 -6.818 -5.669 1.00 44.04 H new ATOM 0 HA ALA A 56 4.899 -6.662 -3.860 1.00 21.11 H new ATOM 0 HB1 ALA A 56 3.164 -5.867 -2.275 1.00 31.31 H new ATOM 0 HB2 ALA A 56 3.110 -4.984 -3.819 1.00 31.31 H new ATOM 0 HB3 ALA A 56 1.909 -6.251 -3.476 1.00 31.31 H new ATOM 846 N SER A 57 2.677 -9.068 -3.568 1.00 54.15 N ATOM 847 CA SER A 57 2.413 -10.332 -2.902 1.00 43.13 C ATOM 848 C SER A 57 3.411 -11.398 -3.345 1.00 50.14 C ATOM 849 O SER A 57 3.652 -11.590 -4.535 1.00 1.13 O ATOM 850 CB SER A 57 0.976 -10.790 -3.171 1.00 60.21 C ATOM 851 OG SER A 57 0.694 -10.824 -4.560 1.00 50.22 O ATOM 0 H SER A 57 2.001 -8.820 -4.290 1.00 54.15 H new ATOM 0 HA SER A 57 2.532 -10.184 -1.829 1.00 43.13 H new ATOM 0 HB2 SER A 57 0.822 -11.781 -2.743 1.00 60.21 H new ATOM 0 HB3 SER A 57 0.279 -10.116 -2.673 1.00 60.21 H new ATOM 0 HG SER A 57 0.507 -9.916 -4.878 1.00 50.22 H new ATOM 857 N SER A 58 3.996 -12.076 -2.376 1.00 43.33 N ATOM 858 CA SER A 58 4.948 -13.140 -2.649 1.00 43.15 C ATOM 859 C SER A 58 4.316 -14.496 -2.356 1.00 44.21 C ATOM 860 O SER A 58 5.002 -15.505 -2.205 1.00 22.21 O ATOM 861 CB SER A 58 6.199 -12.944 -1.800 1.00 72.43 C ATOM 862 OG SER A 58 6.770 -11.665 -2.028 1.00 43.24 O ATOM 0 H SER A 58 3.828 -11.908 -1.384 1.00 43.33 H new ATOM 0 HA SER A 58 5.228 -13.107 -3.702 1.00 43.15 H new ATOM 0 HB2 SER A 58 5.948 -13.052 -0.745 1.00 72.43 H new ATOM 0 HB3 SER A 58 6.928 -13.719 -2.035 1.00 72.43 H new ATOM 0 HG SER A 58 7.570 -11.560 -1.472 1.00 43.24 H new ATOM 868 N ALA A 59 2.993 -14.506 -2.301 1.00 0.14 N ATOM 869 CA ALA A 59 2.237 -15.712 -1.987 1.00 52.20 C ATOM 870 C ALA A 59 2.011 -16.575 -3.229 1.00 2.40 C ATOM 871 O ALA A 59 1.245 -17.539 -3.188 1.00 20.41 O ATOM 872 CB ALA A 59 0.909 -15.340 -1.346 1.00 1.54 C ATOM 0 H ALA A 59 2.414 -13.684 -2.472 1.00 0.14 H new ATOM 0 HA ALA A 59 2.822 -16.303 -1.282 1.00 52.20 H new ATOM 0 HB1 ALA A 59 0.350 -16.247 -1.114 1.00 1.54 H new ATOM 0 HB2 ALA A 59 1.092 -14.782 -0.428 1.00 1.54 H new ATOM 0 HB3 ALA A 59 0.332 -14.724 -2.036 1.00 1.54 H new ATOM 878 N ASP A 60 2.674 -16.199 -4.327 1.00 12.30 N ATOM 879 CA ASP A 60 2.669 -16.968 -5.582 1.00 0.21 C ATOM 880 C ASP A 60 1.319 -16.925 -6.290 1.00 53.13 C ATOM 881 O ASP A 60 1.178 -16.285 -7.332 1.00 14.54 O ATOM 882 CB ASP A 60 3.091 -18.424 -5.350 1.00 33.44 C ATOM 883 CG ASP A 60 4.561 -18.560 -5.017 1.00 23.31 C ATOM 884 OD1 ASP A 60 5.402 -18.190 -5.863 1.00 23.34 O ATOM 885 OD2 ASP A 60 4.885 -19.047 -3.915 1.00 61.00 O ATOM 0 H ASP A 60 3.234 -15.348 -4.373 1.00 12.30 H new ATOM 0 HA ASP A 60 3.400 -16.488 -6.232 1.00 0.21 H new ATOM 0 HB2 ASP A 60 2.498 -18.845 -4.538 1.00 33.44 H new ATOM 0 HB3 ASP A 60 2.869 -19.009 -6.243 1.00 33.44 H new ATOM 890 N GLU A 61 0.334 -17.610 -5.727 1.00 52.44 N ATOM 891 CA GLU A 61 -0.984 -17.707 -6.345 1.00 75.41 C ATOM 892 C GLU A 61 -1.678 -16.348 -6.370 1.00 31.22 C ATOM 893 O GLU A 61 -2.408 -16.026 -7.313 1.00 65.13 O ATOM 894 CB GLU A 61 -1.849 -18.727 -5.602 1.00 62.44 C ATOM 895 CG GLU A 61 -1.276 -20.134 -5.619 1.00 22.30 C ATOM 896 CD GLU A 61 -2.143 -21.125 -4.872 1.00 33.00 C ATOM 897 OE1 GLU A 61 -3.081 -21.681 -5.478 1.00 20.24 O ATOM 898 OE2 GLU A 61 -1.896 -21.353 -3.670 1.00 34.14 O ATOM 0 H GLU A 61 0.421 -18.108 -4.841 1.00 52.44 H new ATOM 0 HA GLU A 61 -0.850 -18.041 -7.374 1.00 75.41 H new ATOM 0 HB2 GLU A 61 -1.969 -18.405 -4.568 1.00 62.44 H new ATOM 0 HB3 GLU A 61 -2.843 -18.743 -6.049 1.00 62.44 H new ATOM 0 HG2 GLU A 61 -1.162 -20.463 -6.652 1.00 22.30 H new ATOM 0 HG3 GLU A 61 -0.280 -20.122 -5.176 1.00 22.30 H new ATOM 905 N GLY A 62 -1.442 -15.552 -5.339 1.00 30.31 N ATOM 906 CA GLY A 62 -2.033 -14.236 -5.268 1.00 55.40 C ATOM 907 C GLY A 62 -2.335 -13.834 -3.847 1.00 2.11 C ATOM 908 O GLY A 62 -1.680 -14.299 -2.916 1.00 32.35 O ATOM 0 H GLY A 62 -0.848 -15.797 -4.547 1.00 30.31 H new ATOM 0 HA2 GLY A 62 -1.356 -13.509 -5.715 1.00 55.40 H new ATOM 0 HA3 GLY A 62 -2.952 -14.218 -5.854 1.00 55.40 H new ATOM 912 N ALA A 63 -3.327 -12.978 -3.676 1.00 13.15 N ATOM 913 CA ALA A 63 -3.724 -12.514 -2.359 1.00 4.20 C ATOM 914 C ALA A 63 -5.221 -12.267 -2.330 1.00 22.22 C ATOM 915 O ALA A 63 -5.839 -12.062 -3.377 1.00 54.14 O ATOM 916 CB ALA A 63 -2.966 -11.247 -1.988 1.00 33.24 C ATOM 0 H ALA A 63 -3.877 -12.587 -4.441 1.00 13.15 H new ATOM 0 HA ALA A 63 -3.479 -13.283 -1.626 1.00 4.20 H new ATOM 0 HB1 ALA A 63 -3.277 -10.914 -0.998 1.00 33.24 H new ATOM 0 HB2 ALA A 63 -1.895 -11.452 -1.983 1.00 33.24 H new ATOM 0 HB3 ALA A 63 -3.182 -10.467 -2.718 1.00 33.24 H new ATOM 922 N SER A 64 -5.800 -12.295 -1.141 1.00 42.34 N ATOM 923 CA SER A 64 -7.219 -12.049 -0.980 1.00 22.42 C ATOM 924 C SER A 64 -7.526 -10.571 -1.160 1.00 44.45 C ATOM 925 O SER A 64 -7.205 -9.754 -0.300 1.00 33.32 O ATOM 926 CB SER A 64 -7.671 -12.505 0.402 1.00 30.04 C ATOM 927 OG SER A 64 -7.468 -13.899 0.575 1.00 63.15 O ATOM 0 H SER A 64 -5.304 -12.487 -0.271 1.00 42.34 H new ATOM 0 HA SER A 64 -7.758 -12.614 -1.740 1.00 22.42 H new ATOM 0 HB2 SER A 64 -7.120 -11.957 1.167 1.00 30.04 H new ATOM 0 HB3 SER A 64 -8.726 -12.269 0.539 1.00 30.04 H new ATOM 0 HG SER A 64 -7.765 -14.164 1.471 1.00 63.15 H new ATOM 933 N VAL A 65 -8.130 -10.224 -2.279 1.00 70.11 N ATOM 934 CA VAL A 65 -8.481 -8.842 -2.537 1.00 53.21 C ATOM 935 C VAL A 65 -9.996 -8.674 -2.628 1.00 63.11 C ATOM 936 O VAL A 65 -10.652 -9.233 -3.508 1.00 30.04 O ATOM 937 CB VAL A 65 -7.790 -8.302 -3.816 1.00 50.11 C ATOM 938 CG1 VAL A 65 -8.049 -9.205 -5.016 1.00 21.40 C ATOM 939 CG2 VAL A 65 -8.243 -6.879 -4.108 1.00 34.23 C ATOM 0 H VAL A 65 -8.387 -10.876 -3.020 1.00 70.11 H new ATOM 0 HA VAL A 65 -8.118 -8.252 -1.696 1.00 53.21 H new ATOM 0 HB VAL A 65 -6.715 -8.295 -3.634 1.00 50.11 H new ATOM 0 HG11 VAL A 65 -7.550 -8.795 -5.894 1.00 21.40 H new ATOM 0 HG12 VAL A 65 -7.662 -10.203 -4.811 1.00 21.40 H new ATOM 0 HG13 VAL A 65 -9.121 -9.263 -5.203 1.00 21.40 H new ATOM 0 HG21 VAL A 65 -7.748 -6.517 -5.009 1.00 34.23 H new ATOM 0 HG22 VAL A 65 -9.323 -6.864 -4.257 1.00 34.23 H new ATOM 0 HG23 VAL A 65 -7.984 -6.235 -3.268 1.00 34.23 H new ATOM 949 N ALA A 66 -10.547 -7.920 -1.695 1.00 61.22 N ATOM 950 CA ALA A 66 -11.962 -7.603 -1.712 1.00 12.54 C ATOM 951 C ALA A 66 -12.167 -6.208 -2.279 1.00 4.44 C ATOM 952 O ALA A 66 -12.013 -5.213 -1.572 1.00 33.11 O ATOM 953 CB ALA A 66 -12.552 -7.710 -0.315 1.00 33.23 C ATOM 0 H ALA A 66 -10.033 -7.514 -0.913 1.00 61.22 H new ATOM 0 HA ALA A 66 -12.479 -8.321 -2.349 1.00 12.54 H new ATOM 0 HB1 ALA A 66 -13.614 -7.468 -0.349 1.00 33.23 H new ATOM 0 HB2 ALA A 66 -12.423 -8.726 0.058 1.00 33.23 H new ATOM 0 HB3 ALA A 66 -12.042 -7.012 0.350 1.00 33.23 H new ATOM 959 N TYR A 67 -12.472 -6.141 -3.565 1.00 12.32 N ATOM 960 CA TYR A 67 -12.662 -4.869 -4.243 1.00 3.41 C ATOM 961 C TYR A 67 -14.139 -4.533 -4.374 1.00 62.54 C ATOM 962 O TYR A 67 -14.915 -5.285 -4.967 1.00 54.01 O ATOM 963 CB TYR A 67 -11.979 -4.880 -5.620 1.00 63.21 C ATOM 964 CG TYR A 67 -12.085 -6.196 -6.371 1.00 22.25 C ATOM 965 CD1 TYR A 67 -13.184 -6.488 -7.172 1.00 65.43 C ATOM 966 CD2 TYR A 67 -11.074 -7.142 -6.280 1.00 11.41 C ATOM 967 CE1 TYR A 67 -13.270 -7.688 -7.855 1.00 25.43 C ATOM 968 CE2 TYR A 67 -11.152 -8.342 -6.958 1.00 22.34 C ATOM 969 CZ TYR A 67 -12.250 -8.612 -7.744 1.00 71.04 C ATOM 970 OH TYR A 67 -12.327 -9.811 -8.419 1.00 74.21 O ATOM 0 H TYR A 67 -12.594 -6.958 -4.163 1.00 12.32 H new ATOM 0 HA TYR A 67 -12.196 -4.092 -3.637 1.00 3.41 H new ATOM 0 HB2 TYR A 67 -12.415 -4.091 -6.233 1.00 63.21 H new ATOM 0 HB3 TYR A 67 -10.925 -4.636 -5.489 1.00 63.21 H new ATOM 0 HD1 TYR A 67 -13.983 -5.767 -7.262 1.00 65.43 H new ATOM 0 HD2 TYR A 67 -10.209 -6.936 -5.667 1.00 11.41 H new ATOM 0 HE1 TYR A 67 -14.131 -7.901 -8.472 1.00 25.43 H new ATOM 0 HE2 TYR A 67 -10.355 -9.066 -6.872 1.00 22.34 H new ATOM 0 HH TYR A 67 -11.526 -10.344 -8.232 1.00 74.21 H new ATOM 980 N LYS A 68 -14.525 -3.408 -3.794 1.00 2.23 N ATOM 981 CA LYS A 68 -15.892 -2.936 -3.878 1.00 71.42 C ATOM 982 C LYS A 68 -15.931 -1.498 -4.354 1.00 74.42 C ATOM 983 O LYS A 68 -15.019 -0.711 -4.095 1.00 41.45 O ATOM 984 CB LYS A 68 -16.594 -3.051 -2.527 1.00 1.43 C ATOM 985 CG LYS A 68 -16.950 -4.471 -2.151 1.00 14.12 C ATOM 986 CD LYS A 68 -17.545 -4.536 -0.755 1.00 4.33 C ATOM 987 CE LYS A 68 -17.996 -5.942 -0.403 1.00 53.54 C ATOM 988 NZ LYS A 68 -18.601 -6.000 0.952 1.00 32.15 N ATOM 0 H LYS A 68 -13.904 -2.803 -3.257 1.00 2.23 H new ATOM 0 HA LYS A 68 -16.417 -3.564 -4.598 1.00 71.42 H new ATOM 0 HB2 LYS A 68 -15.950 -2.630 -1.755 1.00 1.43 H new ATOM 0 HB3 LYS A 68 -17.503 -2.450 -2.547 1.00 1.43 H new ATOM 0 HG2 LYS A 68 -17.662 -4.873 -2.872 1.00 14.12 H new ATOM 0 HG3 LYS A 68 -16.059 -5.097 -2.199 1.00 14.12 H new ATOM 0 HD2 LYS A 68 -16.806 -4.198 -0.028 1.00 4.33 H new ATOM 0 HD3 LYS A 68 -18.393 -3.854 -0.688 1.00 4.33 H new ATOM 0 HE2 LYS A 68 -18.721 -6.287 -1.140 1.00 53.54 H new ATOM 0 HE3 LYS A 68 -17.144 -6.620 -0.451 1.00 53.54 H new ATOM 0 HZ1 LYS A 68 -18.897 -6.975 1.158 1.00 32.15 H new ATOM 0 HZ2 LYS A 68 -17.901 -5.694 1.658 1.00 32.15 H new ATOM 0 HZ3 LYS A 68 -19.429 -5.371 0.990 1.00 32.15 H new ATOM 1002 N ILE A 69 -16.991 -1.173 -5.063 1.00 33.33 N ATOM 1003 CA ILE A 69 -17.209 0.176 -5.553 1.00 20.31 C ATOM 1004 C ILE A 69 -18.630 0.598 -5.230 1.00 22.54 C ATOM 1005 O ILE A 69 -19.580 0.123 -5.857 1.00 22.21 O ATOM 1006 CB ILE A 69 -16.994 