USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 86 HIS : no HD1:sc= 0.283 K(o=0.57,f=-0.72) USER MOD Set 1.2: A 91 THR OG1 : rot -113:sc= 0.29 USER MOD Set 2.1: A 44 HIS : no HE2:sc= -0.729 K(o=-1.4,f=-4.6!) USER MOD Set 2.2: A 84 ASN :FLIP amide:sc= -0.647 F(o=-3.8,f=-1.4) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.829 F(o=-3.4!,f=-0.83) USER MOD Single : A 56 ASN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= 0.779 (180deg=0.429) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= -0.219 (180deg=-0.622) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= 0.555 (180deg=0.274) USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= 0.777 (180deg=-0.0631) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 52:sc= 0.0894 USER MOD Single : A 87 SER OG : rot -118:sc= -1.04 USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 93 THR OG1 : rot 44:sc= 0.227 USER MOD Single : A 95 ASN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 328 N LEU A 21 10.423 1.166 -3.804 1.00 5.30 N ATOM 329 CA LEU A 21 9.008 0.920 -4.144 1.00 11.01 C ATOM 330 C LEU A 21 8.089 1.576 -3.099 1.00 54.11 C ATOM 331 O LEU A 21 7.001 2.045 -3.426 1.00 50.22 O ATOM 332 CB LEU A 21 8.690 -0.614 -4.202 1.00 34.14 C ATOM 333 CG LEU A 21 9.617 -1.514 -5.096 1.00 63.43 C ATOM 334 CD1 LEU A 21 10.964 -1.843 -4.394 1.00 62.13 C ATOM 335 CD2 LEU A 21 8.879 -2.809 -5.530 1.00 34.40 C ATOM 0 HA LEU A 21 8.829 1.354 -5.128 1.00 11.01 H new ATOM 0 HB2 LEU A 21 8.724 -1.003 -3.184 1.00 34.14 H new ATOM 0 HB3 LEU A 21 7.665 -0.732 -4.555 1.00 34.14 H new ATOM 0 HG LEU A 21 9.857 -0.942 -5.992 1.00 63.43 H new ATOM 0 HD11 LEU A 21 11.573 -2.467 -5.049 1.00 62.13 H new ATOM 0 HD12 LEU A 21 11.497 -0.917 -4.177 1.00 62.13 H new ATOM 0 HD13 LEU A 21 10.769 -2.376 -3.463 1.00 62.13 H new ATOM 0 HD21 LEU A 21 9.541 -3.415 -6.148 1.00 34.40 H new ATOM 0 HD22 LEU A 21 8.588 -3.376 -4.646 1.00 34.40 H new ATOM 0 HD23 LEU A 21 7.989 -2.546 -6.102 1.00 34.40 H new ATOM 347 N LEU A 22 8.532 1.569 -1.832 1.00 62.53 N ATOM 348 CA LEU A 22 7.667 1.886 -0.677 1.00 40.45 C ATOM 349 C LEU A 22 7.547 3.389 -0.352 1.00 52.54 C ATOM 350 O LEU A 22 6.475 3.826 0.052 1.00 35.24 O ATOM 351 CB LEU A 22 8.158 1.127 0.567 1.00 2.33 C ATOM 352 CG LEU A 22 8.235 -0.427 0.447 1.00 25.22 C ATOM 353 CD1 LEU A 22 8.586 -1.039 1.804 1.00 2.33 C ATOM 354 CD2 LEU A 22 6.944 -1.049 -0.138 1.00 22.10 C ATOM 0 H LEU A 22 9.494 1.345 -1.577 1.00 62.53 H new ATOM 0 HA LEU A 22 6.666 1.564 -0.965 1.00 40.45 H new ATOM 0 HB2 LEU A 22 9.150 1.499 0.825 1.00 2.33 H new ATOM 0 HB3 LEU A 22 7.499 1.373 1.399 1.00 2.33 H new ATOM 0 HG LEU A 22 9.028 -0.662 -0.263 1.00 25.22 H new ATOM 0 HD11 LEU A 22 8.638 -2.124 1.711 1.00 2.33 H new ATOM 0 HD12 LEU A 22 9.551 -0.657 2.137 1.00 2.33 H new ATOM 0 HD13 LEU A 22 7.820 -0.773 2.532 1.00 2.33 H new ATOM 0 HD21 LEU A 22 7.056 -2.132 -0.198 1.00 22.10 H new ATOM 0 HD22 LEU A 22 6.099 -0.807 0.507 1.00 22.10 H new ATOM 0 HD23 LEU A 22 6.766 -0.647 -1.135 1.00 22.10 H new ATOM 366 N GLU A 23 8.632 4.170 -0.500 1.00 11.02 N ATOM 367 CA GLU A 23 8.643 5.602 -0.091 1.00 2.15 C ATOM 368 C GLU A 23 7.627 6.426 -0.914 1.00 53.15 C ATOM 369 O GLU A 23 6.958 7.316 -0.384 1.00 63.42 O ATOM 370 CB GLU A 23 10.063 6.200 -0.219 1.00 3.42 C ATOM 371 CG GLU A 23 10.194 7.646 0.288 1.00 42.35 C ATOM 372 CD GLU A 23 11.581 8.241 0.036 1.00 73.34 C ATOM 373 OE1 GLU A 23 12.407 8.296 0.970 1.00 25.33 O ATOM 374 OE2 GLU A 23 11.859 8.649 -1.116 1.00 15.50 O ATOM 0 H GLU A 23 9.513 3.843 -0.897 1.00 11.02 H new ATOM 0 HA GLU A 23 8.345 5.651 0.956 1.00 2.15 H new ATOM 0 HB2 GLU A 23 10.760 5.570 0.334 1.00 3.42 H new ATOM 0 HB3 GLU A 23 10.365 6.167 -1.266 1.00 3.42 H new ATOM 0 HG2 GLU A 23 9.443 8.267 -0.201 1.00 42.35 H new ATOM 0 HG3 GLU A 23 9.982 7.672 1.357 1.00 42.35 H new ATOM 381 N ARG A 24 7.502 6.087 -2.207 1.00 21.04 N ATOM 382 CA ARG A 24 6.499 6.698 -3.106 1.00 4.52 C ATOM 383 C ARG A 24 5.068 6.306 -2.678 1.00 42.30 C ATOM 384 O ARG A 24 4.124 7.070 -2.888 1.00 70.21 O ATOM 385 CB ARG A 24 6.775 6.293 -4.582 1.00 3.11 C ATOM 386 CG ARG A 24 6.742 4.771 -4.846 1.00 63.52 C ATOM 387 CD ARG A 24 7.208 4.380 -6.260 1.00 31.44 C ATOM 388 NE ARG A 24 6.331 4.922 -7.314 1.00 32.43 N ATOM 389 CZ ARG A 24 6.521 4.757 -8.636 1.00 43.44 C ATOM 390 NH1 ARG A 24 7.570 4.082 -9.103 1.00 22.14 N ATOM 391 NH2 ARG A 24 5.646 5.267 -9.489 1.00 73.30 N ATOM 0 H ARG A 24 8.088 5.386 -2.661 1.00 21.04 H new ATOM 0 HA ARG A 24 6.582 7.782 -3.031 1.00 4.52 H new ATOM 0 HB2 ARG A 24 6.037 6.776 -5.222 1.00 3.11 H new ATOM 0 HB3 ARG A 24 7.752 6.679 -4.875 1.00 3.11 H new ATOM 0 HG2 ARG A 24 7.374 4.270 -4.113 1.00 63.52 H new ATOM 0 HG3 ARG A 24 5.726 4.406 -4.694 1.00 63.52 H new ATOM 0 HD2 ARG A 24 8.225 4.741 -6.417 1.00 31.44 H new ATOM 0 HD3 ARG A 24 7.239 3.293 -6.341 1.00 31.44 H new ATOM 0 HE ARG A 24 5.518 5.463 -7.019 1.00 32.43 H new ATOM 0 HH11 ARG A 24 8.247 3.679 -8.455 1.00 22.14 H new ATOM 0 HH12 ARG A 24 7.696 3.968 -10.109 1.00 22.14 H new ATOM 0 HH21 ARG A 24 4.836 5.780 -9.142 1.00 73.30 H new ATOM 0 HH22 ARG A 24 5.782 5.147 -10.493 1.00 73.30 H new ATOM 405 N LEU A 25 4.923 5.110 -2.063 1.00 51.24 N ATOM 406 CA LEU A 25 3.638 4.653 -1.513 1.00 32.52 C ATOM 407 C LEU A 25 3.303 5.478 -0.275 1.00 20.12 C ATOM 408 O LEU A 25 2.159 5.886 -0.110 1.00 54.00 O ATOM 409 CB LEU A 25 3.673 3.132 -1.179 1.00 2.04 C ATOM 410 CG LEU A 25 3.916 2.189 -2.396 1.00 51.33 C ATOM 411 CD1 LEU A 25 4.043 0.712 -1.959 1.00 75.41 C ATOM 412 CD2 LEU A 25 2.812 2.375 -3.453 1.00 3.43 C ATOM 0 H LEU A 25 5.687 4.446 -1.938 1.00 51.24 H new ATOM 0 HA LEU A 25 2.860 4.796 -2.263 1.00 32.52 H new ATOM 0 HB2 LEU A 25 4.457 2.956 -0.442 1.00 2.04 H new ATOM 0 HB3 LEU A 25 2.728 2.858 -0.711 1.00 2.04 H new ATOM 0 HG LEU A 25 4.868 2.466 -2.850 1.00 51.33 H new ATOM 0 HD11 LEU A 25 4.212 0.086 -2.836 1.00 75.41 H new ATOM 0 HD12 LEU A 25 4.882 0.607 -1.271 1.00 75.41 H new ATOM 0 HD13 LEU A 25 3.125 0.400 -1.462 1.00 75.41 H new ATOM 0 HD21 LEU A 25 2.999 1.709 -4.295 1.00 3.43 H new ATOM 0 HD22 LEU A 25 1.843 2.140 -3.012 1.00 3.43 H new ATOM 0 HD23 LEU A 25 2.812 3.408 -3.801 1.00 3.43 H new ATOM 424 N ARG A 26 4.334 5.746 0.560 1.00 33.15 N ATOM 425 CA ARG A 26 4.216 6.582 1.773 1.00 23.42 C ATOM 426 C ARG A 26 3.592 7.928 1.418 1.00 22.13 C ATOM 427 O ARG A 26 2.616 8.341 2.027 1.00 51.45 O ATOM 428 CB ARG A 26 5.612 6.829 2.420 1.00 72.33 C ATOM 429 CG ARG A 26 5.560 7.486 3.819 1.00 12.05 C ATOM 430 CD ARG A 26 6.866 8.206 4.186 1.00 23.55 C ATOM 431 NE ARG A 26 8.067 7.355 4.057 1.00 64.30 N ATOM 432 CZ ARG A 26 9.329 7.785 4.253 1.00 21.54 C ATOM 433 NH1 ARG A 26 9.568 9.056 4.581 1.00 43.24 N ATOM 434 NH2 ARG A 26 10.350 6.951 4.098 1.00 74.45 N ATOM 0 H ARG A 26 5.276 5.385 0.408 1.00 33.15 H new ATOM 0 HA ARG A 26 3.584 6.052 2.485 1.00 23.42 H new ATOM 0 HB2 ARG A 26 6.136 5.877 2.498 1.00 72.33 H new ATOM 0 HB3 ARG A 26 6.200 7.463 1.756 1.00 72.33 H new ATOM 0 HG2 ARG A 26 4.736 8.199 3.850 1.00 12.05 H new ATOM 0 HG3 ARG A 26 5.349 6.722 4.567 1.00 12.05 H new ATOM 0 HD2 ARG A 26 6.981 9.081 3.546 1.00 23.55 H new ATOM 0 HD3 ARG A 26 6.796 8.568 5.212 1.00 23.55 H new ATOM 0 HE ARG A 26 7.932 6.377 3.803 1.00 64.30 H new ATOM 0 HH11 ARG A 26 8.792 9.710 4.685 1.00 43.24 H new ATOM 0 HH12 ARG A 26 10.526 9.373 4.728 1.00 43.24 H new ATOM 0 HH21 ARG A 26 10.180 5.982 3.830 1.00 74.45 H new ATOM 0 HH22 ARG A 26 11.304 7.280 4.247 1.00 74.45 H new ATOM 448 N GLN A 27 4.164 8.559 0.377 1.00 62.13 N ATOM 449 CA GLN A 27 3.730 9.878 -0.120 1.00 1.40 C ATOM 450 C GLN A 27 2.285 9.821 -0.642 1.00 41.44 C ATOM 451 O GLN A 27 1.518 10.767 -0.458 1.00 30.42 O ATOM 452 CB GLN A 27 4.690 10.365 -1.240 1.00 20.04 C ATOM 453 CG GLN A 27 6.180 10.387 -0.836 1.00 22.24 C ATOM 454 CD GLN A 27 6.499 11.320 0.334 1.00 31.45 C ATOM 455 OE1 GLN A 27 5.885 12.373 0.496 1.00 41.03 O ATOM 456 NE2 GLN A 27 7.448 10.930 1.171 1.00 12.33 N ATOM 0 H GLN A 27 4.946 8.166 -0.147 1.00 62.13 H new ATOM 0 HA GLN A 27 3.762 10.586 0.709 1.00 1.40 H new ATOM 0 HB2 GLN A 27 4.571 9.719 -2.110 1.00 20.04 H new ATOM 0 HB3 GLN A 27 4.394 11.369 -1.545 1.00 20.04 H new ATOM 0 HG2 GLN A 27 6.489 9.375 -0.574 1.00 22.24 H new ATOM 0 HG3 GLN A 27 6.774 10.688 -1.699 1.00 22.24 H new ATOM 0 HE21 GLN A 27 7.940 10.051 1.010 1.00 12.33 H new ATOM 0 HE22 GLN A 27 7.687 11.508 1.976 1.00 12.33 H new ATOM 465 N LEU A 28 1.934 8.692 -1.288 1.00 5.13 N ATOM 466 CA LEU A 28 0.582 8.457 -1.831 1.00 24.31 C ATOM 467 C LEU A 28 -0.450 8.373 -0.683 1.00 31.01 C ATOM 468 O LEU A 28 -1.524 8.949 -0.776 1.00 2.53 O ATOM 469 CB LEU A 28 0.564 7.165 -2.701 1.00 43.12 C ATOM 470 CG LEU A 28 -0.799 6.801 -3.379 1.00 55.22 C ATOM 471 CD1 LEU A 28 -1.288 7.920 -4.334 1.00 4.23 C ATOM 472 CD2 LEU A 28 -0.717 5.430 -4.103 1.00 73.31 C ATOM 0 H LEU A 28 2.579 7.918 -1.448 1.00 5.13 