0.279 -7.079 1.00 55.25 C ATOM 1007 CG1 ILE A 69 -15.607 -0.243 -7.464 1.00 41.20 C ATOM 1008 CG2 ILE A 69 -17.165 1.721 -7.539 1.00 51.15 C ATOM 1009 CD1 ILE A 69 -15.355 -0.260 -8.957 1.00 10.22 C ATOM 0 H ILE A 69 -17.726 -1.833 -5.317 1.00 33.33 H new ATOM 0 HA ILE A 69 -16.486 0.829 -5.064 1.00 20.31 H new ATOM 0 HB ILE A 69 -17.743 -0.338 -7.576 1.00 55.25 H new ATOM 0 HG12 ILE A 69 -14.849 0.376 -6.984 1.00 41.20 H new ATOM 0 HG13 ILE A 69 -15.487 -1.253 -7.073 1.00 41.20 H new ATOM 0 HG21 ILE A 69 -17.011 1.780 -8.616 1.00 51.15 H new ATOM 0 HG22 ILE A 69 -18.171 2.063 -7.297 1.00 51.15 H new ATOM 0 HG23 ILE A 69 -16.435 2.353 -7.033 1.00 51.15 H new ATOM 0 HD11 ILE A 69 -14.353 -0.642 -9.153 1.00 10.22 H new ATOM 0 HD12 ILE A 69 -16.089 -0.903 -9.443 1.00 10.22 H new ATOM 0 HD13 ILE A 69 -15.441 0.752 -9.352 1.00 10.22 H new ATOM 1021 N LYS A 70 -18.792 1.460 -4.242 1.00 40.23 N ATOM 1022 CA LYS A 70 -20.124 1.892 -3.865 1.00 75.52 C ATOM 1023 C LYS A 70 -20.555 3.076 -4.705 1.00 43.44 C ATOM 1024 O LYS A 70 -19.959 4.154 -4.656 1.00 73.34 O ATOM 1025 CB LYS A 70 -20.217 2.228 -2.378 1.00 23.14 C ATOM 1026 CG LYS A 70 -21.638 2.534 -1.917 1.00 2.35 C ATOM 1027 CD LYS A 70 -22.606 1.431 -2.327 1.00 52.23 C ATOM 1028 CE LYS A 70 -24.046 1.768 -1.963 1.00 33.41 C ATOM 1029 NZ LYS A 70 -24.289 1.675 -0.498 1.00 74.41 N ATOM 0 H LYS A 70 -18.033 1.868 -3.696 1.00 40.23 H new ATOM 0 HA LYS A 70 -20.802 1.059 -4.053 1.00 75.52 H new ATOM 0 HB2 LYS A 70 -19.827 1.392 -1.798 1.00 23.14 H new ATOM 0 HB3 LYS A 70 -19.581 3.087 -2.166 1.00 23.14 H new ATOM 0 HG2 LYS A 70 -21.653 2.649 -0.833 1.00 2.35 H new ATOM 0 HG3 LYS A 70 -21.964 3.483 -2.343 1.00 2.35 H new ATOM 0 HD2 LYS A 70 -22.533 1.267 -3.402 1.00 52.23 H new ATOM 0 HD3 LYS A 70 -22.319 0.498 -1.842 1.00 52.23 H new ATOM 0 HE2 LYS A 70 -24.280 2.776 -2.306 1.00 33.41 H new ATOM 0 HE3 LYS A 70 -24.720 1.089 -2.486 1.00 33.41 H new ATOM 0 HZ1 LYS A 70 -25.281 1.912 -0.295 1.00 74.41 H new ATOM 0 HZ2 LYS A 70 -24.091 0.707 -0.174 1.00 74.41 H new ATOM 0 HZ3 LYS A 70 -23.665 2.341 0.000 1.00 74.41 H new ATOM 1043 N ASP A 71 -21.591 2.841 -5.478 1.00 0.54 N ATOM 1044 CA ASP A 71 -22.169 3.837 -6.352 1.00 12.20 C ATOM 1045 C ASP A 71 -23.077 4.769 -5.557 1.00 72.53 C ATOM 1046 O ASP A 71 -24.173 4.390 -5.141 1.00 3.01 O ATOM 1047 CB ASP A 71 -22.938 3.142 -7.490 1.00 72.42 C ATOM 1048 CG ASP A 71 -23.877 2.042 -7.009 1.00 41.43 C ATOM 1049 OD1 ASP A 71 -23.433 1.155 -6.245 1.00 31.53 O ATOM 1050 OD2 ASP A 71 -25.055 2.036 -7.418 1.00 31.21 O ATOM 0 H ASP A 71 -22.063 1.938 -5.518 1.00 0.54 H new ATOM 0 HA ASP A 71 -21.376 4.441 -6.793 1.00 12.20 H new ATOM 0 HB2 ASP A 71 -23.515 3.888 -8.036 1.00 72.42 H new ATOM 0 HB3 ASP A 71 -22.223 2.716 -8.193 1.00 72.42 H new ATOM 1055 N LEU A 72 -22.592 5.978 -5.318 1.00 12.13 N ATOM 1056 CA LEU A 72 -23.332 6.968 -4.549 1.00 63.31 C ATOM 1057 C LEU A 72 -23.857 8.058 -5.466 1.00 2.43 C ATOM 1058 O LEU A 72 -23.719 7.971 -6.686 1.00 4.42 O ATOM 1059 CB LEU A 72 -22.433 7.585 -3.473 1.00 34.54 C ATOM 1060 CG LEU A 72 -21.822 6.595 -2.485 1.00 23.14 C ATOM 1061 CD1 LEU A 72 -20.818 7.295 -1.582 1.00 61.43 C ATOM 1062 CD2 LEU A 72 -22.910 5.931 -1.657 1.00 73.51 C ATOM 0 H LEU A 72 -21.682 6.299 -5.648 1.00 12.13 H new ATOM 0 HA LEU A 72 -24.174 6.473 -4.066 1.00 63.31 H new ATOM 0 HB2 LEU A 72 -21.625 8.127 -3.965 1.00 34.54 H new ATOM 0 HB3 LEU A 72 -23.014 8.318 -2.914 1.00 34.54 H new ATOM 0 HG LEU A 72 -21.298 5.823 -3.049 1.00 23.14 H new ATOM 0 HD11 LEU A 72 -20.392 6.574 -0.884 1.00 61.43 H new ATOM 0 HD12 LEU A 72 -20.022 7.726 -2.189 1.00 61.43 H new ATOM 0 HD13 LEU A 72 -21.319 8.087 -1.025 1.00 61.43 H new ATOM 0 HD21 LEU A 72 -22.457 5.228 -0.958 1.00 73.51 H new ATOM 0 HD22 LEU A 72 -23.460 6.691 -1.102 1.00 73.51 H new ATOM 0 HD23 LEU A 72 -23.594 5.397 -2.316 1.00 73.51 H new ATOM 1074 N GLU A 73 -24.454 9.082 -4.878 1.00 13.10 N ATOM 1075 CA GLU A 73 -24.991 10.194 -5.643 1.00 21.42 C ATOM 1076 C GLU A 73 -23.925 11.256 -5.873 1.00 1.04 C ATOM 1077 O GLU A 73 -23.548 11.987 -4.954 1.00 11.12 O ATOM 1078 CB GLU A 73 -26.189 10.797 -4.920 1.00 51.42 C ATOM 1079 CG GLU A 73 -26.911 11.864 -5.717 1.00 42.10 C ATOM 1080 CD GLU A 73 -28.130 12.382 -4.994 1.00 44.14 C ATOM 1081 OE1 GLU A 73 -29.066 11.587 -4.762 1.00 53.54 O ATOM 1082 OE2 GLU A 73 -28.158 13.583 -4.651 1.00 43.13 O ATOM 0 H GLU A 73 -24.579 9.165 -3.869 1.00 13.10 H new ATOM 0 HA GLU A 73 -25.315 9.819 -6.614 1.00 21.42 H new ATOM 0 HB2 GLU A 73 -26.892 10.001 -4.676 1.00 51.42 H new ATOM 0 HB3 GLU A 73 -25.853 11.227 -3.976 1.00 51.42 H new ATOM 0 HG2 GLU A 73 -26.229 12.691 -5.917 1.00 42.10 H new