H new ATOM 0 HA LEU A 28 0.308 9.296 -2.470 1.00 24.31 H new ATOM 0 HB2 LEU A 28 1.317 7.269 -3.482 1.00 43.12 H new ATOM 0 HB3 LEU A 28 0.868 6.327 -2.074 1.00 43.12 H new ATOM 0 HG LEU A 28 -1.542 6.714 -2.586 1.00 55.22 H new ATOM 0 HD11 LEU A 28 -2.237 7.626 -4.783 1.00 4.23 H new ATOM 0 HD12 LEU A 28 -1.423 8.844 -3.772 1.00 4.23 H new ATOM 0 HD13 LEU A 28 -0.548 8.077 -5.119 1.00 4.23 H new ATOM 0 HD21 LEU A 28 -1.678 5.204 -4.564 1.00 73.31 H new ATOM 0 HD22 LEU A 28 0.054 5.470 -4.872 1.00 73.31 H new ATOM 0 HD23 LEU A 28 -0.469 4.652 -3.381 1.00 73.31 H new ATOM 484 N PHE A 29 -0.087 7.681 0.411 1.00 31.21 N ATOM 485 CA PHE A 29 -0.965 7.510 1.588 1.00 43.35 C ATOM 486 C PHE A 29 -1.072 8.822 2.390 1.00 41.33 C ATOM 487 O PHE A 29 -2.148 9.146 2.909 1.00 52.02 O ATOM 488 CB PHE A 29 -0.452 6.362 2.492 1.00 64.23 C ATOM 489 CG PHE A 29 -0.475 4.973 1.846 1.00 33.55 C ATOM 490 CD1 PHE A 29 -1.651 4.463 1.301 1.00 14.02 C ATOM 491 CD2 PHE A 29 0.673 4.183 1.777 1.00 2.32 C ATOM 492 CE1 PHE A 29 -1.673 3.221 0.705 1.00 63.04 C ATOM 493 CE2 PHE A 29 0.648 2.941 1.177 1.00 73.30 C ATOM 494 CZ PHE A 29 -0.525 2.459 0.643 1.00 3.51 C ATOM 0 H PHE A 29 0.820 7.225 0.507 1.00 31.21 H new ATOM 0 HA PHE A 29 -1.960 7.248 1.230 1.00 43.35 H new ATOM 0 HB2 PHE A 29 0.570 6.588 2.797 1.00 64.23 H new ATOM 0 HB3 PHE A 29 -1.057 6.335 3.399 1.00 64.23 H new ATOM 0 HD1 PHE A 29 -2.557 5.049 1.346 1.00 14.02 H new ATOM 0 HD2 PHE A 29 1.596 4.550 2.200 1.00 2.32 H new ATOM 0 HE1 PHE A 29 -2.593 2.843 0.285 1.00 63.04 H new ATOM 0 HE2 PHE A 29 1.549 2.347 1.126 1.00 73.30 H new ATOM 0 HZ PHE A 29 -0.547 1.485 0.176 1.00 3.51 H new ATOM 504 N GLU A 30 0.059 9.562 2.488 1.00 23.42 N ATOM 505 CA GLU A 30 0.111 10.901 3.128 1.00 41.43 C ATOM 506 C GLU A 30 -0.788 11.882 2.371 1.00 45.14 C ATOM 507 O GLU A 30 -1.402 12.762 2.966 1.00 71.13 O ATOM 508 CB GLU A 30 1.568 11.458 3.171 1.00 74.22 C ATOM 509 CG GLU A 30 2.534 10.713 4.115 1.00 24.54 C ATOM 510 CD GLU A 30 3.941 11.340 4.158 1.00 21.43 C ATOM 511 OE1 GLU A 30 4.179 12.229 5.009 1.00 53.11 O ATOM 512 OE2 GLU A 30 4.814 10.950 3.351 1.00 32.22 O ATOM 0 H GLU A 30 0.960 9.249 2.127 1.00 23.42 H new ATOM 0 HA GLU A 30 -0.244 10.791 4.153 1.00 41.43 H new ATOM 0 HB2 GLU A 30 1.979 11.430 2.162 1.00 74.22 H new ATOM 0 HB3 GLU A 30 1.530 12.505 3.471 1.00 74.22 H new ATOM 0 HG2 GLU A 30 2.115 10.705 5.121 1.00 24.54 H new ATOM 0 HG3 GLU A 30 2.615 9.674 3.796 1.00 24.54 H new ATOM 519 N GLU A 31 -0.838 11.704 1.049 1.00 20.13 N ATOM 520 CA GLU A 31 -1.665 12.507 0.155 1.00 55.35 C ATOM 521 C GLU A 31 -3.153 12.172 0.367 1.00 74.15 C ATOM 522 O GLU A 31 -3.921 13.047 0.713 1.00 3.43 O ATOM 523 CB GLU A 31 -1.228 12.255 -1.302 1.00 71.21 C ATOM 524 CG GLU A 31 -2.048 12.987 -2.367 1.00 73.25 C ATOM 525 CD GLU A 31 -1.514 12.714 -3.772 1.00 35.32 C ATOM 526 OE1 GLU A 31 -1.633 11.558 -4.235 1.00 55.43 O ATOM 527 OE2 GLU A 31 -0.946 13.634 -4.410 1.00 4.35 O ATOM 0 H GLU A 31 -0.296 10.987 0.566 1.00 20.13 H new ATOM 0 HA GLU A 31 -1.533 13.566 0.376 1.00 55.35 H new ATOM 0 HB2 GLU A 31 -0.183 12.548 -1.406 1.00 71.21 H new ATOM 0 HB3 GLU A 31 -1.280 11.184 -1.499 1.00 71.21 H new ATOM 0 HG2 GLU A 31 -3.090 12.672 -2.305 1.00 73.25 H new ATOM 0 HG3 GLU A 31 -2.027 14.059 -2.171 1.00 73.25 H new ATOM 534 N LEU A 32 -3.512 10.879 0.232 1.00 34.02 N ATOM 535 CA LEU A 32 -4.913 10.377 0.339 1.00 14.54 C ATOM 536 C LEU A 32 -5.495 10.576 1.758 1.00 73.22 C ATOM 537 O LEU A 32 -6.716 10.539 1.950 1.00 1.41 O ATOM 538 CB LEU A 32 -4.974 8.877 -0.074 1.00 52.45 C ATOM 539 CG LEU A 32 -4.538 8.547 -1.541 1.00 13.21 C ATOM 540 CD1 LEU A 32 -4.449 7.016 -1.768 1.00 30.40 C ATOM 541 CD2 LEU A 32 -5.472 9.234 -2.572 1.00 54.14 C ATOM 0 H LEU A 32 -2.836 10.139 0.043 1.00 34.02 H new ATOM 0 HA LEU A 32 -5.529 10.963 -0.344 1.00 14.54 H new ATOM 0 HB2 LEU A 32 -4.342 8.308 0.608 1.00 52.45 H new ATOM 0 HB3 LEU A 32 -5.995 8.524 0.068 1.00 52.45 H new ATOM 0 HG LEU A 32 -3.538 8.953 -1.694 1.00 13.21 H new ATOM 0 HD11 LEU A 32 -4.144 6.818 -2.796 1.00 30.40 H new ATOM 0 HD12 LEU A 32 -3.717 6.589 -1.083 1.00 30.40 H new ATOM 0 HD13 LEU A 32 -5.424 6.564 -1.585 1.00 30.40 H new ATOM 0 HD21 LEU A 32 -5.144 8.986 -3.582 1.00 54.14 H new ATOM 0 HD22 LEU A 32 -6.494 8.885 -2.426 1.00 54.14 H new ATOM 0 HD23 LEU A 32 -5.435 10.314 -2.433 1.00 54.14 H new ATOM 553 N HIS A 33 -4.604 10.797 2.739 1.00 71.31 N ATOM 554 CA HIS A 33 -4.969 11.161 4.129 1.00 0.11 C ATOM 555 C HIS A 33 -5.811 12.477 4.188 1.00 11.50 C ATOM 556 O HIS A 33 -6.514 12.718 5.176 1.00 62.21 O ATOM 557 CB HIS A 33 -3.663 11.282 4.964 1.00 14.22 C ATOM 558 CG HIS A 33 -3.855 11.641 6.415 1.00 61.45 C ATOM 559 ND1 HIS A 33 -3.559 12.882 6.923 1.00 14.35 N ATOM 560 CD2 HIS A 33 -4.321 10.917 7.458 1.00 2.24 C ATOM 561 CE1 HIS A 33 -3.829 12.907 8.205 1.00 50.22 C ATOM 562 NE2 HIS A 33 -4.293 11.728 8.560 1.00 62.23 N ATOM 0 H HIS A 33 -3.597 10.728 2.593 1.00 71.31 H new ATOM 0 HA HIS A 33 -5.603 10.380 4.549 1.00 0.11 H new ATOM 0 HB2 HIS A 33 -3.128 10.334 4.909 1.00 14.22 H new ATOM 0 HB3 HIS A 33 -3.025 12.035 4.502 1.00 14.22 H new ATOM 0 HD2 HIS A 33 -4.653 9.890 7.427 1.00 2.24 H new ATOM 0 HE1 HIS A 33 -3.693 13.754 8.861 1.00 50.22 H new ATOM 0 HE2 HIS A 33 -4.584 11.462 9.501 1.00 62.23 H new ATOM 571 N GLU A 34 -5.722 13.306 3.111 1.00 2.32 N ATOM 572 CA GLU A 34 -6.523 14.557 2.929 1.00 71.00 C ATOM 573 C GLU A 34 -8.042 14.279 3.002 1.00 5.15 C ATOM 574 O GLU A 34 -8.806 15.064 3.570 1.00 70.02 O ATOM 575 CB GLU A 34 -6.191 15.225 1.544 1.00 30.45 C ATOM 576 CG GLU A 34 -6.588 14.368 0.312 1.00 34.43 C ATOM 577 CD GLU A 34 -6.212 14.957 -1.053 1.00 71.41 C ATOM 578 OE1 GLU A 34 -5.007 15.100 -1.344 1.00 73.03 O ATOM 579 OE2 GLU A 34 -7.120 15.238 -1.869 1.00 33.52 O ATOM 0 H GLU A 34 -5.086 13.125 2.334 1.00 2.32 H new ATOM 0 HA GLU A 34 -6.253 15.232 3.741 1.00 71.00 H new ATOM 0 HB2 GLU A 34 -6.703 16.185 1.485 1.00 30.45 H new ATOM 0 HB3 GLU A 34 -5.122 15.431 1.500 1.00 30.45 H new ATOM 0 HG2 GLU A 34 -6.119 13.389 0.407 1.00 34.43 H new ATOM 0 HG3 GLU A 34 -7.666 14.209 0.335 1.00 34.43 H new ATOM 586 N ARG A 35 -8.442 13.139 2.421 1.00 41.51 N ATOM 587 CA ARG A 35 -9.852 12.783 2.174 1.00 11.22 C ATOM 588 C ARG A 35 -10.265 11.592 3.045 1.00 53.44 C ATOM 589 O ARG A 35 -11.464 11.380 3.287 1.00 63.34 O ATOM 590 CB ARG A 35 -10.036 12.497 0.655 1.00 42.03 C ATOM 591 CG ARG A 35 -9.092 11.414 0.056 1.00 0.30 C ATOM 592 CD ARG A 35 -8.734 11.658 -1.429 1.00 53.31 C ATOM 593 NE ARG A 35 -9.924 11.867 -2.282 1.00 51.34 N ATOM 594 CZ ARG A 35 -10.064 12.840 -3.207 1.00 23.41 C ATOM 595 NH1 ARG A 35 -9.090 13.720 -3.437 1.00 75.42 N ATOM 596 NH2 ARG A 35 -11.190 12.917 -3.895 1.00 30.54 N ATOM 0 H ARG A 35 -7.787 12.425 2.103 1.00 41.51 H new ATOM 0 HA ARG A 35 -10.505 13.611 2.450 1.00 11.22 H new ATOM 0 HB2 ARG A 35 -11.068 12.189 0.484 1.00 42.03 H new ATOM 0 HB3 ARG A 35 -9.886 13.427 0.107 1.00 42.03 H new ATOM 0 HG2 ARG A 35 -8.173 11.380 0.642 1.00 0.30 H new ATOM 0 HG3 ARG A 35 -9.567 10.437 0.151 1.00 0.30 H new ATOM 0 HD2 ARG A 35 -8.084 12.530 -1.502 1.00 53.31 H new ATOM 0 HD3 ARG A 35 -8.169 10.806 -1.806 1.00 53.31 H new ATOM 0 HE ARG A 35 -10.705 11.222 -2.161 1.00 51.34 H new ATOM 0 HH11 ARG A 35 -8.219 13.666 -2.910 1.00 75.42 H new ATOM 0 HH12 ARG A 35 -9.216 14.448 -4.141 1.00 75.42 H new ATOM 0 HH21 ARG A 35 -11.939 12.246 -3.724 1.00 30.54 H new ATOM 0 HH22 ARG A 35 -11.310 13.647 -4.597 1.00 30.54 H new ATOM 610 N GLY A 36 -9.250 10.836 3.520 1.00 14.44 N ATOM 611 CA GLY A 36 -9.449 9.682 4.391 1.00 54.52 C ATOM 612 C GLY A 36 -10.337 8.614 3.779 1.00 72.31 C ATOM 613 O GLY A 36 -11.159 8.006 4.473 1.00 14.03 O ATOM 0 H GLY A 36 -8.270 11.019 3.303 1.00 14.44 H new ATOM 0 HA2 GLY A 36 -8.480 9.245 4.631 1.00 54.52 H new ATOM 0 HA3 GLY A 36 -9.889 10.016 5.330 1.00 54.52 H new ATOM 617 N THR A 37 -10.184 8.410 2.462 1.00 11.32 N ATOM 618 CA THR A 37 -10.939 7.399 1.721 1.00 4.11 C ATOM 619 C THR A 37 -10.504 5.987 2.121 1.00 42.53 C ATOM 620 O THR A 37 -9.370 5.786 2.570 1.00 62.55 O ATOM 621 CB THR A 37 -10.774 7.592 0.174 1.00 71.23 C ATOM 622 OG1 THR A 37 -9.391 7.821 -0.158 1.00 14.42 O ATOM 623 CG2 THR A 37 -11.619 8.766 -0.345 1.00 43.02 C ATOM 0 H THR A 37 -9.533 8.943 1.885 1.00 11.32 H new ATOM 0 HA THR A 37 -11.991 7.525 1.976 1.00 4.11 H new ATOM 0 HB THR A 37 -11.123 6.677 -0.305 1.00 71.23 H new ATOM 0 HG1 THR A 37 -9.302 7.938 -1.127 1.00 14.42 H new ATOM 0 HG21 THR A 37 -11.478 8.868 -1.421 1.00 43.02 H new ATOM 0 HG22 THR A 37 -12.672 8.578 -0.133 1.00 43.02 H new ATOM 0 HG23 THR A 37 -11.307 9.686 0.151 1.00 43.02 H new ATOM 631 N GLU A 38 -11.421 5.020 1.962 1.00 14.23 N ATOM 632 CA GLU A 38 -11.134 3.612 2.228 1.00 75.14 C ATOM 633 C GLU A 38 -10.150 3.076 1.161 1.00 14.42 C ATOM 634 O GLU A 38 -10.508 2.831 0.001 1.00 32.43 O ATOM 635 CB GLU A 