ATOM 0 HG3 GLU A 73 -27.209 11.456 -6.683 1.00 42.10 H new ATOM 1089 N GLY A 74 -23.412 11.304 -7.091 1.00 22.31 N ATOM 1090 CA GLY A 74 -22.466 12.335 -7.459 1.00 74.22 C ATOM 1091 C GLY A 74 -21.030 11.873 -7.351 1.00 43.02 C ATOM 1092 O GLY A 74 -20.133 12.486 -7.926 1.00 34.34 O ATOM 0 H GLY A 74 -23.635 10.644 -7.836 1.00 22.31 H new ATOM 0 HA2 GLY A 74 -22.664 12.656 -8.481 1.00 74.22 H new ATOM 0 HA3 GLY A 74 -22.613 13.204 -6.817 1.00 74.22 H new ATOM 1096 N GLN A 75 -20.809 10.791 -6.622 1.00 64.31 N ATOM 1097 CA GLN A 75 -19.467 10.262 -6.429 1.00 15.12 C ATOM 1098 C GLN A 75 -19.534 8.800 -6.031 1.00 41.44 C ATOM 1099 O GLN A 75 -20.613 8.270 -5.779 1.00 3.35 O ATOM 1100 CB GLN A 75 -18.721 11.064 -5.360 1.00 21.34 C ATOM 1101 CG GLN A 75 -19.391 11.042 -3.992 1.00 22.13 C ATOM 1102 CD GLN A 75 -18.692 11.942 -2.990 1.00 70.11 C ATOM 1103 OE1 GLN A 75 -18.119 12.966 -3.356 1.00 1.30 O ATOM 1104 NE2 GLN A 75 -18.739 11.575 -1.720 1.00 62.24 N ATOM 0 H GLN A 75 -21.543 10.260 -6.153 1.00 64.31 H new ATOM 0 HA GLN A 75 -18.923 10.349 -7.370 1.00 15.12 H new ATOM 0 HB2 GLN A 75 -17.709 10.670 -5.264 1.00 21.34 H new ATOM 0 HB3 GLN A 75 -18.630 12.098 -5.693 1.00 21.34 H new ATOM 0 HG2 GLN A 75 -20.430 11.355 -4.094 1.00 22.13 H new ATOM 0 HG3 GLN A 75 -19.402 10.020 -3.612 1.00 22.13 H new ATOM 0 HE21 GLN A 75 -19.224 10.718 -1.454 1.00 62.24 H new ATOM 0 HE22 GLN A 75 -18.290 12.149 -1.006 1.00 62.24 H new ATOM 1113 N VAL A 76 -18.387 8.149 -5.982 1.00 50.22 N ATOM 1114 CA VAL A 76 -18.323 6.749 -5.585 1.00 52.15 C ATOM 1115 C VAL A 76 -17.190 6.517 -4.600 1.00 72.41 C ATOM 1116 O VAL A 76 -16.295 7.354 -4.458 1.00 73.23 O ATOM 1117 CB VAL A 76 -18.123 5.812 -6.794 1.00 71.55 C ATOM 1118 CG1 VAL A 76 -19.314 5.881 -7.740 1.00 12.43 C ATOM 1119 CG2 VAL A 76 -16.831 6.143 -7.525 1.00 65.25 C ATOM 0 H VAL A 76 -17.484 8.565 -6.212 1.00 50.22 H new ATOM 0 HA VAL A 76 -19.279 6.518 -5.116 1.00 52.15 H new ATOM 0 HB VAL A 76 -18.050 4.791 -6.421 1.00 71.55 H new ATOM 0 HG11 VAL A 76 -19.148 5.211 -8.584 1.00 12.43 H new ATOM 0 HG12 VAL A 76 -20.218 5.580 -7.210 1.00 12.43 H new ATOM 0 HG13 VAL A 76 -19.431 6.902 -8.104 1.00 12.43 H new ATOM 0 HG21 VAL A 76 -16.710 5.470 -8.374 1.00 65.25 H new ATOM 0 HG22 VAL A 76 -16.868 7.173 -7.881 1.00 65.25 H new ATOM 0 HG23 VAL A 76 -15.987 6.024 -6.845 1.00 65.25 H new ATOM 1129 N GLU A 77 -17.233 5.380 -3.927 1.00 15.52 N ATOM 1130 CA GLU A 77 -16.174 4.995 -3.014 1.00 43.35 C ATOM 1131 C GLU A 77 -15.500 3.722 -3.502 1.00 51.50 C ATOM 1132 O GLU A 77 -16.139 2.674 -3.623 1.00 34.35 O ATOM 1133 CB GLU A 77 -16.721 4.797 -1.597 1.00 72.54 C ATOM 1134 CG GLU A 77 -15.671 4.324 -0.604 1.00 52.42 C ATOM 1135 CD GLU A 77 -16.204 4.218 0.809 1.00 64.33 C ATOM 1136 OE1 GLU A 77 -17.159 3.445 1.037 1.00 42.33 O ATOM 1137 OE2 GLU A 77 -15.682 4.917 1.700 1.00 41.13 O ATOM 0 H GLU A 77 -17.995 4.705 -3.997 1.00 15.52 H new ATOM 0 HA GLU A 77 -15.437 5.797 -2.985 1.00 43.35 H new ATOM 0 HB2 GLU A 77 -17.146 5.737 -1.245 1.00 72.54 H new ATOM 0 HB3 GLU A 77 -17.534 4.072 -1.628 1.00 72.54 H new ATOM 0 HG2 GLU A 77 -15.293 3.351 -0.918 1.00 52.42 H new ATOM 0 HG3 GLU A 77 -14.827 5.014 -0.618 1.00 52.42 H new ATOM 1144 N LEU A 78 -14.221 3.833 -3.814 1.00 42.20 N ATOM 1145 CA LEU A 78 -13.420 2.679 -4.173 1.00 12.04 C ATOM 1146 C LEU A 78 -12.822 2.104 -2.903 1.00 50.31 C ATOM 1147 O LEU A 78 -12.008 2.748 -2.239 1.00 40.24 O ATOM 1148 CB LEU A 78 -12.328 3.084 -5.181 1.00 11.43 C ATOM 1149 CG LEU A 78 -11.507 1.942 -5.808 1.00 52.43 C ATOM 1150 CD1 LEU A 78 -10.383 1.497 -4.883 1.00 21.34 C ATOM 1151 CD2 LEU A 78 -12.403 0.764 -6.154 1.00 25.31 C ATOM 0 H LEU A 78 -13.713 4.718 -3.826 1.00 42.20 H new ATOM 0 HA LEU A 78 -14.036 1.919 -4.654 1.00 12.04 H new ATOM 0 HB2 LEU A 78 -12.800 3.646 -5.987 1.00 11.43 H new ATOM 0 HB3 LEU A 78 -11.638 3.764 -4.681 1.00 11.43 H new ATOM 0 HG LEU A 78 -11.059 2.322 -6.726 1.00 52.43 H new ATOM 0 HD11 LEU A 78 -9.822 0.690 -5.354 1.00 21.34 H new ATOM 0 HD12 LEU A 78 -9.716 2.338 -4.690 1.00 21.34 H new ATOM 0 HD13 LEU A 78 -10.805 1.144 -3.942 1.00 21.34 H new ATOM 0 HD21 LEU A 78 -11.803 -0.032 -6.596 1.00 25.31 H new ATOM 0 HD22 LEU A 78 -12.885 0.395 -5.249 1.00 25.31 H new ATOM 0 HD23 LEU A 78 -13.164 1.083 -6.866 1.00 25.31 H new ATOM 1163 N ASP A 79 -13.251 0.905 -2.559 1.00 72.53 N ATOM 1164 CA ASP A 79 -12.856 0.280 -1.311 1.00 72.31 C ATOM 1165 C ASP A 79 -12.287 -1.106 -1.569 1.00 10.25 C ATOM 1166 O ASP A 79 -12.968 -1.971 -2.114 1.00 73.20 O ATOM 1167 CB ASP A 79 -14.056 0.191 -0.367 1.00 21.01 C ATOM 1168 CG ASP A 79 -13.706 -0.443 0.961 1.00 22.04 C ATOM 1169 OD1 ASP A 79 -12.965 0.181 1.747 1.00 64.43 O ATOM 1170 OD2 ASP A 79 -14.184 -1.563 1.234 1.00 43.43 O ATOM 0 H ASP A 79 -13.878 0.340 -3.132 1.00 72.53 H new ATOM 0 HA ASP A 79 -12.083 0.890 -0.844 1.00 72.31 H new ATOM 0 HB2 ASP A 79 -14.453 1.191 -0.194 1.00 21.01 H new ATOM 0 HB3 ASP A 79 -14.847 -0.388 -0.844 1.00 21.01 H new ATOM 1175 N ALA A 80 -11.038 -1.309 -1.192 1.00 51.42 N ATOM 1176 CA ALA A 80 -10.381 -2.586 -1.415 1.00 13.42 C ATOM 1177 C ALA A 80 -9.713 -3.098 -0.146 1.00 53.40 C ATOM 1178 O ALA A 80 -9.036 -2.354 0.562 1.00 43.25 O ATOM 1179 CB ALA A 80 -9.366 -2.465 -2.539 1.00 52.11 C ATOM 0 H ALA A 80 -10.458 -0.608 -0.731 1.00 51.42 H new ATOM 0 HA ALA A 80 -11.143 -3.310 -1.703 1.00 13.42 H new ATOM 0 HB1 ALA A 80 -8.881 -3.428 -2.696 1.00 52.11 H new ATOM 0 HB2 ALA A 80 -9.872 -2.160 -3.455 1.00 52.11 H new ATOM 0 HB3 ALA A 80 -8.616 -1.720 -2.273 1.00 52.11 H new ATOM 1185 N ALA A 81 -9.940 -4.367 0.146 1.00 13.22 N ATOM 1186 CA ALA A 81 -9.286 -5.039 1.255 1.00 11.02 C ATOM 1187 C ALA A 81 -8.269 -6.042 0.731 1.00 4.11 C ATOM 1188 O ALA A 81 -8.638 -7.074 0.174 1.00 50.52 O ATOM 1189 CB ALA A 81 -10.312 -5.744 2.128 1.00 44.35 C ATOM 0 H ALA A 81 -10.583 -4.960 -0.379 1.00 13.22 H new ATOM 0 HA ALA A 81 -8.770 -4.293 1.859 1.00 11.02 H new ATOM 0 HB1 ALA A 81 -9.805 -6.243 2.954 1.00 44.35 H new ATOM 0 HB2 ALA A 81 -11.018 -5.013 2.523 1.00 44.35 H new ATOM 0 HB3 ALA A 81 -10.850 -6.483 1.533 1.00 44.35 H new ATOM 1195 N PHE A 82 -6.995 -5.725 0.890 1.00 14.23 N ATOM 1196 CA PHE A 82 -5.927 -6.610 0.444 1.00 41.22 C ATOM 1197 C PHE A 82 -5.409 -7.435 1.609 1.00 43.24 C ATOM 1198 O PHE A 82 -4.811 -6.903 2.541 1.00 71.23 O ATOM 1199 CB PHE A 82 -4.776 -5.806 -0.166 1.00 60.25 C ATOM 1200 CG PHE A 82 -5.145 -5.027 -1.397 1.00 31.42 C ATOM 1201 CD1 PHE A 82 -5.030 -5.597 -2.654 1.00 13.11 C ATOM 1202 CD2 PHE A 82 -5.596 -3.721 -1.297 1.00 14.50 C ATOM 1203 CE1 PHE A 82 -5.357 -4.881 -3.788 1.00 42.13 C ATOM 1204 CE2 PHE A 82 -5.926 -3.000 -2.427 1.00 34.24 C ATOM 1205 CZ PHE A 82 -5.807 -3.581 -3.675 1.00 20.45 C ATOM 0 H PHE A 82 -6.673 -4.861 1.325 1.00 14.23 H new ATOM 0 HA PHE A 82 -6.333 -7.275 -0.318 1.00 41.22 H new ATOM 0 HB2 PHE A 82 -4.394 -5.115 0.585 1.00 60.25 H new ATOM 0 HB3 PHE A 82 -3.963 -6.489 -0.413 1.00 60.25 H new ATOM 0 HD1 PHE A 82 -4.680 -6.614 -2.748 1.00 13.11 H new ATOM 0 HD2 PHE A 82 -5.690 -3.262 -0.324 1.00 14.50 H new ATOM 0 HE1 PHE A 82 -5.261 -5.337 -4.762 1.00 42.13 H new ATOM 0 HE2 PHE A 82 -6.277 -1.983 -2.336 1.00 34.24 H new ATOM 0 HZ PHE A 82 -6.066 -3.019 -4.560 1.00 20.45 H new ATOM 1215 N THR A 83 -5.646 -8.731 1.553 1.00 70.54 N ATOM 1216 CA THR A 83 -5.201 -9.639 2.592 1.00 74.22 C ATOM 1217 C THR A 83 -3.966 -10.404 2.131 1.00 44.23 C ATOM 1218 O THR A 83 -4.058 -11.299 1.286 1.00 41.13 O ATOM 1219 CB THR A 83 -6.320 -10.630 2.957 1.00 33.32 C ATOM 1220 OG1 THR A 83 -7.546 -9.913 3.143 1.00 51.30 O ATOM 1221 CG2 THR A 83 -5.986 -11.407 4.222 1.00 61.14 C ATOM 0 H THR A 83 -6.150 -9.183 0.790 1.00 70.54 H new ATOM 0 HA THR A 83 -4.948 -9.052 3.475 1.00 74.22 H new ATOM 0 HB THR A 83 -6.422 -11.345 2.141 1.00 33.32 H new ATOM 0 HG1 THR A 83 -8.261 -10.542 3.374 1.00 51.30 H new ATOM 0 HG21 THR A 83 -6.798 -12.097 4.450 1.00 61.14 H new ATOM 0 HG22 THR A 83 -5.064 -11.968 4.071 1.00 61.14 H new ATOM 0 HG23 THR A 83 -5.856 -10.712 5.052 1.00 61.14 H new ATOM 1229 N PHE A 84 -2.812 -10.033 2.669 1.00 63.02 N ATOM 1230 CA PHE A 84 -1.554 -10.663 2.295 1.00 0.31 C ATOM 1231 C PHE A 84 -1.202 -11.771 3.278 1.00 62.54 C ATOM 1232 O PHE A 84 -2.035 -12.179 4.095 1.00 61.10 O ATOM 1233 CB PHE A 84 -0.433 -9.622 2.254 1.00 73.23 C ATOM 1234 CG PHE A 84 -0.622 -8.567 1.200 1.00 14.33 C ATOM 1235 CD1 PHE A 84 -0.245 -8.804 -0.113 1.00 63.21 C ATOM 1236 CD2 PHE A 84 -1.172 -7.337 1.521 1.00 20.42 C ATOM 1237 CE1 PHE A 84 -0.414 -7.836 -1.083 1.00 54.35 C ATOM 1238 CE2 PHE A 84 -1.342 -6.364 0.554 1.00 44.24 C ATOM 1239 CZ PHE A 84 -0.962 -6.614 -0.749 1.00 63.00 C ATOM 0 H PHE A 84 -2.722 -9.296 3.368 1.00 63.02 H new ATOM 0 HA PHE A 84 -1.667 -11.100 1.303 1.00 0.31 H new ATOM 0 HB2 PHE A 84 -0.362 -9.140 3.229 1.00 73.23 H new ATOM 0 HB3 PHE A 84 0.516 -10.130 2.080 1.00 73.23 H new ATOM 0 HD1 PHE A 84 0.186 -9.757 -0.380 1.00 63.21 H new ATOM 0 HD2 PHE A 84 -1.472 -7.136 2.539 1.00 20.42 H new ATOM 0 HE1 PHE A 84 -0.118 -8.035 -2.102 1.00 54.35 H new ATOM 0 HE2 PHE A 84 -1.772 -5.409 0.818 1.00 44.24 H new ATOM 0 HZ PHE A 84 -1.093 -5.855 -1.506 1.00 63.00 H new ATOM 1249 N SER A 85 0.023 -12.265 3.191 1.00 53.03 N ATOM 1250 CA SER A 85 0.485 -13.305 4.088 1.00 2.05 C ATOM 1251 C SER A 85 1.318 -12.680 5.197 1.00 61.02 C ATOM 1252 O SER