38 -12.449 2.787 2.333 1.00 30.25 C ATOM 636 CG GLU A 38 -13.421 2.915 1.140 1.00 73.43 C ATOM 637 CD GLU A 38 -14.731 2.149 1.369 1.00 44.31 C ATOM 638 OE1 GLU A 38 -14.731 0.904 1.252 1.00 4.31 O ATOM 639 OE2 GLU A 38 -15.759 2.784 1.702 1.00 64.51 O ATOM 0 H GLU A 38 -12.375 5.196 1.647 1.00 14.23 H new ATOM 0 HA GLU A 38 -10.645 3.507 3.197 1.00 75.14 H new ATOM 0 HB2 GLU A 38 -12.187 1.736 2.453 1.00 30.25 H new ATOM 0 HB3 GLU A 38 -12.974 3.090 3.239 1.00 30.25 H new ATOM 0 HG2 GLU A 38 -13.644 3.968 0.968 1.00 73.43 H new ATOM 0 HG3 GLU A 38 -12.937 2.540 0.238 1.00 73.43 H new ATOM 646 N ILE A 39 -8.885 2.971 1.580 1.00 35.01 N ATOM 647 CA ILE A 39 -7.774 2.516 0.761 1.00 4.21 C ATOM 648 C ILE A 39 -7.607 0.998 0.948 1.00 61.53 C ATOM 649 O ILE A 39 -7.268 0.527 2.041 1.00 54.04 O ATOM 650 CB ILE A 39 -6.436 3.238 1.185 1.00 61.24 C ATOM 651 CG1 ILE A 39 -6.591 4.796 1.192 1.00 35.52 C ATOM 652 CG2 ILE A 39 -5.274 2.803 0.274 1.00 23.23 C ATOM 653 CD1 ILE A 39 -5.389 5.553 1.741 1.00 40.52 C ATOM 0 H ILE A 39 -8.605 3.210 2.531 1.00 35.01 H new ATOM 0 HA ILE A 39 -7.984 2.752 -0.282 1.00 4.21 H new ATOM 0 HB ILE A 39 -6.207 2.934 2.206 1.00 61.24 H new ATOM 0 HG12 ILE A 39 -6.781 5.133 0.173 1.00 35.52 H new ATOM 0 HG13 ILE A 39 -7.469 5.057 1.783 1.00 35.52 H new ATOM 0 HG21 ILE A 39 -4.360 3.311 0.582 1.00 23.23 H new ATOM 0 HG22 ILE A 39 -5.134 1.725 0.353 1.00 23.23 H new ATOM 0 HG23 ILE A 39 -5.504 3.064 -0.759 1.00 23.23 H new ATOM 0 HD11 ILE A 39 -5.587 6.624 1.707 1.00 40.52 H new ATOM 0 HD12 ILE A 39 -5.208 5.250 2.772 1.00 40.52 H new ATOM 0 HD13 ILE A 39 -4.510 5.327 1.137 1.00 40.52 H new ATOM 665 N VAL A 40 -7.877 0.242 -0.120 1.00 1.24 N ATOM 666 CA VAL A 40 -7.731 -1.209 -0.144 1.00 11.11 C ATOM 667 C VAL A 40 -6.422 -1.522 -0.874 1.00 62.31 C ATOM 668 O VAL A 40 -6.349 -1.428 -2.106 1.00 73.54 O ATOM 669 CB VAL A 40 -8.952 -1.911 -0.856 1.00 62.51 C ATOM 670 CG1 VAL A 40 -8.836 -3.454 -0.776 1.00 60.41 C ATOM 671 CG2 VAL A 40 -10.304 -1.404 -0.280 1.00 45.42 C ATOM 0 H VAL A 40 -8.208 0.630 -1.003 1.00 1.24 H new ATOM 0 HA VAL A 40 -7.710 -1.595 0.875 1.00 11.11 H new ATOM 0 HB VAL A 40 -8.926 -1.639 -1.911 1.00 62.51 H new ATOM 0 HG11 VAL A 40 -9.691 -3.910 -1.275 1.00 60.41 H new ATOM 0 HG12 VAL A 40 -7.917 -3.776 -1.265 1.00 60.41 H new ATOM 0 HG13 VAL A 40 -8.818 -3.764 0.269 1.00 60.41 H new ATOM 0 HG21 VAL A 40 -11.127 -1.905 -0.789 1.00 45.42 H new ATOM 0 HG22 VAL A 40 -10.350 -1.623 0.787 1.00 45.42 H new ATOM 0 HG23 VAL A 40 -10.384 -0.328 -0.433 1.00 45.42 H new ATOM 681 N VAL A 41 -5.389 -1.861 -0.100 1.00 63.34 N ATOM 682 CA VAL A 41 -4.063 -2.207 -0.609 1.00 3.31 C ATOM 683 C VAL A 41 -4.001 -3.719 -0.773 1.00 32.32 C ATOM 684 O VAL A 41 -4.030 -4.461 0.216 1.00 45.20 O ATOM 685 CB VAL A 41 -2.931 -1.693 0.351 1.00 40.03 C ATOM 686 CG1 VAL A 41 -1.516 -2.082 -0.154 1.00 74.32 C ATOM 687 CG2 VAL A 41 -3.059 -0.165 0.558 1.00 14.01 C ATOM 0 H VAL A 41 -5.453 -1.903 0.917 1.00 63.34 H new ATOM 0 HA VAL A 41 -3.898 -1.722 -1.571 1.00 3.31 H new ATOM 0 HB VAL A 41 -3.061 -2.185 1.315 1.00 40.03 H new ATOM 0 HG11 VAL A 41 -0.765 -1.706 0.541 1.00 74.32 H new ATOM 0 HG12 VAL A 41 -1.439 -3.167 -0.219 1.00 74.32 H new ATOM 0 HG13 VAL A 41 -1.349 -1.647 -1.139 1.00 74.32 H new ATOM 0 HG21 VAL A 41 -2.269 0.179 1.225 1.00 14.01 H new ATOM 0 HG22 VAL A 41 -2.969 0.341 -0.403 1.00 14.01 H new ATOM 0 HG23 VAL A 41 -4.030 0.062 0.998 1.00 14.01 H new ATOM 697 N GLU A 42 -3.951 -4.159 -2.024 1.00 75.04 N ATOM 698 CA GLU A 42 -3.990 -5.558 -2.399 1.00 22.11 C ATOM 699 C GLU A 42 -2.625 -5.951 -2.967 1.00 51.03 C ATOM 700 O GLU A 42 -2.280 -5.577 -4.094 1.00 55.11 O ATOM 701 CB GLU A 42 -5.114 -5.758 -3.443 1.00 51.23 C ATOM 702 CG GLU A 42 -5.359 -7.209 -3.854 1.00 1.11 C ATOM 703 CD GLU A 42 -5.795 -8.100 -2.687 1.00 24.21 C ATOM 704 OE1 GLU A 42 -5.023 -8.999 -2.272 1.00 73.20 O ATOM 705 OE2 GLU A 42 -6.920 -7.901 -2.186 1.00 14.25 O ATOM 0 H GLU A 42 -3.880 -3.531 -2.825 1.00 75.04 H new ATOM 0 HA GLU A 42 -4.201 -6.192 -1.538 1.00 22.11 H new ATOM 0 HB2 GLU A 42 -6.041 -5.348 -3.041 1.00 51.23 H new ATOM 0 HB3 GLU A 42 -4.870 -5.180 -4.334 1.00 51.23 H new ATOM 0 HG2 GLU A 42 -6.125 -7.236 -4.629 1.00 1.11 H new ATOM 0 HG3 GLU A 42 -4.447 -7.615 -4.292 1.00 1.11 H new ATOM 712 N VAL A 43 -1.856 -6.695 -2.180 1.00 14.13 N ATOM 713 CA VAL A 43 -0.521 -7.169 -2.567 1.00 50.21 C ATOM 714 C VAL A 43 -0.691 -8.525 -3.257 1.00 71.13 C ATOM 715 O VAL A 43 -1.452 -9.344 -2.776 1.00 3.31 O ATOM 716 CB VAL A 43 0.425 -7.296 -1.309 1.00 21.02 C ATOM 717 CG1 VAL A 43 1.875 -7.663 -1.718 1.00 64.02 C ATOM 718 CG2 VAL A 43 0.375 -5.999 -0.451 1.00 71.22 C ATOM 0 H VAL A 43 -2.139 -6.992 -1.246 1.00 14.13 H new ATOM 0 HA VAL A 43 -0.053 -6.454 -3.244 1.00 50.21 H new ATOM 0 HB VAL A 43 0.057 -8.116 -0.693 1.00 21.02 H new ATOM 0 HG11 VAL A 43 2.496 -7.741 -0.826 1.00 64.02 H new ATOM 0 HG12 VAL A 43 1.874 -8.617 -2.244 1.00 64.02 H new ATOM 0 HG13 VAL A 43 2.276 -6.888 -2.372 1.00 64.02 H new ATOM 0 HG21 VAL A 43 1.034 -6.107 0.411 1.00 71.22 H new ATOM 0 HG22 VAL A 43 0.702 -5.151 -1.053 1.00 71.22 H new ATOM 0 HG23 VAL A 43 -0.646 -5.828 -0.108 1.00 71.22 H new ATOM 728 N HIS A 44 -0.018 -8.727 -4.396 1.00 43.13 N ATOM 729 CA HIS A 44 -0.091 -9.965 -5.202 1.00 61.54 C ATOM 730 C HIS A 44 1.336 -10.432 -5.521 1.00 4.25 C ATOM 731 O HIS A 44 2.032 -9.776 -6.301 1.00 63.02 O ATOM 732 CB HIS A 44 -0.865 -9.729 -6.535 1.00 21.40 C ATOM 733 CG HIS A 44 -2.349 -9.500 -6.422 1.00 4.23 C ATOM 734 ND1 HIS A 44 -3.107 -9.019 -7.466 1.00 45.22 N ATOM 735 CD2 HIS A 44 -3.219 -9.751 -5.421 1.00 60.43 C ATOM 736 CE1 HIS A 44 -4.371 -8.988 -7.111 1.00 51.10 C ATOM 737 NE2 HIS A 44 -4.467 -9.423 -5.877 1.00 13.11 N ATOM 0 H HIS A 44 0.606 -8.026 -4.796 1.00 43.13 H new ATOM 0 HA HIS A 44 -0.625 -10.723 -4.629 1.00 61.54 H new ATOM 0 HB2 HIS A 44 -0.425 -8.867 -7.037 1.00 21.40 H new ATOM 0 HB3 HIS A 44 -0.702 -10.592 -7.181 1.00 21.40 H new ATOM 0 HD1 HIS A 44 -2.743 -8.731 -8.374 1.00 45.22 H new ATOM 0 HD2 HIS A 44 -2.976 -10.138 -4.443 1.00 60.43 H new ATOM 0 HE1 HIS A 44 -5.193 -8.660 -7.730 1.00 51.10 H new ATOM 746 N ILE A 45 1.776 -11.540 -4.896 1.00 50.30 N ATOM 747 CA ILE A 45 3.132 -12.101 -5.080 1.00 25.41 C ATOM 748 C ILE A 45 3.056 -13.635 -5.159 1.00 63.32 C ATOM 749 O ILE A 45 2.996 -14.309 -4.129 1.00 52.25 O ATOM 750 CB ILE A 45 4.124 -11.659 -3.911 1.00 65.43 C ATOM 751 CG1 ILE A 45 4.307 -10.107 -3.908 1.00 44.11 C ATOM 752 CG2 ILE A 45 5.507 -12.376 -3.995 1.00 31.05 C ATOM 753 CD1 ILE A 45 5.332 -9.589 -2.927 1.00 51.53 C ATOM 0 H ILE A 45 1.200 -12.075 -4.246 1.00 50.30 H new ATOM 0 HA ILE A 45 3.531 -11.706 -6.014 1.00 25.41 H new ATOM 0 HB ILE A 45 3.666 -11.966 -2.971 1.00 65.43 H new ATOM 0 HG12 ILE A 45 4.591 -9.787 -4.911 1.00 44.11 H new ATOM 0 HG13 ILE A 45 3.346 -9.643 -3.686 1.00 44.11 H new ATOM 0 HG21 ILE A 45 6.142 -12.038 -3.176 1.00 31.05 H new ATOM 0 HG22 ILE A 45 5.363 -13.454 -3.922 1.00 31.05 H new ATOM 0 HG23 ILE A 45 5.983 -12.137 -4.946 1.00 31.05 H new ATOM 0 HD11 ILE A 45 5.388 -8.503 -2.999 1.00 51.53 H new ATOM 0 HD12 ILE A 45 5.042 -9.872 -1.915 1.00 51.53 H new ATOM 0 HD13 ILE A 45 6.307 -10.018 -3.159 1.00 51.53 H new ATOM 765 N ASN A 46 3.046 -14.161 -6.400 1.00 72.35 N ATOM 766 CA ASN A 46 3.194 -15.611 -6.708 1.00 62.13 C ATOM 767 C ASN A 46 2.139 -16.510 -6.008 1.00 23.14 C ATOM 768 O ASN A 46 2.375 -17.703 -5.785 1.00 52.32 O ATOM 769 CB ASN A 46 4.641 -16.076 -6.367 1.00 54.33 C ATOM 770 CG ASN A 46 5.693 -15.370 -7.219 1.00 72.31 C ATOM 771 OD1 ASN A 46 6.087 -14.173 -6.807 1.00 12.21 O flip ATOM 772 ND2 ASN A 46 6.129 -15.880 -8.246 1.00 35.44 N flip ATOM 0 H ASN A 46 2.933 -13.587 -7.235 1.00 72.35 H new ATOM 0 HA ASN A 46 3.011 -15.728 -7.776 1.00 62.13 H new ATOM 0 HB2 ASN A 46 4.843 -15.885 -5.313 1.00 54.33 H new ATOM 0 HB3 ASN A 46 4.719 -17.153 -6.516 1.00 54.33 H new ATOM 0 HD21 ASN A 46 5.805 -16.803 -8.535 1.00 35.44 H new ATOM 0 HD22 ASN A 46 6.816 -15.381 -8.811 1.00 35.44 H new ATOM 779 N GLY A 47 0.967 -15.931 -5.711 1.00 3.42 N ATOM 780 CA GLY A 47 -0.126 -16.639 -5.031 1.00 62.25 C ATOM 781 C GLY A 47 -0.446 -16.023 -3.680 1.00 61.02 C ATOM 782 O GLY A 47 -1.577 -16.131 -3.199 1.00 31.21 O ATOM 0 H GLY A 47 0.751 -14.960 -5.935 1.00 3.42 H new ATOM 0 HA2 GLY A 47 -1.017 -16.620 -5.659 1.00 62.25 H new ATOM 0 HA3 GLY A 47 0.147 -17.686 -4.897 1.00 62.25 H new ATOM 786 N GLU A 48 0.556 -15.380 -3.064 1.00 4.31 N ATOM 787 CA GLU A 48 0.391 -14.680 -1.785 1.00 32.11 C ATOM 788 C GLU A 48 -0.278 -13.333 -2.019 1.00 33.11 C ATOM 789 O GLU A 48 0.339 -12.402 -2.544 1.00 12.24 O ATOM 790 CB GLU A 48 1.762 -14.503 -1.068 1.00 24.34 C ATOM 791 CG GLU A 48 2.249 -15.761 -0.336 1.00 35.05 C ATOM 792 CD GLU A 48 1.291 -16.168 0.797 1.00 51.31 C ATOM 793 OE1 GLU A 48 0.579 -17.191 0.674 1.00 41.41 O ATOM 794 OE2 GLU A 48 