A 85 1.171 -13.013 6.374 1.00 32.41 O ATOM 1253 CB SER A 85 1.324 -14.326 3.319 1.00 41.42 C ATOM 1254 OG SER A 85 0.719 -14.649 2.078 1.00 30.23 O ATOM 0 H SER A 85 0.714 -11.960 2.506 1.00 53.03 H new ATOM 0 HA SER A 85 -0.375 -13.815 4.523 1.00 2.05 H new ATOM 0 HB2 SER A 85 2.323 -13.926 3.147 1.00 41.42 H new ATOM 0 HB3 SER A 85 1.441 -15.230 3.917 1.00 41.42 H new ATOM 0 HG SER A 85 1.183 -15.413 1.677 1.00 30.23 H new ATOM 1260 N CYS A 86 2.181 -11.756 4.802 1.00 5.31 N ATOM 1261 CA CYS A 86 3.052 -11.066 5.733 1.00 32.31 C ATOM 1262 C CYS A 86 2.728 -9.580 5.749 1.00 14.44 C ATOM 1263 O CYS A 86 2.304 -9.017 4.738 1.00 64.44 O ATOM 1264 CB CYS A 86 4.514 -11.273 5.330 1.00 24.05 C ATOM 1265 SG CYS A 86 4.962 -13.004 5.057 1.00 54.43 S ATOM 0 H CYS A 86 2.295 -11.466 3.831 1.00 5.31 H new ATOM 0 HA CYS A 86 2.894 -11.474 6.731 1.00 32.31 H new ATOM 0 HB2 CYS A 86 4.713 -10.709 4.419 1.00 24.05 H new ATOM 0 HB3 CYS A 86 5.157 -10.860 6.107 1.00 24.05 H new ATOM 0 HG CYS A 86 6.215 -13.080 4.718 1.00 54.43 H new ATOM 1271 N GLN A 87 2.922 -8.950 6.899 1.00 2.41 N ATOM 1272 CA GLN A 87 2.725 -7.513 7.034 1.00 64.54 C ATOM 1273 C GLN A 87 3.669 -6.758 6.112 1.00 62.11 C ATOM 1274 O GLN A 87 3.337 -5.681 5.619 1.00 43.14 O ATOM 1275 CB GLN A 87 2.936 -7.082 8.484 1.00 12.22 C ATOM 1276 CG GLN A 87 2.812 -5.581 8.702 1.00 33.11 C ATOM 1277 CD GLN A 87 2.626 -5.235 10.161 1.00 22.31 C ATOM 1278 OE1 GLN A 87 3.585 -4.963 10.881 1.00 20.15 O ATOM 1279 NE2 GLN A 87 1.383 -5.266 10.609 1.00 75.22 N ATOM 0 H GLN A 87 3.218 -9.415 7.757 1.00 2.41 H new ATOM 0 HA GLN A 87 1.701 -7.275 6.747 1.00 64.54 H new ATOM 0 HB2 GLN A 87 2.208 -7.593 9.115 1.00 12.22 H new ATOM 0 HB3 GLN A 87 3.924 -7.407 8.810 1.00 12.22 H new ATOM 0 HG2 GLN A 87 3.705 -5.084 8.323 1.00 33.11 H new ATOM 0 HG3 GLN A 87 1.967 -5.200 8.128 1.00 33.11 H new ATOM 0 HE21 GLN A 87 0.618 -5.497 9.975 1.00 75.22 H new ATOM 0 HE22 GLN A 87 1.189 -5.059 11.589 1.00 75.22 H new ATOM 1288 N ALA A 88 4.841 -7.341 5.877 1.00 2.12 N ATOM 1289 CA ALA A 88 5.813 -6.776 4.957 1.00 11.42 C ATOM 1290 C ALA A 88 5.178 -6.498 3.600 1.00 31.02 C ATOM 1291 O ALA A 88 5.341 -5.418 3.047 1.00 2.34 O ATOM 1292 CB ALA A 88 7.002 -7.709 4.801 1.00 32.50 C ATOM 0 H ALA A 88 5.139 -8.212 6.317 1.00 2.12 H new ATOM 0 HA ALA A 88 6.162 -5.830 5.372 1.00 11.42 H new ATOM 0 HB1 ALA A 88 7.720 -7.270 4.108 1.00 32.50 H new ATOM 0 HB2 ALA A 88 7.477 -7.858 5.771 1.00 32.50 H new ATOM 0 HB3 ALA A 88 6.663 -8.669 4.412 1.00 32.50 H new ATOM 1298 N GLU A 89 4.424 -7.470 3.090 1.00 42.52 N ATOM 1299 CA GLU A 89 3.784 -7.343 1.782 1.00 65.01 C ATOM 1300 C GLU A 89 2.744 -6.231 1.801 1.00 54.32 C ATOM 1301 O GLU A 89 2.570 -5.515 0.819 1.00 14.34 O ATOM 1302 CB GLU A 89 3.113 -8.659 1.390 1.00 4.22 C ATOM 1303 CG GLU A 89 4.026 -9.867 1.485 1.00 13.14 C ATOM 1304 CD GLU A 89 3.288 -11.167 1.243 1.00 43.24 C ATOM 1305 OE1 GLU A 89 2.403 -11.507 2.053 1.00 34.51 O ATOM 1306 OE2 GLU A 89 3.601 -11.864 0.254 1.00 62.35 O ATOM 0 H GLU A 89 4.241 -8.355 3.563 1.00 42.52 H new ATOM 0 HA GLU A 89 4.554 -7.098 1.050 1.00 65.01 H new ATOM 0 HB2 GLU A 89 2.247 -8.819 2.032 1.00 4.22 H new ATOM 0 HB3 GLU A 89 2.742 -8.576 0.369 1.00 4.22 H new ATOM 0 HG2 GLU A 89 4.832 -9.769 0.757 1.00 13.14 H new ATOM 0 HG3 GLU A 89 4.489 -9.893 2.472 1.00 13.14 H new ATOM 1313 N MET A 90 2.063 -6.095 2.933 1.00 11.44 N ATOM 1314 CA MET A 90 1.055 -5.056 3.112 1.00 72.32 C ATOM 1315 C MET A 90 1.687 -3.671 3.046 1.00 20.05 C ATOM 1316 O MET A 90 1.323 -2.852 2.201 1.00 34.32 O ATOM 1317 CB MET A 90 0.335 -5.239 4.453 1.00 54.33 C ATOM 1318 CG MET A 90 -0.539 -4.058 4.847 1.00 43.45 C ATOM 1319 SD MET A 90 -1.342 -4.285 6.447 1.00 33.30 S ATOM 1320 CE MET A 90 -2.112 -2.685 6.673 1.00 44.34 C ATOM 0 H MET A 90 2.192 -6.696 3.747 1.00 11.44 H new ATOM 0 HA MET A 90 0.329 -5.144 2.303 1.00 72.32 H new ATOM 0 HB2 MET A 90 -0.283 -6.136 4.404 1.00 54.33 H new ATOM 0 HB3 MET A 90 1.077 -5.406 5.233 1.00 54.33 H new ATOM 0 HG2 MET A 90 0.070 -3.155 4.876 1.00 43.45 H new ATOM 0 HG3 MET A 90 -1.300 -3.904 4.082 1.00 43.45 H new ATOM 0 HE1 MET A 90 -3.057 -2.807 7.203 1.00 44.34 H new ATOM 0 HE2 MET A 90 -1.451 -2.042 7.254 1.00 44.34 H new ATOM 0 HE3 MET A 90 -2.298 -2.230 5.700 1.00 44.34 H new ATOM 1330 N ILE A 91 2.650 -3.428 3.923 1.00 44.41 N ATOM 1331 CA ILE A 91 3.246 -2.111 4.049 1.00 42.03 C ATOM 1332 C ILE A 91 4.014 -1.695 2.791 1.00 60.52 C ATOM 1333 O ILE A 91 3.928 -0.542 2.372 1.00 73.32 O ATOM 1334 CB ILE A 91 4.159 -2.015 5.292 1.00 71.00 C ATOM 1335 CG1 ILE A 91 5.136 -3.191 5.352 1.00 10.32 C ATOM 1336 CG2 ILE A 91 3.312 -1.961 6.554 1.00 54.24 C ATOM 1337 CD1 ILE A 91 6.177 -3.072 6.447 1.00 73.24 C ATOM 0 H ILE A 91 3.034 -4.128 4.558 1.00 44.41 H new ATOM 0 HA ILE A 91 2.418 -1.414 4.175 1.00 42.03 H new ATOM 0 HB ILE A 91 4.745 -1.099 5.218 1.00 71.00 H new ATOM 0 HG12 ILE A 91 4.572 -4.112 5.500 1.00 10.32 H new ATOM 0 HG13 ILE A 91 5.643 -3.279 4.391 1.00 10.32 H new ATOM 0 HG21 ILE A 91 3.962 -1.893 7.426 1.00 54.24 H new ATOM 0 HG22 ILE A 91 2.661 -1.087 6.518 1.00 54.24 H new ATOM 0 HG23 ILE A 91 2.705 -2.863 6.623 1.00 54.24 H new ATOM 0 HD11 ILE A 91 6.831 -3.944 6.424 1.00 73.24 H new ATOM 0 HD12 ILE A 91 6.769 -2.170 6.290 1.00 73.24 H new ATOM 0 HD13 ILE A 91 5.681 -3.016 7.416 1.00 73.24 H new ATOM 1349 N ILE A 92 4.736 -2.627 2.166 1.00 52.33 N ATOM 1350 CA ILE A 92 5.480 -2.305 0.951 1.00 40.11 C ATOM 1351 C ILE A 92 4.524 -1.945 -0.180 1.00 61.42 C ATOM 1352 O ILE A 92 4.842 -1.120 -1.036 1.00 40.42 O ATOM 1353 CB ILE A 92 6.403 -3.458 0.491 1.00 21.30 C ATOM 1354 CG1 ILE A 92 5.593 -4.717 0.166 1.00 34.30 C ATOM 1355 CG2 ILE A 92 7.460 -3.746 1.549 1.00 75.00 C ATOM 1356 CD1 ILE A 92 6.427 -5.856 -0.379 1.00 34.10 C ATOM 0 H ILE A 92 4.820 -3.595 2.476 1.00 52.33 H new ATOM 0 HA ILE A 92 6.112 -1.451 1.194 1.00 40.11 H new ATOM 0 HB ILE A 92 6.909 -3.147 -0.423 1.00 21.30 H new ATOM 0 HG12 ILE A 92 5.083 -5.052 1.069 1.00 34.30 H new ATOM 0 HG13 ILE A 92 4.821 -4.464 -0.561 1.00 34.30 H new ATOM 0 HG21 ILE A 92 8.101 -4.560 1.210 1.00 75.00 H new ATOM 0 HG22 ILE A 92 8.063 -2.853 1.713 1.00 75.00 H new ATOM 0 HG23 ILE A 92 6.973 -4.032 2.481 1.00 75.00 H new ATOM 0 HD11 ILE A 92 5.784 -6.712 -0.585 1.00 34.10 H new ATOM 0 HD12 ILE A 92 6.917 -5.540 -1.300 1.00 34.10 H new ATOM 0 HD13 ILE A 92 7.182 -6.138 0.355 1.00 34.10 H new ATOM 1368 N PHE A 93 3.343 -2.548 -0.156 1.00 41.33 N ATOM 1369 CA PHE A 93 2.335 -2.314 -1.180 1.00 0.34 C ATOM 1370 C PHE A 93 1.796 -0.890 -1.097 1.00 61.21 C ATOM 1371 O PHE A 93 1.794 -0.160 -2.087 1.00 53.11 O ATOM 1372 CB PHE A 93 1.197 -3.326 -1.020 1.00 53.34 C ATOM 1373 CG PHE A 93 0.028 -3.099 -1.933 1.00 12.11 C ATOM 1374 CD1 PHE A 93 0.129 -3.350 -3.289 1.00 14.42 C ATOM 1375 CD2 PHE A 93 -1.179 -2.643 -1.427 1.00 14.03 C ATOM 1376 CE1 PHE A 93 -0.953 -3.153 -4.124 1.00 3.24 C ATOM 1377 CE2 PHE A 93 -2.262 -2.442 -2.257 1.00 70.10 C ATOM 1378 CZ PHE A 93 -2.149 -2.697 -3.608 1.00 51.22 C ATOM 0 H PHE A 93 3.059 -3.208 0.568 1.00 41.33 H new ATOM 0 HA PHE A 93 2.794 -2.442 -2.160 1.00 0.34 H new ATOM 0 HB2 PHE A 93 1.591 -4.327 -1.197 1.00 53.34 H new ATOM 0 HB3 PHE A 93 0.846 -3.299 0.012 1.00 53.34 H new ATOM 0 HD1 PHE A 93 1.063 -3.704 -3.699 1.00 14.42 H new ATOM 0 HD2 PHE A 93 -1.273 -2.443 -0.370 1.00 14.03 H new ATOM 0 HE1 PHE A 93 -0.863 -3.356 -5.181 1.00 3.24 H new ATOM 0 HE2 PHE A 93 -3.197 -2.086 -1.850 1.00 70.10 H new ATOM 0 HZ PHE A 93 -2.995 -2.540 -4.261 1.00 51.22 H new ATOM 1388 N GLU A 94 1.371 -0.485 0.091 1.00 52.40 N ATOM 1389 CA GLU A 94 0.775 0.829 0.272 1.00 42.45 C ATOM 1390 C GLU A 94 1.825 1.938 0.220 1.00 20.20 C ATOM 1391 O GLU A 94 1.516 3.072 -0.148 1.00 41.12 O ATOM 1392 CB GLU A 94 -0.044 0.885 1.563 1.00 32.53 C ATOM 1393 CG GLU A 94 0.659 0.310 2.776 1.00 3.44 C ATOM 1394 CD GLU A 94 -0.264 0.220 3.971 1.00 12.23 C ATOM 1395 OE1 GLU A 94 -1.000 -0.781 4.082 1.00 0.34 O ATOM 1396 OE2 GLU A 94 -0.270 1.161 4.790 1.00 71.33 O ATOM 0 H GLU A 94 1.428 -1.046 0.941 1.00 52.40 H new ATOM 0 HA GLU A 94 0.093 1.001 -0.561 1.00 42.45 H new ATOM 0 HB2 GLU A 94 -0.306 1.923 1.768 1.00 32.53 H new ATOM 0 HB3 GLU A 94 -0.978 0.345 1.410 1.00 32.53 H new ATOM 0 HG2 GLU A 94 1.042 -0.682 2.537 1.00 3.44 H new ATOM 0 HG3 GLU A 94 1.518 0.932 3.027 1.00 3.44 H new ATOM 1403 N LEU A 95 3.062 1.625 0.585 1.00 44.34 N ATOM 1404 CA LEU A 95 4.155 2.581 0.423 1.00 71.10 C ATOM 1405 C LEU A 95 4.455 2.781 -1.061 1.00 12.25 C ATOM 1406 O LEU A 95 4.661 3.906 -1.519 1.00 63.02 O ATOM 1407 CB LEU A 95 5.412 2.114 1.165 1.00 2.10 C ATOM 1408 CG LEU A 95 5.301 2.104 2.692 1.00 62.33 C ATOM 1409 CD1 LEU A 95 6.596 1.613 3.317 1.00 43.44 C ATOM 1410 CD2 LEU A 95 4.948 3.489 3.218 1.00 13.04 C ATOM 0 H LEU A 95 3.334 0.729 0.990 1.00 44.34 H new ATOM 0 HA LEU A 95 3.846 3.533 0.856 1.00 71.10 H new ATOM 0 HB2 LEU A 95 5.661 1.108 0.828 1.00 2.10 H new ATOM 0 HB3 LEU A 95 6.243 2.760 0.881 1.00 2.10 H new ATOM 0 HG LEU A 95 4.500 1.419 2.970 1.00 62.33 H new ATOM 0 HD11 LEU A 95 6.499 1.613 4.403 1.00 43.44 H new ATOM 0 HD12 LEU A 95 6.806 0.601 2.971 1.00 43.44 H new ATOM 0 HD13 LEU A 95 7.413 2.273 3.026 1.00 43.44 H new ATOM 0 HD21 LEU A 95 4.874 3.458 4.305 1.00 13.04 H new ATOM 0 HD22 LEU A 95 5.724 4.197 2.927 1.00 13.04 H new ATOM 0 HD23 LEU A 95 3.993 3.805 