1.230 -15.451 1.814 1.00 72.20 O ATOM 0 H GLU A 48 1.503 -15.331 -3.439 1.00 4.31 H new ATOM 0 HA GLU A 48 -0.246 -15.280 -1.135 1.00 32.11 H new ATOM 0 HB2 GLU A 48 2.511 -14.210 -1.804 1.00 24.34 H new ATOM 0 HB3 GLU A 48 1.683 -13.685 -0.351 1.00 24.34 H new ATOM 0 HG2 GLU A 48 2.342 -16.582 -1.047 1.00 35.05 H new ATOM 0 HG3 GLU A 48 3.243 -15.581 0.075 1.00 35.05 H new ATOM 801 N ARG A 49 -1.556 -13.242 -1.623 1.00 12.41 N ATOM 802 CA ARG A 49 -2.324 -12.010 -1.705 1.00 23.10 C ATOM 803 C ARG A 49 -2.601 -11.494 -0.299 1.00 42.11 C ATOM 804 O ARG A 49 -2.668 -12.289 0.655 1.00 13.42 O ATOM 805 CB ARG A 49 -3.626 -12.207 -2.514 1.00 43.00 C ATOM 806 CG ARG A 49 -4.723 -13.050 -1.832 1.00 64.22 C ATOM 807 CD ARG A 49 -5.947 -13.217 -2.746 1.00 30.24 C ATOM 808 NE ARG A 49 -7.122 -13.753 -2.043 1.00 42.01 N ATOM 809 CZ ARG A 49 -8.276 -14.080 -2.639 1.00 44.14 C ATOM 810 NH1 ARG A 49 -8.420 -13.958 -3.956 1.00 53.05 N ATOM 811 NH2 ARG A 49 -9.295 -14.505 -1.908 1.00 20.24 N ATOM 0 H ARG A 49 -2.079 -14.028 -1.237 1.00 12.41 H new ATOM 0 HA ARG A 49 -1.740 -11.262 -2.241 1.00 23.10 H new ATOM 0 HB2 ARG A 49 -4.040 -11.225 -2.744 1.00 43.00 H new ATOM 0 HB3 ARG A 49 -3.373 -12.677 -3.464 1.00 43.00 H new ATOM 0 HG2 ARG A 49 -4.323 -14.030 -1.573 1.00 64.22 H new ATOM 0 HG3 ARG A 49 -5.025 -12.573 -0.900 1.00 64.22 H new ATOM 0 HD2 ARG A 49 -6.201 -12.251 -3.183 1.00 30.24 H new ATOM 0 HD3 ARG A 49 -5.690 -13.882 -3.570 1.00 30.24 H new ATOM 0 HE ARG A 49 -7.054 -13.885 -1.034 1.00 42.01 H new ATOM 0 HH11 ARG A 49 -7.646 -13.612 -4.524 1.00 53.05 H new ATOM 0 HH12 ARG A 49 -9.304 -14.210 -4.398 1.00 53.05 H new ATOM 0 HH21 ARG A 49 -9.199 -14.582 -0.895 1.00 20.24 H new ATOM 0 HH22 ARG A 49 -10.176 -14.755 -2.357 1.00 20.24 H new ATOM 825 N ASP A 50 -2.737 -10.171 -0.160 1.00 40.24 N ATOM 826 CA ASP A 50 -2.919 -9.530 1.148 1.00 61.11 C ATOM 827 C ASP A 50 -3.822 -8.297 0.985 1.00 63.42 C ATOM 828 O ASP A 50 -3.435 -7.333 0.321 1.00 31.34 O ATOM 829 CB ASP A 50 -1.524 -9.147 1.731 1.00 74.51 C ATOM 830 CG ASP A 50 -1.529 -8.948 3.254 1.00 71.10 C ATOM 831 OD1 ASP A 50 -1.813 -7.836 3.724 1.00 1.35 O ATOM 832 OD2 ASP A 50 -1.248 -9.922 3.998 1.00 33.34 O ATOM 0 H ASP A 50 -2.724 -9.518 -0.944 1.00 40.24 H new ATOM 0 HA ASP A 50 -3.401 -10.214 1.846 1.00 61.11 H new ATOM 0 HB2 ASP A 50 -0.806 -9.927 1.477 1.00 74.51 H new ATOM 0 HB3 ASP A 50 -1.179 -8.230 1.254 1.00 74.51 H new ATOM 837 N GLU A 51 -5.019 -8.346 1.593 1.00 34.04 N ATOM 838 CA GLU A 51 -6.046 -7.293 1.479 1.00 72.24 C ATOM 839 C GLU A 51 -6.063 -6.443 2.762 1.00 44.12 C ATOM 840 O GLU A 51 -6.515 -6.913 3.817 1.00 40.32 O ATOM 841 CB GLU A 51 -7.433 -7.959 1.257 1.00 33.54 C ATOM 842 CG GLU A 51 -8.623 -6.982 1.150 1.00 51.10 C ATOM 843 CD GLU A 51 -9.986 -7.697 1.056 1.00 10.40 C ATOM 844 OE1 GLU A 51 -10.499 -8.168 2.098 1.00 50.52 O ATOM 845 OE2 GLU A 51 -10.549 -7.805 -0.052 1.00 11.33 O ATOM 0 H GLU A 51 -5.305 -9.126 2.184 1.00 34.04 H new ATOM 0 HA GLU A 51 -5.818 -6.644 0.634 1.00 72.24 H new ATOM 0 HB2 GLU A 51 -7.390 -8.555 0.345 1.00 33.54 H new ATOM 0 HB3 GLU A 51 -7.623 -8.648 2.080 1.00 33.54 H new ATOM 0 HG2 GLU A 51 -8.624 -6.324 2.019 1.00 51.10 H new ATOM 0 HG3 GLU A 51 -8.489 -6.351 0.272 1.00 51.10 H new ATOM 852 N ILE A 52 -5.557 -5.204 2.680 1.00 30.20 N ATOM 853 CA ILE A 52 -5.528 -4.275 3.822 1.00 23.21 C ATOM 854 C ILE A 52 -6.495 -3.121 3.533 1.00 65.24 C ATOM 855 O ILE A 52 -6.206 -2.269 2.688 1.00 61.25 O ATOM 856 CB ILE A 52 -4.083 -3.681 4.071 1.00 43.11 C ATOM 857 CG1 ILE A 52 -2.974 -4.766 3.877 1.00 20.44 C ATOM 858 CG2 ILE A 52 -3.994 -3.041 5.485 1.00 64.02 C ATOM 859 CD1 ILE A 52 -1.561 -4.214 3.780 1.00 53.14 C ATOM 0 H ILE A 52 -5.158 -4.818 1.825 1.00 30.20 H new ATOM 0 HA ILE A 52 -5.819 -4.826 4.716 1.00 23.21 H new ATOM 0 HB ILE A 52 -3.909 -2.903 3.328 1.00 43.11 H new ATOM 0 HG12 ILE A 52 -3.020 -5.467 4.710 1.00 20.44 H new ATOM 0 HG13 ILE A 52 -3.192 -5.332 2.972 1.00 20.44 H new ATOM 0 HG21 ILE A 52 -2.993 -2.637 5.639 1.00 64.02 H new ATOM 0 HG22 ILE A 52 -4.726 -2.238 5.567 1.00 64.02 H new ATOM 0 HG23 ILE A 52 -4.200 -3.799 6.241 1.00 64.02 H new ATOM 0 HD11 ILE A 52 -0.858 -5.036 3.647 1.00 53.14 H new ATOM 0 HD12 ILE A 52 -1.493 -3.536 2.929 1.00 53.14 H new ATOM 0 HD13 ILE A 52 -1.318 -3.673 4.695 1.00 53.14 H new ATOM 871 N ARG A 53 -7.636 -3.097 4.223 1.00 2.51 N ATOM 872 CA ARG A 53 -8.623 -2.025 4.075 1.00 51.31 C ATOM 873 C ARG A 53 -8.460 -1.053 5.253 1.00 72.33 C ATOM 874 O ARG A 53 -8.849 -1.356 6.388 1.00 63.32 O ATOM 875 CB ARG A 53 -10.053 -2.619 4.027 1.00 21.34 C ATOM 876 CG ARG A 53 -10.238 -3.733 2.969 1.00 33.43 C ATOM 877 CD ARG A 53 -11.650 -4.346 3.000 1.00 34.01 C ATOM 878 NE ARG A 53 -12.005 -4.860 4.344 1.00 22.02 N ATOM 879 CZ ARG A 53 -12.664 -6.001 4.595 1.00 44.05 C ATOM 880 NH1 ARG A 53 -13.065 -6.788 3.603 1.00 65.12 N ATOM 881 NH2 ARG A 53 -12.926 -6.339 5.850 1.00 14.11 N ATOM 0 H ARG A 53 -7.902 -3.815 4.897 1.00 2.51 H new ATOM 0 HA ARG A 53 -8.463 -1.487 3.141 1.00 51.31 H new ATOM 0 HB2 ARG A 53 -10.301 -3.021 5.009 1.00 21.34 H new ATOM 0 HB3 ARG A 53 -10.762 -1.817 3.822 1.00 21.34 H new ATOM 0 HG2 ARG A 53 -10.045 -3.324 1.977 1.00 33.43 H new ATOM 0 HG3 ARG A 53 -9.501 -4.518 3.139 1.00 33.43 H new ATOM 0 HD2 ARG A 53 -12.378 -3.594 2.696 1.00 34.01 H new ATOM 0 HD3 ARG A 53 -11.708 -5.158 2.275 1.00 34.01 H new ATOM 0 HE ARG A 53 -11.724 -4.298 5.147 1.00 22.02 H new ATOM 0 HH11 ARG A 53 -12.873 -6.528 2.636 1.00 65.12 H new ATOM 0 HH12 ARG A 53 -13.565 -7.653 3.808 1.00 65.12 H new ATOM 0 HH21 ARG A 53 -12.627 -5.733 6.614 1.00 14.11 H new ATOM 0 HH22 ARG A 53 -13.427 -7.205 6.051 1.00 14.11 H new ATOM 895 N VAL A 54 -7.840 0.091 4.964 1.00 31.15 N ATOM 896 CA VAL A 54 -7.625 1.192 5.912 1.00 41.30 C ATOM 897 C VAL A 54 -8.446 2.402 5.461 1.00 54.23 C ATOM 898 O VAL A 54 -8.744 2.530 4.283 1.00 53.44 O ATOM 899 CB VAL A 54 -6.101 1.578 6.010 1.00 44.30 C ATOM 900 CG1 VAL A 54 -5.279 0.438 6.660 1.00 0.14 C ATOM 901 CG2 VAL A 54 -5.523 1.967 4.617 1.00 22.33 C ATOM 0 H VAL A 54 -7.461 0.286 4.037 1.00 31.15 H new ATOM 0 HA VAL A 54 -7.946 0.869 6.902 1.00 41.30 H new ATOM 0 HB VAL A 54 -6.022 2.454 6.653 1.00 44.30 H new ATOM 0 HG11 VAL A 54 -4.231 0.731 6.715 1.00 0.14 H new ATOM 0 HG12 VAL A 54 -5.655 0.245 7.665 1.00 0.14 H new ATOM 0 HG13 VAL A 54 -5.372 -0.466 6.058 1.00 0.14 H new ATOM 0 HG21 VAL A 54 -4.470 2.228 4.720 1.00 22.33 H new ATOM 0 HG22 VAL A 54 -5.623 1.124 3.933 1.00 22.33 H new ATOM 0 HG23 VAL A 54 -6.071 2.822 4.221 1.00 22.33 H new ATOM 911 N ARG A 55 -8.852 3.262 6.398 1.00 32.44 N ATOM 912 CA ARG A 55 -9.642 4.472 6.086 1.00 13.03 C ATOM 913 C ARG A 55 -8.897 5.704 6.585 1.00 41.41 C ATOM 914 O ARG A 55 -8.562 6.610 5.817 1.00 53.31 O ATOM 915 CB ARG A 55 -11.044 4.378 6.747 1.00 53.30 C ATOM 916 CG ARG A 55 -11.873 3.151 6.305 1.00 53.43 C ATOM 917 CD ARG A 55 -13.209 3.028 7.052 1.00 51.15 C ATOM 918 NE ARG A 55 -13.921 1.795 6.673 1.00 15.51 N ATOM 919 CZ ARG A 55 -14.690 1.051 7.486 1.00 41.32 C ATOM 920 NH1 ARG A 55 -14.871 1.392 8.757 1.00 43.20 N ATOM 921 NH2 ARG A 55 -15.287 -0.024 7.006 1.00 1.23 N ATOM 0 H ARG A 55 -8.648 3.147 7.391 1.00 32.44 H new ATOM 0 HA ARG A 55 -9.777 4.551 5.007 1.00 13.03 H new ATOM 0 HB2 ARG A 55 -10.921 4.348 7.830 1.00 53.30 H new ATOM 0 HB3 ARG A 55 -11.604 5.284 6.514 1.00 53.30 H new ATOM 0 HG2 ARG A 55 -12.067 3.217 5.234 1.00 53.43 H new ATOM 0 HG3 ARG A 55 -11.287 2.246 6.468 1.00 53.43 H new ATOM 0 HD2 ARG A 55 -13.029 3.031 8.127 1.00 51.15 H new ATOM 0 HD3 ARG A 55 -13.833 3.894 6.831 1.00 51.15 H new ATOM 0 HE ARG A 55 -13.821 1.478 5.709 1.00 15.51 H new ATOM 0 HH11 ARG A 55 -14.423 2.230 9.129 1.00 43.20 H new ATOM 0 HH12 ARG A 55 -15.458 0.816 9.361 1.00 43.20 H new ATOM 0 HH21 ARG A 55 -15.162 -0.282 6.027 1.00 1.23 H new ATOM 0 HH22 ARG A 55 -15.873 -0.596 7.614 1.00 1.23 H new ATOM 935 N ASN A 56 -8.624 5.709 7.898 1.00 5.54 N ATOM 936 CA ASN A 56 -7.993 6.831 8.596 1.00 30.33 C ATOM 937 C ASN A 56 -6.643 6.368 9.145 1.00 23.14 C ATOM 938 O ASN A 56 -6.558 5.795 10.243 1.00 12.13 O ATOM 939 CB ASN A 56 -8.919 7.357 9.729 1.00 25.44 C ATOM 940 CG ASN A 56 -10.325 7.776 9.254 1.00 42.45 C ATOM 941 OD1 ASN A 56 -11.302 7.621 9.984 1.00 2.42 O ATOM 942 ND2 ASN A 56 -10.441 8.320 8.039 1.00 53.11 N ATOM 0 H ASN A 56 -8.839 4.922 8.510 1.00 5.54 H new ATOM 0 HA ASN A 56 -7.831 7.658 7.905 1.00 30.33 H new ATOM 0 HB2 ASN A 56 -9.021 6.582 10.489 1.00 25.44 H new ATOM 0 HB3 ASN A 56 -8.440 8.211 10.207 1.00 25.44 H new ATOM 0 HD21 ASN A 56 -11.355 8.617 7.699 1.00 53.11 H new ATOM 0 HD22 ASN A 56 -9.615 8.438 7.452 1.00 53.11 H new ATOM 949 N ILE A 57 -5.594 6.567 8.337 1.00 61.11 N ATOM 950 CA ILE A 57 -4.209 6.203 8.682 1.00 22.10 C ATOM 951 C ILE A 57 -3.303 7.451 8.649 1.00 14.53 C ATOM 952 O ILE A 57 -3.080 8.052 7.595 1.00 65.04 O ATOM 953 CB ILE A 57 -3.644 4.999 7.781 1.00 40.13 C ATOM 954 CG1 ILE A 57 -4.278 4.953 6.331 1.00 73.13 C ATOM 955 CG2 ILE A 57 -3.848 3.632 8.504 1.00 32.51 C ATOM 956 CD1 ILE A 57 -3.911 6.086 5.375 1.00 25.24 C ATOM 0 H ILE A 57 -5.682 6.990 7.413 1.00 61.11 H new ATOM 0 HA ILE A 57 -4.207 5.820 9.702 1.00 22.10 H new ATOM 0 HB ILE A 57 -2.578 5.187 7.650 1.00 40.13 H new ATOM 0 HG12 ILE A 57 -3.989 4.011 5.865 1.00 73.13 H new ATOM 0 HG13 ILE A 57 -5.363 4.937 6.436 1.00 73.13 H new ATOM 0 HG21 ILE A 57 -3.459 2.828 7.879 1.00 32.51 H new ATOM 0 HG22 ILE A 57 -3.317 3.641 9.456 1.00 32.51 H new ATOM 0 HG23 ILE A 57 -4.911 3.470 8.684 1.00 32.51 H new ATOM 0 HD11 ILE A 57 -4.412 5.932 4.419 1.00 25.24 H new ATOM 0 HD12 ILE A 57 -4.227 7.038 5.801 1.00 25.24 H new ATOM 0 HD13 ILE A 57 -2.832 6.097 5.221 1.00 25.24 H new ATOM 968 N SER A 58 -2.824 7.865 9.839 1.00 45.55 N ATOM 969 CA SER A 58 -1.931 9.019 10.002 1.00 43.05 C ATOM 970 C SER A 58 -0.493 8.634 9.604 1.00 53.14 C ATOM 971 O SER A 58 -0.219 7.466 9.356 1.00 74.04 O ATOM 972 CB SER A 58 -1.984 9.510 11.458 1.00 4.41 C ATOM 973 OG SER A 58 -3.307 9.862 11.833 1.00 14.00 O ATOM 0 H SER A 58 -3.051 7.401 10.719 1.00 45.55 H new ATOM 0 HA SER A 58 -2.259 9.828 9.350 1.00 43.05 H new ATOM 0 HB2 SER A 58 -1.610 8.730 12.121 1.00 4.41 H new ATOM 0 HB3 SER A 58 -1.328 10.372 11.578 1.00 4.41 H new ATOM 0 HG SER A 58 -3.312 10.169 12.764 1.00 14.00 H new ATOM 979 N LYS A 59 0.414 9.625 9.600 1.00 40.12 N ATOM 980 CA LYS A 59 1.794 9.519 9.044 1.00 72.41 C ATOM 981 C LYS A 59 2.599 8.257 9.492 1.00 60.25 C ATOM 982 O LYS A 59 3.396 7.730 8.707 1.00 41.22 O ATOM 983 CB LYS A 59 2.597 10.827 9.335 1.00 61.31 C ATOM 984 CG LYS A 59 3.009 11.094 10.811 1.00 0.30 C ATOM 985 CD LYS A 59 1.829 11.305 11.781 1.00 73.30 C ATOM 986 CE LYS A 59 2.282 11.537 13.233 1.00 32.03 C ATOM 987 NZ LYS A 59 1.124 11.523 14.159 1.00 41.43 N ATOM 0 H LYS A 59 0.214 10.546 9.989 1.00 40.12 H new ATOM 0 HA LYS A 59 1.662 9.391 7.970 1.00 72.41 H new ATOM 0 HB2 LYS A 59 3.503 10.809 8.729 1.00 61.31 H new ATOM 0 HB3 LYS A 59 2.001 11.673 8.992 1.00 61.31 H new ATOM 0 HG2 LYS A 59 3.607 10.254 11.165 1.00 0.30 H new ATOM 0 HG3 LYS A 59 3.649 11.976 10.842 1.00 0.30 H new ATOM 0 HD2 LYS A 59 1.240 12.160 11.448 1.00 73.30 H new ATOM 0 HD3 LYS A 59 1.175 10.434 11.745 1.00 73.30 H new ATOM 0 HE2 LYS A 59 2.994 10.764 13.524 1.00 32.03 H new ATOM 0 HE3 LYS A 59 2.801 12.493 13.308 1.00 32.03 H new ATOM 0 HZ1 LYS A 59 1.359 12.061 15.017 1.00 41.43 H new ATOM 0 HZ2 LYS A 59 0.302 11.957 13.693 1.00 41.43 H new ATOM 0 HZ3 LYS A 59 0.898 10.541 14.417 1.00 41.43 H new ATOM 1001 N GLU A 60 2.392 7.786 10.739 1.00 51.34 N ATOM 1002 CA GLU A 60 3.096 6.590 11.282 1.00 60.43 C ATOM 1003 C GLU A 60 2.339 5.278 10.959 1.00 54.21 C ATOM 1004 O GLU A 60 2.947 4.205 10.862 1.00 4.23 O ATOM 1005 CB GLU A 60 3.316 6.711 12.823 1.00 73.15 C ATOM 1006 CG GLU A 60 2.066 6.535 13.717 1.00 55.11 C ATOM 1007 CD GLU A 60 1.051 7.672 13.622 1.00 44.21 C ATOM 1008 OE1 GLU A 60 0.152 7.599 12.773 1.00 71.11 O ATOM 1009 OE2 GLU A 60 1.141 8.641 14.403 1.00 32.05 O ATOM 0 H GLU A 60 1.741 8.214 11.397 1.00 51.34 H new ATOM 0 HA GLU A 60 4.068 6.551 10.791 1.00 60.43 H new ATOM 0 HB2 GLU A 60 4.055 5.968 13.121 1.00 73.15 H new ATOM 0 HB3 GLU A 60 3.748 7.690 13.030 1.00 73.15 H new ATOM 0 HG2 GLU A 60 1.572 5.601 13.448 1.00 55.11 H new ATOM 0 HG3 GLU A 60 2.388 6.439 14.754 1.00 55.11 H new ATOM 1016 N GLU A 61 1.004 5.368 10.853 1.00 71.15 N ATOM 1017 CA GLU A 61 0.137 4.197 10.592 1.00 60.34 C ATOM 1018 C GLU A 61 0.016 3.863 9.105 1.00 32.33 C ATOM 1019 O GLU A 61 -0.181 2.700 8.749 1.00 5.34 O ATOM 1020 CB GLU A 61 -1.257 4.398 11.238 1.00 4.40 C ATOM 1021 CG GLU A 61 -1.232 4.389 12.777 1.00 50.43 C ATOM 1022 CD GLU A 61 -0.560 3.122 13.340 1.00 43.53 C ATOM 1023 OE1 GLU A 61 -1.204 2.048 13.346 1.00 44.23 O ATOM 1024 OE2 GLU A 61 0.622 3.183 13.751 1.00 4.21 O ATOM 0 H GLU A 61 0.493 6.246 10.944 1.00 71.15 H new ATOM 0 HA GLU A 61 0.619 3.337 11.057 1.00 60.34 H new ATOM 0 HB2 GLU A 61 -1.673 5.345 10.896 1.00 4.40 H new ATOM 0 HB3 GLU A 61 -1.926 3.611 10.890 1.00 4.40 H new ATOM 0 HG2 GLU A 61 -0.700 5.270 13.135 1.00 50.43 H new ATOM 0 HG3 GLU A 61 -2.252 4.456 13.156 1.00 50.43 H new ATOM 1031 N LEU A 62 0.146 4.871 8.239 1.00 60.53 N ATOM 1032 CA LEU A 62 0.130 4.656 6.783 1.00 43.10 C ATOM 1033 C LEU A 62 1.439 3.988 6.343 1.00 13.41 C ATOM 1034 O LEU A 62 1.481 3.266 5.338 1.00 13.21 O ATOM 1035 CB LEU A 62 -0.184 5.979 6.032 1.00 34.30 C ATOM 1036 CG LEU A 62 0.798 7.194 6.189 1.00 42.45 C ATOM 1037 CD1 LEU A 62 2.055 7.073 5.288 1.00 62.32 C ATOM 1038 CD2 LEU A 62 0.056 8.528 5.941 1.00 51.04 C ATOM 0 H LEU A 62 0.264 5.845 8.517 1.00 60.53 H new ATOM 0 HA LEU A 62 -0.676 3.972 6.517 1.00 43.10 H new ATOM 0 HB2 LEU A 62 -0.252 5.746 4.969 1.00 34.30 H new ATOM 0 HB3 LEU A 62 -1.172 6.311 6.350 1.00 34.30 H new ATOM 0 HG LEU A 62 1.159 7.181 7.218 1.00 42.45 H new ATOM 0 HD11 LEU A 62 2.696 7.941 5.440 1.00 62.32 H new ATOM 0 HD12 LEU A 62 2.603 6.167 5.548 1.00 62.32 H new ATOM 0 HD13 LEU A 62 1.750 7.025 4.243 1.00 62.32 H new ATOM 0 HD21 LEU A 62 0.753 9.358 6.054 1.00 51.04 H new ATOM 0 HD22 LEU A 62 -0.354 8.534 4.931 1.00 51.04 H new ATOM 0 HD23 LEU A 62 -0.754 8.633 6.663 1.00 51.04 H new ATOM 1050 N LYS A 63 2.497 4.226 7.152 1.00 12.41 N ATOM 1051 CA LYS A 63 3.773 3.505 7.054 1.00 74.22 C ATOM 1052 C LYS A 63 3.554 1.990 7.078 1.00 54.31 C ATOM 1053 O LYS A 63 4.226 1.264 6.362 1.00 11.23 O ATOM 1054 CB LYS A 63 4.718 3.903 8.223 1.00 52.43 C ATOM 1055 CG LYS A 63 5.453 5.251 8.070 1.00 62.20 C ATOM 1056 CD LYS A 63 6.432 5.290 6.862 1.00 30.41 C ATOM 1057 CE LYS A 63 7.365 4.058 6.773 1.00 60.30 C ATOM 1058 NZ LYS A 63 8.005 3.701 8.074 1.00 42.13 N ATOM 0 H LYS A 63 2.483 4.928 7.892 1.00 12.41 H new ATOM 0 HA LYS A 63 4.233 3.781 6.105 1.00 74.22 H new ATOM 0 HB2 LYS A 63 4.133 3.933 9.142 1.00 52.43 H new ATOM 0 HB3 LYS A 63 5.463 3.117 8.345 1.00 52.43 H new ATOM 0 HG2 LYS A 63 4.717 6.047 7.957 1.00 62.20 H new ATOM 0 HG3 LYS A 63 6.008 5.459 8.985 1.00 62.20 H new ATOM 0 HD2 LYS A 63 5.854 5.364 5.941 1.00 30.41 H new ATOM 0 HD3 LYS A 63 7.041 6.191 6.929 1.00 30.41 H new ATOM 0 HE2 LYS A 63 6.792 3.204 6.412 1.00 60.30 H new ATOM 0 HE3 LYS A 63 8.144 4.254 6.036 1.00 60.30 H new ATOM 0 HZ1 LYS A 63 8.998 3.438 7.912 1.00 42.13 H new ATOM 0 HZ2 LYS A 63 7.963 4.517 8.717 1.00 42.13 H new ATOM 0 HZ3 LYS A 63 7.500 2.898 8.501 1.00 42.13 H new ATOM 1072 N LYS A 64 2.576 1.536 7.880 1.00 35.15 N ATOM 1073 CA LYS A 64 2.315 0.102 8.086 1.00 64.02 C ATOM 1074 C LYS A 64 1.912 -0.578 6.779 1.00 20.34 C ATOM 1075 O LYS A 64 2.260 -1.726 6.564 1.00 11.42 O ATOM 1076 CB LYS A 64 1.230 -0.093 9.176 1.00 64.45 C ATOM 1077 CG LYS A 64 1.613 0.559 10.521 1.00 1.44 C ATOM 1078 CD LYS A 64 2.934 -0.013 11.098 1.00 41.21 C ATOM 1079 CE LYS A 64 3.578 0.911 12.125 1.00 41.03 C ATOM 1080 NZ LYS A 64 2.660 1.219 13.250 1.00 4.12 N ATOM 0 H LYS A 64 1.948 2.149 8.400 1.00 35.15 H new ATOM 0 HA LYS A 64 3.236 -0.370 8.429 1.00 64.02 H new ATOM 0 HB2 LYS A 64 0.289 0.331 8.826 1.00 64.45 H new ATOM 0 HB3 LYS A 64 1.062 -1.159 9.329 1.00 64.45 H new ATOM 0 HG2 LYS A 64 1.715 1.636 10.384 1.00 1.44 H new ATOM 0 HG3 LYS A 64 0.808 0.404 11.240 1.00 1.44 H new ATOM 0 HD2 LYS A 64 2.735 -0.980 11.560 1.00 41.21 H new ATOM 0 HD3 LYS A 64 3.636 -0.188 10.283 1.00 41.21 H new ATOM 0 HE2 LYS A 64 4.484 0.446 12.513 1.00 41.03 H new ATOM 0 HE3 LYS A 64 3.880 1.839 11.639 1.00 41.03 H new ATOM 0 HZ1 LYS A 64 3.216 1.435 14.102 1.00 4.12 H new ATOM 0 HZ2 LYS A 64 2.071 2.040 13.003 1.00 4.12 H new ATOM 0 HZ3 LYS A 64 2.049 0.398 13.434 1.00 4.12 H new ATOM 1094 N LEU A 65 1.252 0.181 5.892 1.00 24.14 N ATOM 1095 CA LEU A 65 0.731 -0.327 4.607 1.00 3.34 C ATOM 1096 C LEU A 65 1.877 -0.843 3.716 1.00 0.31 C ATOM 1097 O LEU A 65 1.805 -1.946 3.166 1.00 53.20 O ATOM 1098 CB LEU A 65 -0.074 0.798 3.884 1.00 44.32 C ATOM 1099 CG LEU A 65 -1.543 1.037 4.367 1.00 22.14 C ATOM 1100 CD1 LEU A 65 -2.395 -0.225 4.156 1.00 25.14 C ATOM 1101 CD2 LEU A 65 -1.608 1.516 5.834 1.00 1.12 C ATOM 0 H LEU A 65 1.062 1.172 6.044 1.00 24.14 H new ATOM 0 HA LEU A 65 0.063 -1.166 4.804 1.00 3.34 H new ATOM 0 HB2 LEU A 65 0.476 1.733 3.993 1.00 44.32 H new ATOM 0 HB3 LEU A 65 -0.100 0.566 2.819 1.00 44.32 H new ATOM 0 HG LEU A 65 -1.957 1.840 3.757 1.00 22.14 H new ATOM 0 HD11 LEU A 65 -3.413 -0.038 4.498 1.00 25.14 H new ATOM 0 HD12 LEU A 65 -2.410 -0.481 3.097 1.00 25.14 H new ATOM 0 HD13 LEU A 65 -1.968 -1.052 4.723 1.00 25.14 H new ATOM 0 HD21 LEU A 65 -2.648 1.668 6.121 1.00 1.12 H new ATOM 0 HD22 LEU A 65 -1.158 0.764 6.482 1.00 1.12 H new ATOM 0 HD23 LEU A 65 -1.063 2.455 5.935 1.00 1.12 H new ATOM 1113 N LEU A 66 2.941 -0.037 3.624 1.00 64.42 N ATOM 1114 CA LEU A 66 4.124 -0.350 2.802 1.00 70.23 C ATOM 1115 C