2.799 1.00 13.04 H new ATOM 1422 N SER A 96 4.460 1.683 -1.807 1.00 0.05 N ATOM 1423 CA SER A 96 4.651 1.732 -3.250 1.00 43.21 C ATOM 1424 C SER A 96 3.541 2.548 -3.912 1.00 43.31 C ATOM 1425 O SER A 96 3.789 3.281 -4.871 1.00 64.42 O ATOM 1426 CB SER A 96 4.689 0.313 -3.827 1.00 73.44 C ATOM 1427 OG SER A 96 5.022 0.320 -5.204 1.00 23.11 O ATOM 0 H SER A 96 4.333 0.743 -1.433 1.00 0.05 H new ATOM 0 HA SER A 96 5.604 2.219 -3.457 1.00 43.21 H new ATOM 0 HB2 SER A 96 5.418 -0.284 -3.279 1.00 73.44 H new ATOM 0 HB3 SER A 96 3.718 -0.163 -3.689 1.00 73.44 H new ATOM 0 HG SER A 96 5.039 -0.600 -5.541 1.00 23.11 H new ATOM 1433 N LEU A 97 2.321 2.430 -3.385 1.00 70.50 N ATOM 1434 CA LEU A 97 1.193 3.221 -3.876 1.00 42.23 C ATOM 1435 C LEU A 97 1.533 4.705 -3.862 1.00 3.23 C ATOM 1436 O LEU A 97 1.341 5.408 -4.854 1.00 25.11 O ATOM 1437 CB LEU A 97 -0.055 2.981 -3.020 1.00 34.52 C ATOM 1438 CG LEU A 97 -0.596 1.551 -3.021 1.00 33.44 C ATOM 1439 CD1 LEU A 97 -1.814 1.447 -2.118 1.00 43.43 C ATOM 1440 CD2 LEU A 97 -0.942 1.111 -4.433 1.00 2.34 C ATOM 0 H LEU A 97 2.090 1.796 -2.620 1.00 70.50 H new ATOM 0 HA LEU A 97 0.989 2.907 -4.900 1.00 42.23 H new ATOM 0 HB2 LEU A 97 0.173 3.263 -1.992 1.00 34.52 H new ATOM 0 HB3 LEU A 97 -0.844 3.648 -3.366 1.00 34.52 H new ATOM 0 HG LEU A 97 0.179 0.888 -2.637 1.00 33.44 H new ATOM 0 HD11 LEU A 97 -2.188 0.423 -2.129 1.00 43.43 H new ATOM 0 HD12 LEU A 97 -1.537 1.722 -1.100 1.00 43.43 H new ATOM 0 HD13 LEU A 97 -2.592 2.121 -2.477 1.00 43.43 H new ATOM 0 HD21 LEU A 97 -1.325 0.091 -4.413 1.00 2.34 H new ATOM 0 HD22 LEU A 97 -1.701 1.776 -4.845 1.00 2.34 H new ATOM 0 HD23 LEU A 97 -0.048 1.150 -5.056 1.00 2.34 H new ATOM 1452 N ARG A 98 2.055 5.167 -2.732 1.00 20.42 N ATOM 1453 CA ARG A 98 2.433 6.564 -2.579 1.00 1.03 C ATOM 1454 C ARG A 98 3.590 6.920 -3.503 1.00 34.11 C ATOM 1455 O ARG A 98 3.614 8.002 -4.087 1.00 41.04 O ATOM 1456 CB ARG A 98 2.817 6.862 -1.132 1.00 73.41 C ATOM 1457 CG ARG A 98 1.678 6.682 -0.148 1.00 40.52 C ATOM 1458 CD ARG A 98 2.098 7.105 1.246 1.00 24.44 C ATOM 1459 NE ARG A 98 1.044 6.888 2.230 1.00 54.11 N ATOM 1460 CZ ARG A 98 0.763 7.733 3.222 1.00 14.33 C ATOM 1461 NH1 ARG A 98 1.427 8.879 3.333 1.00 22.12 N ATOM 1462 NH2 ARG A 98 -0.196 7.438 4.087 1.00 33.03 N ATOM 0 H ARG A 98 2.226 4.592 -1.907 1.00 20.42 H new ATOM 0 HA ARG A 98 1.571 7.173 -2.850 1.00 1.03 H new ATOM 0 HB2 ARG A 98 3.641 6.210 -0.843 1.00 73.41 H new ATOM 0 HB3 ARG A 98 3.183 7.887 -1.067 1.00 73.41 H new ATOM 0 HG2 ARG A 98 0.819 7.271 -0.468 1.00 40.52 H new ATOM 0 HG3 ARG A 98 1.363 5.639 -0.137 1.00 40.52 H new ATOM 0 HD2 ARG A 98 2.987 6.548 1.540 1.00 24.44 H new ATOM 0 HD3 ARG A 98 2.372 8.160 1.236 1.00 24.44 H new ATOM 0 HE ARG A 98 0.487 6.037 2.155 1.00 54.11 H new ATOM 0 HH11 ARG A 98 2.154 9.114 2.658 1.00 22.12 H new ATOM 0 HH12 ARG A 98 1.209 9.523 4.093 1.00 22.12 H new ATOM 0 HH21 ARG A 98 -0.717 6.566 3.993 1.00 33.03 H new ATOM 0 HH22 ARG A 98 -0.413 8.083 4.847 1.00 33.03 H new ATOM 1476 N SER A 99 4.537 6.000 -3.636 1.00 21.42 N ATOM 1477 CA SER A 99 5.716 6.219 -4.463 1.00 21.20 C ATOM 1478 C SER A 99 5.329 6.364 -5.932 1.00 11.55 C ATOM 1479 O SER A 99 5.843 7.228 -6.635 1.00 33.11 O ATOM 1480 CB SER A 99 6.707 5.061 -4.291 1.00 51.31 C ATOM 1481 OG SER A 99 7.913 5.299 -5.001 1.00 52.03 O ATOM 0 H SER A 99 4.510 5.089 -3.178 1.00 21.42 H new ATOM 0 HA SER A 99 6.192 7.145 -4.140 1.00 21.20 H new ATOM 0 HB2 SER A 99 6.928 4.924 -3.232 1.00 51.31 H new ATOM 0 HB3 SER A 99 6.252 4.136 -4.644 1.00 51.31 H new ATOM 0 HG SER A 99 8.524 4.544 -4.870 1.00 52.03 H new ATOM 1487 N LEU A 100 4.415 5.517 -6.386 1.00 24.25 N ATOM 1488 CA LEU A 100 3.975 5.545 -7.776 1.00 73.52 C ATOM 1489 C LEU A 100 3.127 6.780 -8.047 1.00 72.40 C ATOM 1490 O LEU A 100 3.191 7.366 -9.128 1.00 34.35 O ATOM 1491 CB LEU A 100 3.180 4.287 -8.101 1.00 55.33 C ATOM 1492 CG LEU A 100 2.866 4.073 -9.584 1.00 13.33 C ATOM 1493 CD1 LEU A 100 4.148 3.892 -10.381 1.00 22.43 C ATOM 1494 CD2 LEU A 100 1.951 2.874 -9.768 1.00 74.31 C ATOM 0 H LEU A 100 3.964 4.803 -5.814 1.00 24.25 H new ATOM 0 HA LEU A 100 4.858 5.583 -8.414 1.00 73.52 H new ATOM 0 HB2 LEU A 100 3.735 3.423 -7.736 1.00 55.33 H new ATOM 0 HB3 LEU A 100 2.241 4.319 -7.549 1.00 55.33 H new ATOM 0 HG LEU A 100 2.352 4.959 -9.957 1.00 13.33 H new ATOM 0 HD11 LEU A 100 3.904 3.741 -11.433 1.00 22.43 H new ATOM 0 HD12 LEU A 100 4.770 4.781 -10.276 1.00 22.43 H new ATOM 0 HD13 LEU A 100 4.690 3.024 -10.006 1.00 22.43 H new ATOM 0 HD21 LEU A 100 1.739 2.738 -10.828 1.00 74.31 H new ATOM 0 HD22 LEU A 100 2.439 1.981 -9.378 1.00 74.31 H new ATOM 0 HD23 LEU A 100 1.018 3.042 -9.230 1.00 74.31 H new