LEU A 66 5.079 -1.307 3.554 1.00 44.33 C ATOM 1116 O LEU A 66 5.779 -2.103 2.928 1.00 50.42 O ATOM 1117 CB LEU A 66 4.816 0.979 2.372 1.00 64.10 C ATOM 1118 CG LEU A 66 5.310 1.925 3.527 1.00 44.25 C ATOM 1119 CD1 LEU A 66 6.763 1.637 3.967 1.00 2.30 C ATOM 1120 CD2 LEU A 66 5.118 3.407 3.176 1.00 33.14 C ATOM 0 H LEU A 66 3.010 0.853 4.117 1.00 64.42 H new ATOM 0 HA LEU A 66 3.819 -0.876 1.897 1.00 70.23 H new ATOM 0 HB2 LEU A 66 5.673 0.729 1.747 1.00 64.10 H new ATOM 0 HB3 LEU A 66 4.119 1.539 1.748 1.00 64.10 H new ATOM 0 HG LEU A 66 4.676 1.701 4.385 1.00 44.25 H new ATOM 0 HD11 LEU A 66 7.044 2.323 4.766 1.00 2.30 H new ATOM 0 HD12 LEU A 66 6.838 0.611 4.327 1.00 2.30 H new ATOM 0 HD13 LEU A 66 7.434 1.774 3.119 1.00 2.30 H new ATOM 0 HD21 LEU A 66 5.472 4.025 4.001 1.00 33.14 H new ATOM 0 HD22 LEU A 66 5.685 3.644 2.276 1.00 33.14 H new ATOM 0 HD23 LEU A 66 4.060 3.606 3.002 1.00 33.14 H new ATOM 1132 N GLU A 67 5.084 -1.236 4.905 1.00 23.12 N ATOM 1133 CA GLU A 67 5.911 -2.130 5.757 1.00 5.22 C ATOM 1134 C GLU A 67 5.333 -3.560 5.788 1.00 62.34 C ATOM 1135 O GLU A 67 6.030 -4.513 6.157 1.00 22.44 O ATOM 1136 CB GLU A 67 6.065 -1.542 7.191 1.00 31.22 C ATOM 1137 CG GLU A 67 6.818 -0.193 7.223 1.00 4.23 C ATOM 1138 CD GLU A 67 7.096 0.340 8.635 1.00 64.35 C ATOM 1139 OE1 GLU A 67 8.162 0.021 9.200 1.00 3.41 O ATOM 1140 OE2 GLU A 67 6.268 1.101 9.178 1.00 62.22 O ATOM 0 H GLU A 67 4.523 -0.567 5.433 1.00 23.12 H new ATOM 0 HA GLU A 67 6.906 -2.192 5.317 1.00 5.22 H new ATOM 0 HB2 GLU A 67 5.076 -1.408 7.629 1.00 31.22 H new ATOM 0 HB3 GLU A 67 6.596 -2.261 7.815 1.00 31.22 H new ATOM 0 HG2 GLU A 67 7.766 -0.306 6.697 1.00 4.23 H new ATOM 0 HG3 GLU A 67 6.236 0.548 6.675 1.00 4.23 H new ATOM 1147 N ARG A 68 4.046 -3.688 5.420 1.00 43.15 N ATOM 1148 CA ARG A 68 3.426 -4.992 5.116 1.00 24.14 C ATOM 1149 C ARG A 68 3.966 -5.555 3.800 1.00 61.31 C ATOM 1150 O ARG A 68 4.167 -6.752 3.687 1.00 52.14 O ATOM 1151 CB ARG A 68 1.873 -4.899 5.040 1.00 52.43 C ATOM 1152 CG ARG A 68 1.132 -4.544 6.356 1.00 21.33 C ATOM 1153 CD ARG A 68 1.347 -5.547 7.498 1.00 24.30 C ATOM 1154 NE ARG A 68 2.728 -5.525 8.023 1.00 22.55 N ATOM 1155 CZ ARG A 68 3.417 -6.583 8.482 1.00 25.44 C ATOM 1156 NH1 ARG A 68 2.867 -7.788 8.518 1.00 53.34 N ATOM 1157 NH2 ARG A 68 4.664 -6.425 8.887 1.00 44.13 N ATOM 0 H ARG A 68 3.409 -2.897 5.325 1.00 43.15 H new ATOM 0 HA ARG A 68 3.687 -5.662 5.935 1.00 24.14 H new ATOM 0 HB2 ARG A 68 1.613 -4.151 4.291 1.00 52.43 H new ATOM 0 HB3 ARG A 68 1.492 -5.855 4.682 1.00 52.43 H new ATOM 0 HG2 ARG A 68 1.460 -3.559 6.688 1.00 21.33 H new ATOM 0 HG3 ARG A 68 0.064 -4.472 6.149 1.00 21.33 H new ATOM 0 HD2 ARG A 68 0.651 -5.325 8.307 1.00 24.30 H new ATOM 0 HD3 ARG A 68 1.113 -6.551 7.143 1.00 24.30 H new ATOM 0 HE ARG A 68 3.203 -4.622 8.038 1.00 22.55 H new ATOM 0 HH11 ARG A 68 1.909 -7.921 8.195 1.00 53.34 H new ATOM 0 HH12 ARG A 68 3.402 -8.582 8.869 1.00 53.34 H new ATOM 0 HH21 ARG A 68 5.099 -5.503 8.850 1.00 44.13 H new ATOM 0 HH22 ARG A 68 5.192 -7.225 9.236 1.00 44.13 H new ATOM 1171 N ILE A 69 4.196 -4.676 2.818 1.00 10.45 N ATOM 1172 CA ILE A 69 4.644 -5.076 1.474 1.00 40.24 C ATOM 1173 C ILE A 69 6.119 -5.530 1.490 1.00 44.41 C ATOM 1174 O ILE A 69 6.465 -6.518 0.826 1.00 61.25 O ATOM 1175 CB ILE A 69 4.430 -3.908 0.441 1.00 52.35 C ATOM 1176 CG1 ILE A 69 2.939 -3.435 0.474 1.00 44.32 C ATOM 1177 CG2 ILE A 69 4.856 -4.323 -0.998 1.00 74.11 C ATOM 1178 CD1 ILE A 69 2.628 -2.216 -0.369 1.00 24.22 C ATOM 0 H ILE A 69 4.078 -3.669 2.929 1.00 10.45 H new ATOM 0 HA ILE A 69 4.036 -5.924 1.159 1.00 40.24 H new ATOM 0 HB ILE A 69 5.071 -3.075 0.732 1.00 52.35 H new ATOM 0 HG12 ILE A 69 2.307 -4.258 0.141 1.00 44.32 H new ATOM 0 HG13 ILE A 69 2.666 -3.221 1.507 1.00 44.32 H new ATOM 0 HG21 ILE A 69 4.693 -3.489 -1.681 1.00 74.11 H new ATOM 0 HG22 ILE A 69 5.912 -4.593 -1.001 1.00 74.11 H new ATOM 0 HG23 ILE A 69 4.262 -5.178 -1.321 1.00 74.11 H new ATOM 0 HD11 ILE A 69 1.570 -1.970 -0.277 1.00 24.22 H new ATOM 0 HD12 ILE A 69 3.227 -1.373 -0.025 1.00 24.22 H new ATOM 0 HD13 ILE A 69 2.863 -2.426 -1.413 1.00 24.22 H new ATOM 1190 N ARG A 70 6.974 -4.832 2.289 1.00 24.41 N ATOM 1191 CA ARG A 70 8.431 -5.121 2.326 1.00 61.42 C ATOM 1192 C ARG A 70 8.687 -6.570 2.747 1.00 73.04 C ATOM 1193 O ARG A 70 9.496 -7.261 2.119 1.00 75.21 O ATOM 1194 CB ARG A 70 9.245 -4.161 3.253 1.00 12.34 C ATOM 1195 CG ARG A 70 9.125 -4.398 4.781 1.00 5.52 C ATOM 1196 CD ARG A 70 10.324 -3.838 5.575 1.00 4.22 C ATOM 1197 NE ARG A 70 10.468 -2.375 5.453 1.00 32.42 N ATOM 1198 CZ ARG A 70 10.233 -1.493 6.435 1.00 43.34 C ATOM 1199 NH1 ARG A 70 9.815 -1.890 7.634 1.00 52.44 N ATOM 1200 NH2 ARG A 70 10.431 -0.213 6.220 1.00 3.04 N ATOM 0 H ARG A 70 6.682 -4.075 2.907 1.00 24.41 H new ATOM 0 HA ARG A 70 8.784 -4.954 1.308 1.00 61.42 H new ATOM 0 HB2 ARG A 70 10.297 -4.235 2.979 1.00 12.34 H new ATOM 0 HB3 ARG A 70 8.932 -3.138 3.042 1.00 12.34 H new ATOM 0 HG2 ARG A 70 8.208 -3.934 5.144 1.00 5.52 H new ATOM 0 HG3 ARG A 70 9.038 -5.468 4.971 1.00 5.52 H new ATOM 0 HD2 ARG A 70 10.209 -4.099 6.627 1.00 4.22 H new ATOM 0 HD3 ARG A 70 11.239 -4.317 5.226 1.00 4.22 H new ATOM 0 HE ARG A 70 10.770 -2.006 4.551 1.00 32.42 H new ATOM 0 HH11 ARG A 70 9.667 -2.882 7.820 1.00 52.44 H new ATOM 0 HH12 ARG A 70 9.642 -1.202 8.367 1.00 52.44 H new ATOM 0 HH21 ARG A 70 10.762 0.106 5.309 1.00 3.04 H new ATOM 0 HH22 ARG A 70 10.254 0.462 6.964 1.00 3.04 H new ATOM 1214 N GLU A 71 7.939 -7.051 3.776 1.00 4.01 N ATOM 1215 CA GLU A 71 8.121 -8.409 4.280 1.00 41.03 C ATOM 1216 C GLU A 71 7.736 -9.410 3.194 1.00 11.43 C ATOM 1217 O GLU A 71 8.389 -10.421 3.070 1.00 75.32 O ATOM 1218 CB GLU A 71 7.329 -8.691 5.590 1.00 11.53 C ATOM 1219 CG GLU A 71 5.780 -8.644 5.459 1.00 52.25 C ATOM 1220 CD GLU A 71 5.002 -9.535 6.444 1.00 11.11 C ATOM 1221 OE1 GLU A 71 3.758 -9.582 6.350 1.00 32.10 O ATOM 1222 OE2 GLU A 71 5.617 -10.233 7.280 1.00 32.11 O ATOM 0 H GLU A 71 7.217 -6.514 4.257 1.00 4.01 H new ATOM 0 HA GLU A 71 9.175 -8.520 4.536 1.00 41.03 H new ATOM 0 HB2 GLU A 71 7.615 -9.675 5.962 1.00 11.53 H new ATOM 0 HB3 GLU A 71 7.635 -7.964 6.342 1.00 11.53 H new ATOM 0 HG2 GLU A 71 5.453 -7.613 5.594 1.00 52.25 H new ATOM 0 HG3 GLU A 71 5.510 -8.934 4.444 1.00 52.25 H new ATOM 1229 N LYS A 72 6.736 -9.063 2.346 1.00 65.10 N ATOM 1230 CA LYS A 72 6.249 -9.974 1.297 1.00 43.33 C ATOM 1231 C LYS A 72 7.375 -10.208 0.278 1.00 0.14 C ATOM 1232 O LYS A 72 7.786 -11.349 0.039 1.00 24.12 O ATOM 1233 CB LYS A 72 4.987 -9.416 0.574 1.00 63.21 C ATOM 1234 CG LYS A 72 3.847 -8.925 1.481 1.00 24.21 C ATOM 1235 CD LYS A 72 3.350 -9.982 2.483 1.00 45.52 C ATOM 1236 CE LYS A 72 2.157 -9.476 3.311 1.00 22.23 C ATOM 1237 NZ LYS A 72 1.681 -10.498 4.277 1.00 22.13 N ATOM 0 H LYS A 72 6.258 -8.163 2.373 1.00 65.10 H new ATOM 0 HA LYS A 72 5.960 -10.913 1.769 1.00 43.33 H new ATOM 0 HB2 LYS A 72 5.296 -8.589 -0.066 1.00 63.21 H new ATOM 0 HB3 LYS A 72 4.594 -10.195 -0.079 1.00 63.21 H new ATOM 0 HG2 LYS A 72 4.186 -8.047 2.031 1.00 24.21 H new ATOM 0 HG3 LYS A 72 3.011 -8.607 0.858 1.00 24.21 H new ATOM 0 HD2 LYS A 72 3.061 -10.884 1.944 1.00 45.52 H new ATOM 0 HD3 LYS A 72 4.165 -10.258 3.152 1.00 45.52 H new ATOM 0 HE2 LYS A 72 2.446 -8.574 3.850 1.00 22.23 H new ATOM 0 HE3 LYS A 72 1.341 -9.201 2.642 1.00 22.23 H new ATOM 0 HZ1 LYS A 72 0.652 -10.409 4.397 1.00 22.13 H new ATOM 0 HZ2 LYS A 72 1.907 -11.447 3.918 1.00 22.13 H new ATOM 0 HZ3 LYS A 72 2.150 -10.354 5.194 1.00 22.13 H new ATOM 1251 N ILE A 73 7.931 -9.092 -0.240 1.00 24.35 N ATOM 1252 CA ILE A 73 8.948 -9.119 -1.313 1.00 51.21 C ATOM 1253 C ILE A 73 10.268 -9.751 -0.812 1.00 32.25 C ATOM 1254 O ILE A 73 11.046 -10.281 -1.613 1.00 51.12 O ATOM 1255 CB ILE A 73 9.191 -7.671 -1.956 1.00 54.05 C ATOM 1256 CG1 ILE A 73 10.076 -6.711 -1.058 1.00 53.42 C ATOM 1257 CG2 ILE A 73 7.833 -6.999 -2.298 1.00 43.41 C ATOM 1258 CD1 ILE A 73 11.584 -6.744 -1.341 1.00 74.43 C ATOM 0 H ILE A 73 7.689 -8.151 0.072 1.00 24.35 H new ATOM 0 HA ILE A 73 8.558 -9.751 -2.111 1.00 51.21 H new ATOM 0 HB ILE A 73 9.762 -7.836 -2.870 1.00 54.05 H new ATOM 0 HG12 ILE A 73 9.722 -5.689 -1.191 1.00 53.42 H new ATOM 0 HG13 ILE A 73 9.915 -6.970 -0.012 1.00 53.42 H new ATOM 0 HG21 ILE A 73 8.013 -6.016 -2.734 1.00 43.41 H new ATOM 0 HG22 ILE A 73 7.290 -7.619 -3.012 1.00 43.41 H new ATOM 0 HG23 ILE A 73 7.242 -6.890 -1.389 1.00 43.41 H new ATOM 0 HD11 ILE A 73 12.095 -6.051 -0.672 1.00 74.43 H new ATOM 0 HD12 ILE A 73 11.963 -7.753 -1.177 1.00 74.43 H new ATOM 0 HD13 ILE A 73 11.767 -6.451 -2.375 1.00 74.43 H new ATOM 1270 N GLU A 74 10.513 -9.674 0.521 1.00 52.24 N ATOM 1271 CA GLU A 74 11.730 -10.215 1.159 1.00 51.00 C ATOM 1272 C GLU A 74 11.599 -11.716 1.506 1.00 21.30 C ATOM 1273 O GLU A 74 12.425 -12.525 1.059 1.00 41.44 O ATOM 1274 CB GLU A 74 12.099 -9.370 2.415 1.00 22.15 C ATOM 1275 CG GLU A 74 12.543 -7.928 2.070 1.00 42.43 C ATOM 1276 CD GLU A 74 12.889 -7.054 3.289 1.00 32.13 C ATOM 1277 OE1 GLU A 74 13.930 -7.314 3.933 1.00 5.53 O ATOM 1278 OE2 GLU A 74 12.154 -6.086 3.592 1.00 41.12 O ATOM 0 H GLU A 74 9.870 -9.234 1.179 1.00 52.24 H new ATOM 0 HA GLU A 74 12.542 -10.140 0.436 1.00 51.00 H new ATOM 0 HB2 GLU A 74 11.238 -9.328 3.083 1.00 22.15 H new ATOM 0 HB3 GLU A 74 12.901 -9.870 2.959 1.00 22.15 H new ATOM 0 HG2 GLU A 74 13.414 -7.977 1.416 1.00 42.43 H new ATOM 0 HG3 GLU A 74 11.747 -7.442 1.506 1.00 42.43 H new ATOM 1285 N ARG A 75 10.554 -12.096 2.271 1.00 12.04 N ATOM 1286 CA ARG A 75 10.439 -13.467 2.832 1.00 63.21 C ATOM 1287 C ARG A 75 9.846 -14.467 1.829 1.00 54.01 C ATOM 1288 O ARG A 75 10.224 -15.647 1.846 1.00 75.54 O ATOM 1289 CB ARG A 75 9.678 -13.511 4.191 1.00 54.11 C ATOM 1290 CG ARG A 75 8.163 -13.204 4.185 1.00 43.11 C ATOM 1291 CD ARG A 75 7.502 -13.492 5.552 1.00 24.43 C ATOM 1292 NE ARG A 75 6.212 -12.800 5.741 1.00 75.11 N ATOM 1293 CZ ARG A 75 5.018 -13.203 5.291 1.00 21.14 C ATOM 1294 NH1 ARG A 75 4.874 -14.304 4.574 1.00 0.03 N ATOM 1295 NH2 ARG A 75 3.945 -12.511 5.605 1.00 44.43 N ATOM 0 H ARG A 75 9.779 -11.479 2.516 1.00 12.04 H new ATOM 0 HA ARG A 75 11.463 -13.779 3.036 1.00 63.21 H new ATOM 0 HB2 ARG A 75 9.816 -14.504 4.619 1.00 54.11 H new ATOM 0 HB3 ARG A 75 10.159 -12.804 4.866 1.00 54.11 H new ATOM 0 HG2 ARG A 75 8.007 -12.158 3.922 1.00 43.11 H new ATOM 0 HG3 ARG A 75 7.676 -13.802 3.415 1.00 43.11 H new ATOM 0 HD2 ARG A 75 7.347 -14.566 5.652 1.00 24.43 H new ATOM 0 HD3 ARG A 75 8.185 -13.193 6.347 1.00 24.43 H new ATOM 0 HE ARG A 75 6.233 -11.927 6.268 1.00 75.11 H new ATOM 0 HH11 ARG A 75 5.688 -14.875 4.348 1.00 0.03 H new ATOM 0 HH12 ARG A 75 3.949 -14.582 4.247 1.00 0.03 H new ATOM 0 HH21 ARG A 75 4.028 -11.677 6.186 1.00 44.43 H new ATOM 0 HH22 ARG A 75 3.029 -12.809 5.268 1.00 44.43 H new ATOM 1309 N GLU A 76 8.908 -14.018 0.968 1.00 1.43 N ATOM 1310 CA GLU A 76 8.505 -14.809 -0.220 1.00 74.21 C ATOM 1311 C GLU A 76 9.675 -14.794 -1.209 1.00 32.30 C ATOM 1312 O GLU A 76 10.053 -15.836 -1.763 1.00 5.41 O ATOM 1313 CB GLU A 76 7.196 -14.261 -0.878 1.00 65.45 C ATOM 1314 CG GLU A 76 5.876 -14.666 -0.174 1.00 71.10 C ATOM 1315 CD GLU A 76 5.757 -14.238 1.310 1.00 63.51 C ATOM 1316 OE1 GLU A 76 5.177 -13.170 1.597 1.00 52.14 O ATOM 1317 OE2 GLU A 76 6.213 -14.995 2.199 1.00 1.53 O ATOM 0 H GLU A 76 8.421 -13.127 1.068 1.00 1.43 H new ATOM 0 HA GLU A 76 8.278 -15.831 0.083 1.00 74.21 H new ATOM 0 HB2 GLU A 76 7.253 -13.173 -0.907 1.00 65.45 H new ATOM 0 HB3 GLU A 76 7.157 -14.606 -1.911 1.00 65.45 H new ATOM 0 HG2 GLU A 76 5.042 -14.235 -0.727 1.00 71.10 H new ATOM 0 HG3 GLU A 76 5.771 -15.749 -0.232 1.00 71.10 H new ATOM 1324 N GLY A 77 10.241 -13.583 -1.417 1.00 72.02 N ATOM 1325 CA GLY A 77 11.487 -13.396 -2.176 1.00 71.14 C ATOM 1326 C GLY A 77 11.318 -13.425 -3.692 1.00 12.51 C ATOM 1327 O GLY A 77 12.100 -12.797 -4.416 1.00 51.14 O ATOM 0 H GLY A 77 9.843 -12.713 -1.062 1.00 72.02 H new ATOM 0 HA2 GLY A 77 11.931 -12.442 -1.891 1.00 71.14 H new ATOM 0 HA3 GLY A 77 12.193 -14.175 -1.887 1.00 71.14 H new ATOM 1331 N SER A 78 10.314 -14.176 -4.162 1.00 61.40 N ATOM 1332 CA SER A 78 10.025 -14.378 -5.575 1.00 21.31 C ATOM 1333 C SER A 78 9.695 -13.040 -6.274 1.00 50.21 C ATOM 1334 O SER A 78 8.759 -12.339 -5.871 1.00 70.43 O ATOM 1335 CB SER A 78 8.858 -15.370 -5.697 1.00 2.54 C ATOM 1336 OG SER A 78 9.145 -16.594 -5.031 1.00 42.54 O ATOM 0 H SER A 78 9.667 -14.670 -3.548 1.00 61.40 H new ATOM 0 HA SER A 78 10.905 -14.786 -6.073 1.00 21.31 H new ATOM 0 HB2 SER A 78 7.956 -14.927 -5.274 1.00 2.54 H new ATOM 0 HB3 SER A 78 8.654 -15.566 -6.750 1.00 2.54 H new ATOM 0 HG SER A 78 8.384 -17.204 -5.125 1.00 42.54 H new ATOM 1342 N SER A 79 10.498 -12.706 -7.306 1.00 0.22 N ATOM 1343 CA SER A 79 10.408 -11.441 -8.062 1.00 22.41 C ATOM 1344 C SER A 79 9.201 -11.444 -9.017 1.00 41.51 C ATOM 1345 O SER A 79 9.325 -11.717 -10.216 1.00 55.52 O ATOM 1346 CB SER A 79 11.742 -11.208 -8.815 1.00 21.14 C ATOM 1347 OG SER A 79 12.120 -12.363 -9.550 1.00 32.42 O ATOM 0 H SER A 79 11.240 -13.320 -7.642 1.00 0.22 H new ATOM 0 HA SER A 79 10.247 -10.615 -7.369 1.00 22.41 H new ATOM 0 HB2 SER A 79 11.638 -10.360 -9.492 1.00 21.14 H new ATOM 0 HB3 SER A 79 12.526 -10.953 -8.102 1.00 21.14 H new ATOM 0 HG SER A 79 11.370 -12.656 -10.108 1.00 32.42 H new ATOM 1353 N GLU A 80 8.035 -11.204 -8.424 1.00 62.31 N ATOM 1354 CA GLU A 80 6.761 -11.034 -9.115 1.00 71.00 C ATOM 1355 C GLU A 80 5.848 -10.349 -8.098 1.00 75.53 C ATOM 1356 O GLU A 80 5.295 -11.003 -7.214 1.00 30.41 O ATOM 1357 CB GLU A 80 6.204 -12.411 -9.612 1.00 51.22 C ATOM 1358 CG GLU A 80 5.001 -12.363 -10.580 1.00 74.12 C ATOM 1359 CD GLU A 80 3.662 -11.962 -9.923 1.00 44.43 C ATOM 1360 OE1 GLU A 80 3.188 -10.820 -10.141 1.00 72.13 O ATOM 1361 OE2 GLU A 80 3.085 -12.794 -9.178 1.00 63.42 O ATOM 0 H GLU A 80 7.949 -11.119 -7.411 1.00 62.31 H new ATOM 0 HA GLU A 80 6.849 -10.431 -10.019 1.00 71.00 H new ATOM 0 HB2 GLU A 80 7.015 -12.949 -10.103 1.00 51.22 H new ATOM 0 HB3 GLU A 80 5.916 -12.997 -8.739 1.00 51.22 H new ATOM 0 HG2 GLU A 80 5.224 -11.657 -11.380 1.00 74.12 H new ATOM 0 HG3 GLU A 80 4.884 -13.343 -11.043 1.00 74.12 H new ATOM 1368 N VAL A 81 5.782 -9.013 -8.179 1.00 22.53 N ATOM 1369 CA VAL A 81 5.090 -8.165 -7.194 1.00 73.33 C ATOM 1370 C VAL A 81 4.069 -7.285 -7.924 1.00 51.32 C ATOM 1371 O VAL A 81 4.400 -6.682 -8.950 1.00 61.22 O ATOM 1372 CB VAL A 81 6.108 -7.246 -6.395 1.00 23.41 C ATOM 1373 CG1 VAL A 81 5.393 -6.404 -5.299 1.00 40.31 C ATOM 1374 CG2 VAL A 81 7.278 -8.079 -5.803 1.00 51.02 C ATOM 0 H VAL A 81 6.212 -8.483 -8.938 1.00 22.53 H new ATOM 0 HA VAL A 81 4.590 -8.813 -6.474 1.00 73.33 H new ATOM 0 HB VAL A 81 6.535 -6.542 -7.109 1.00 23.41 H new ATOM 0 HG11 VAL A 81 6.126 -5.790 -4.776 1.00 40.31 H new ATOM 0 HG12 VAL A 81 4.646 -5.761 -5.764 1.00 40.31 H new ATOM 0 HG13 VAL A 81 4.906 -7.071 -4.588 1.00 40.31 H new ATOM 0 HG21 VAL A 81 7.957 -7.420 -5.262 1.00 51.02 H new ATOM 0 HG22 VAL A 81 6.881 -8.830 -5.120 1.00 51.02 H new ATOM 0 HG23 VAL A 81 7.818 -8.573 -6.611 1.00 51.02 H new ATOM 1384 N GLU A 82 2.836 -7.227 -7.398 1.00 72.31 N ATOM 1385 CA GLU A 82 1.776 -6.350 -7.913 1.00 52.40 C ATOM 1386 C GLU A 82 0.960 -5.782 -6.741 1.00 41.35 C ATOM 1387 O GLU A 82 0.206 -6.512 -6.094 1.00 13.45 O ATOM 1388 CB GLU A 82 0.849 -7.127 -8.887 1.00 51.22 C ATOM 1389 CG GLU A 82 -0.213 -6.246 -9.572 1.00 63.55 C ATOM 1390 CD GLU A 82 -1.220 -7.044 -10.405 1.00 31.12 C ATOM 1391 OE1 GLU A 82 -0.962 -7.282 -11.602 1.00 15.12 O ATOM 1392 OE2 GLU A 82 -2.281 -7.429 -9.866 1.00 3.35 O ATOM 0 H GLU A 82 2.546 -7.791 -6.599 1.00 72.31 H new ATOM 0 HA GLU A 82 2.235 -5.528 -8.462 1.00 52.40 H new ATOM 0 HB2 GLU A 82 1.461 -7.604 -9.653 1.00 51.22 H new ATOM 0 HB3 GLU A 82 0.347 -7.924 -8.338 1.00 51.22 H new ATOM 0 HG2 GLU A 82 -0.750 -5.679 -8.811 1.00 63.55 H new ATOM 0 HG3 GLU A 82 0.287 -5.522 -10.215 1.00 63.55 H new ATOM 1399 N VAL A 83 1.126 -4.487 -6.462 1.00 11.41 N ATOM 1400 CA VAL A 83 0.378 -3.782 -5.411 1.00 71.12 C ATOM 1401 C VAL A 83 -0.756 -2.980 -6.069 1.00 13.20 C ATOM 1402 O VAL A 83 -0.517 -2.252 -7.025 1.00 52.52 O ATOM 1403 CB VAL A 83 1.323 -2.829 -4.589 1.00 64.15 C ATOM 1404 CG1 VAL A 83 0.548 -2.078 -3.479 1.00 43.33 C ATOM 1405 CG2 VAL A 83 2.532 -3.618 -4.009 1.00 64.42 C ATOM 0 H VAL A 83 1.787 -3.891 -6.961 1.00 11.41 H new ATOM 0 HA VAL A 83 -0.039 -4.509 -4.714 1.00 71.12 H new ATOM 0 HB VAL A 83 1.713 -2.074 -5.272 1.00 64.15 H new ATOM 0 HG11 VAL A 83 1.233 -1.430 -2.932 1.00 43.33 H new ATOM 0 HG12 VAL A 83 -0.241 -1.475 -3.930 1.00 43.33 H new ATOM 0 HG13 VAL A 83 0.105 -2.800 -2.792 1.00 43.33 H new ATOM 0 HG21 VAL A 83 3.172 -2.940 -3.445 1.00 64.42 H new ATOM 0 HG22 VAL A 83 2.169 -4.407 -3.350 1.00 64.42 H new ATOM 0 HG23 VAL A 83 3.103 -4.061 -4.825 1.00 64.42 H new ATOM 1415 N ASN A 84 -1.988 -3.141 -5.565 1.00 34.34 N ATOM 1416 CA ASN A 84 -3.188 -2.486 -6.114 1.00 33.22 C ATOM 1417 C ASN A 84 -3.794 -1.595 -5.029 1.00 41.45 C ATOM 1418 O ASN A 84 -4.376 -2.105 -4.071 1.00 72.01 O ATOM 1419 CB ASN A 84 -4.231 -3.558 -6.553 1.00 33.30 C ATOM 1420 CG ASN A 84 -3.680 -4.680 -7.447 1.00 3.03 C ATOM 1421 OD1 ASN A 84 -2.770 -4.365 -8.357 1.00 71.12 O flip ATOM 1422 ND2 ASN A 84 -4.102 -5.829 -7.334 1.00 61.54 N flip ATOM 0 H ASN A 84 -2.183 -3.734 -4.758 1.00 34.34 H new ATOM 0 HA ASN A 84 -2.915 -1.889 -6.984 1.00 33.22 H new ATOM 0 HB2 ASN A 84 -4.664 -4.007 -5.659 1.00 33.30 H new ATOM 0 HB3 ASN A 84 -5.041 -3.058 -7.083 1.00 33.30 H new ATOM 0 HD21 ASN A 84 -4.803 -6.048 -6.626 1.00 61.54 H new ATOM 0 HD22 ASN A 84 -3.751 -6.564 -7.948 1.00 61.54 H new ATOM 1429 N VAL A 85 -3.668 -0.271 -5.171 1.00 52.42 N ATOM 1430 CA VAL A 85 -4.190 0.688 -4.188 1.00 2.20 C ATOM 1431 C VAL A 85 -5.534 1.241 -4.695 1.00 21.32 C ATOM 1432 O VAL A 85 -5.559 2.076 -5.595 1.00 33.23 O ATOM 1433 CB VAL A 85 -3.155 1.854 -3.929 1.00 35.55 C ATOM 1434 CG1 VAL A 85 -3.707 2.886 -2.916 1.00 32.34 C ATOM 1435 CG2 VAL A 85 -1.782 1.284 -3.470 1.00 23.51 C ATOM 0 H VAL A 85 -3.203 0.166 -5.967 1.00 52.42 H new ATOM 0 HA VAL A 85 -4.346 0.181 -3.236 1.00 2.20 H new ATOM 0 HB VAL A 85 -3.000 2.379 -4.872 1.00 35.55 H new ATOM 0 HG11 VAL A 85 -2.970 3.674 -2.761 1.00 32.34 H new ATOM 0 HG12 VAL A 85 -4.627 3.321 -3.305 1.00 32.34 H new ATOM 0 HG13 VAL A 85 -3.913 2.390 -1.967 1.00 32.34 H new ATOM 0 HG21 VAL A 85 -1.086 2.105 -3.298 1.00 23.51 H new ATOM 0 HG22 VAL A 85 -1.913 0.720 -2.547 1.00 23.51 H new ATOM 0 HG23 VAL A 85 -1.384 0.627 -4.243 1.00 23.51 H new ATOM 1445 N HIS A 86 -6.639 0.755 -4.102 1.00 11.11 N ATOM 1446 CA HIS A 86 -8.011 1.138 -4.476 1.00 62.52 C ATOM 1447 C HIS A 86 -8.517 2.201 -3.496 1.00 14.24 C ATOM 1448 O HIS A 86 -8.728 1.895 -2.330 1.00 0.24 O ATOM 1449 CB HIS A 86 -8.953 -0.101 -4.421 1.00 34.21 C ATOM 1450 CG HIS A 86 -8.631 -1.203 -5.400 1.00 31.52 C ATOM 1451 ND1 HIS A 86 -9.423 -1.486 -6.491 1.00 24.31 N ATOM 1452 CD2 HIS A 86 -7.630 -2.119 -5.423 1.00 2.00 C ATOM 1453 CE1 HIS A 86 -8.937 -2.522 -7.137 1.00 44.45 C ATOM 1454 NE2 HIS A 86 -7.848 -2.925 -6.514 1.00 31.34 N ATOM 0 H HIS A 86 -6.603 0.077 -3.341 1.00 11.11 H new ATOM 0 HA HIS A 86 -8.007 1.533 -5.492 1.00 62.52 H new ATOM 0 HB2 HIS A 86 -8.924 -0.514 -3.413 1.00 34.21 H new ATOM 0 HB3 HIS A 86 -9.975 0.233 -4.599 1.00 34.21 H new ATOM 0 HD2 HIS A 86 -6.816 -2.199 -4.717 1.00 2.00 H new ATOM 0 HE1 HIS A 86 -9.358 -2.967 -8.026 1.00 44.45 H new ATOM 0 HE2 HIS A 86 -7.261 -3.710 -6.797 1.00 31.34 H new ATOM 1463 N SER A 87 -8.720 3.434 -3.974 1.00 13.41 N ATOM 1464 CA SER A 87 -9.238 4.537 -3.148 1.00 74.01 C ATOM 1465 C SER A 87 -9.829 5.638 -4.042 1.00 12.31 C ATOM 1466 O SER A 87 -9.176 6.076 -5.004 1.00 44.22 O ATOM 1467 CB SER A 87 -8.118 5.109 -2.245 1.00 74.22 C ATOM 1468 OG SER A 87 -6.973 5.462 -2.997 1.00 60.22 O ATOM 0 H SER A 87 -8.531 3.698 -4.941 1.00 13.41 H new ATOM 0 HA SER A 87 -10.030 4.151 -2.506 1.00 74.01 H new ATOM 0 HB2 SER A 87 -8.490 5.985 -1.714 1.00 74.22 H new ATOM 0 HB3 SER A 87 -7.845 4.371 -1.491 1.00 74.22 H new ATOM 0 HG SER A 87 -6.209 4.923 -2.703 1.00 60.22 H new ATOM 1474 N GLY A 88 -11.070 6.060 -3.719 1.00 12.51 N ATOM 1475 CA GLY A 88 -11.733 7.174 -4.408 1.00 32.11 C ATOM 1476 C GLY A 88 -12.063 6.891 -5.876 1.00 3.14 C ATOM 1477 O GLY A 88 -12.080 7.810 -6.703 1.00 1.50 O ATOM 0 H GLY A 88 -11.632 5.639 -2.979 1.00 12.51 H new ATOM 0 HA2 GLY A 88 -12.655 7.417 -3.880 1.00 32.11 H new ATOM 0 HA3 GLY A 88 -11.092 8.054 -4.354 1.00 32.11 H new ATOM 1481 N GLY A 89 -12.325 5.610 -6.186 1.00 45.25 N ATOM 1482 CA GLY A 89 -12.675 5.174 -7.544 1.00 33.53 C ATOM 1483 C GLY A 89 -11.463 4.918 -8.430 1.00 60.43 C ATOM 1484 O GLY A 89 -11.620 4.499 -9.582 1.00 23.52 O ATOM 0 H GLY A 89 -12.300 4.852 -5.504 1.00 45.25 H new ATOM 0 HA2 GLY A 89 -13.270 4.263 -7.483 1.00 33.53 H new ATOM 0 HA3 GLY A 89 -13.303 5.933 -8.011 1.00 33.53 H new ATOM 1488 N GLN A 90 -10.254 5.163 -7.894 1.00 62.13 N ATOM 1489 CA GLN A 90 -8.985 4.972 -8.618 1.00 3.31 C ATOM 1490 C GLN A 90 -8.268 3.725 -8.099 1.00 71.25 C ATOM 1491 O GLN A 90 -8.524 3.273 -6.977 1.00 71.32 O ATOM 1492 CB GLN A 90 -8.076 6.217 -8.445 1.00 50.10 C ATOM 1493 CG GLN A 90 -8.715 7.548 -8.902 1.00 13.25 C ATOM 1494 CD GLN A 90 -7.764 8.749 -8.845 1.00 2.40 C ATOM 1495 OE1 GLN A 90 -6.503 8.542 -9.167 1.00 73.03 O flip ATOM 1496 NE2 GLN A 90 -8.178 9.876 -8.572 1.00 70.43 N flip ATOM 0 H GLN A 90 -10.130 5.501 -6.940 1.00 62.13 H new ATOM 0 HA GLN A 90 -9.203 4.841 -9.678 1.00 3.31 H new ATOM 0 HB2 GLN A 90 -7.798 6.304 -7.395 1.00 50.10 H new ATOM 0 HB3 GLN A 90 -7.155 6.059 -9.007 1.00 50.10 H new ATOM 0 HG2 GLN A 90 -9.078 7.433 -9.923 1.00 13.25 H new ATOM 0 HG3 GLN A 90 -9.584 7.756 -8.277 1.00 13.25 H new ATOM 0 HE21 GLN A 90 -9.158 10.013 -8.325 1.00 70.43 H new ATOM 0 HE22 GLN A 90 -7.541 10.672 -8.592 1.00 70.43 H new ATOM 1505 N THR A 91 -7.377 3.167 -8.933 1.00 32.34 N ATOM 1506 CA THR A 91 -6.502 2.053 -8.562 1.00 3.10 C ATOM 1507 C THR A 91 -5.114 2.260 -9.181 1.00 34.10 C ATOM 1508 O THR A 91 -4.971 2.299 -10.410 1.00 42.54 O ATOM 1509 CB THR A 91 -7.072 0.660 -8.989 1.00 12.45 C ATOM 1510 OG1 THR A 91 -8.365 0.462 -8.399 1.00 20.23 O ATOM 1511 CG2 THR A 91 -6.141 -0.496 -8.558 1.00 24.45 C ATOM 0 H THR A 91 -7.245 3.483 -9.894 1.00 32.34 H new ATOM 0 HA THR A 91 -6.435 2.047 -7.474 1.00 3.10 H new ATOM 0 HB THR A 91 -7.146 0.655 -10.076 1.00 12.45 H new ATOM 0 HG1 THR A 91 -8.319 -0.269 -7.748 1.00 20.23 H new ATOM 0 HG21 THR A 91 -6.572 -1.447 -8.873 1.00 24.45 H new ATOM 0 HG22 THR A 91 -5.164 -0.369 -9.023 1.00 24.45 H new ATOM 0 HG23 THR A 91 -6.030 -0.489 -7.474 1.00 24.45 H new ATOM 1519 N TRP A 92 -4.104 2.413 -8.317 1.00 74.12 N ATOM 1520 CA TRP A 92 -2.701 2.504 -8.730 1.00 15.24 C ATOM 1521 C TRP A 92 -2.052 1.111 -8.627 1.00 35.51 C ATOM 1522 O TRP A 92 -1.973 0.540 -7.532 1.00 25.20 O ATOM 1523 CB TRP A 92 -1.949 3.508 -7.834 1.00 43.23 C ATOM 1524 CG TRP A 92 -2.424 4.940 -7.938 1.00 22.31 C ATOM 1525 CD1 TRP A 92 -2.004 5.888 -8.833 1.00 33.02 C ATOM 1526 CD2 TRP A 92 -3.398 5.590 -7.105 1.00 21.22 C ATOM 1527 NE1 TRP A 92 -2.654 7.072 -8.608 1.00 54.34 N ATOM 1528 CE2 TRP A 92 -3.511 6.917 -7.552 1.00 21.04 C ATOM 1529 CE3 TRP A 92 -4.183 5.175 -6.028 1.00 31.04 C ATOM 1530 CZ2 TRP A 92 -4.373 7.833 -6.958 1.00 25.44 C ATOM 1531 CZ3 TRP A 92 -5.039 6.085 -5.440 1.00 24.11 C ATOM 1532 CH2 TRP A 92 -5.129 7.402 -5.907 1.00 22.34 C ATOM 0 H TRP A 92 -4.239 2.477 -7.308 1.00 74.12 H new ATOM 0 HA TRP A 92 -2.648 2.853 -9.761 1.00 15.24 H new ATOM 0 HB2 TRP A 92 -2.041 3.185 -6.797 1.00 43.23 H new ATOM 0 HB3 TRP A 92 -0.889 3.474 -8.086 1.00 43.23 H new ATOM 0 HD1 TRP A 92 -1.266 5.725 -9.605 1.00 33.02 H new ATOM 0 HE1 TRP A 92 -2.521 7.931 -9.141 1.00 54.34 H new ATOM 0 HE3 TRP A 92 -4.122 4.161 -5.661 1.00 31.04 H new ATOM 0 HZ2 TRP A 92 -4.441 8.850 -7.316 1.00 25.44 H new ATOM 0 HZ3 TRP A 92 -5.650 5.775 -4.605 1.00 24.11 H new ATOM 0 HH2 TRP A 92 -5.809 8.089 -5.426 1.00 22.34 H new ATOM 1543 N THR A 93 -1.617 0.565 -9.773 1.00 62.21 N ATOM 1544 CA THR A 93 -0.943 -0.741 -9.844 1.00 4.53 C ATOM 1545 C THR A 93 0.588 -0.548 -9.929 1.00 50.22 C ATOM 1546 O THR A 93 1.123 -0.153 -10.974 1.00 70.34 O ATOM 1547 CB THR A 93 -1.476 -1.574 -11.059 1.00 30.32 C ATOM 1548 OG1 THR A 93 -1.400 -0.794 -12.268 1.00 11.04 O ATOM 1549 CG2 THR A 93 -2.935 -2.025 -10.844 1.00 43.44 C ATOM 0 H THR A 93 -1.723 1.019 -10.680 1.00 62.21 H new ATOM 0 HA THR A 93 -1.166 -1.300 -8.935 1.00 4.53 H new ATOM 0 HB THR A 93 -0.848 -2.461 -11.145 1.00 30.32 H new ATOM 0 HG1 THR A 93 -0.540 -0.326 -12.302 1.00 11.04 H new ATOM 0 HG21 THR A 93 -3.269 -2.600 -11.708 1.00 43.44 H new ATOM 0 HG22 THR A 93 -2.996 -2.645 -9.950 1.00 43.44 H new ATOM 0 HG23 THR A 93 -3.572 -1.149 -10.722 1.00 43.44 H new ATOM 1557 N PHE A 94 1.273 -0.806 -8.800 1.00 60.14 N ATOM 1558 CA PHE A 94 2.733 -0.700 -8.682 1.00 61.00 C ATOM 1559 C PHE A 94 3.369 -2.092 -8.727 1.00 43.04 C ATOM 1560 O PHE A 94 3.235 -2.881 -7.787 1.00 54.11 O ATOM 1561 CB PHE A 94 3.121 0.019 -7.365 1.00 73.23 C ATOM 1562 CG PHE A 94 2.685 1.481 -7.316 1.00 43.03 C ATOM 1563 CD1 PHE A 94 3.432 2.467 -7.959 1.00 35.25 C ATOM 1564 CD2 PHE A 94 1.540 1.872 -6.626 1.00 11.04 C ATOM 1565 CE1 PHE A 94 3.048 3.794 -7.910 1.00 74.55 C ATOM 1566 CE2 PHE A 94 1.162 3.197 -6.578 1.00 14.31 C ATOM 1567 CZ PHE A 94 1.914 4.159 -7.218 1.00 14.12 C ATOM 0 H PHE A 94 0.819 -1.098 -7.934 1.00 60.14 H new ATOM 0 HA PHE A 94 3.106 -0.113 -9.522 1.00 61.00 H new ATOM 0 HB2 PHE A 94 2.674 -0.513 -6.525 1.00 73.23 H new ATOM 0 HB3 PHE A 94 4.202 -0.034 -7.237 1.00 73.23 H new ATOM 0 HD1 PHE A 94 4.323 2.190 -8.503 1.00 35.25 H new ATOM 0 HD2 PHE A 94 0.941 1.128 -6.122 1.00 11.04 H new ATOM 0 HE1 PHE A 94 3.637 4.545 -8.415 1.00 74.55 H new ATOM 0 HE2 PHE A 94 0.272 3.483 -6.036 1.00 14.31 H new ATOM 0 HZ PHE A 94 1.615 5.196 -7.177 1.00 14.12 H new ATOM 1577 N ASN A 95 4.037 -2.385 -9.841 1.00 11.30 N ATOM 1578 CA ASN A 95 4.836 -3.609 -10.012 1.00 64.43 C ATOM 1579 C ASN A 95 6.322 -3.262 -9.858 1.00 30.24 C ATOM 1580 O ASN A 95 6.714 -2.110 -10.098 1.00 62.10 O ATOM 1581 CB ASN A 95 4.568 -4.233 -11.409 1.00 33.51 C ATOM 1582 CG ASN A 95 3.109 -4.663 -11.607 1.00 64.32 C ATOM 1583 OD1 ASN A 95 2.265 -3.880 -12.051 1.00 65.32 O ATOM 1584 ND2 ASN A 95 2.807 -5.913 -11.291 1.00 64.53 N ATOM 0 H ASN A 95 4.043 -1.778 -10.661 1.00 11.30 H new ATOM 0 HA ASN A 95 4.554 -4.339 -9.253 1.00 64.43 H new ATOM 0 HB2 ASN A 95 4.835 -3.511 -12.180 1.00 33.51 H new ATOM 0 HB3 ASN A 95 5.217 -5.098 -11.544 1.00 33.51 H new ATOM 0 HD21 ASN A 95 1.853 -6.254 -11.412 1.00 64.53 H new ATOM 0 HD22 ASN A 95 3.528 -6.535 -10.926 1.00 64.53 H new