USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 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= 1.33 K(o=2.6,f=-3.1) USER MOD Set 1.2: A 91 THR OG1 : rot -93:sc= 1.24 USER MOD Set 2.1: A 46 ASN : amide:sc= -4.06! K(o=-4.1!,f=-0.72) USER MOD Set 2.2: A 78 SER OG : rot -170:sc= 0.00574 USER MOD Single : A 27 GLN : amide:sc= 0.377 K(o=0.38,f=-0.19) USER MOD Single : A 33 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.2) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 0.224 K(o=0.22,f=-1.3) USER MOD Single : A 56 ASN : amide:sc= -1.95! K(o=-2!,f=-0.075) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= 0.675 (180deg=0.355) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0.214 (180deg=0.0197) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -3.56! K(o=-3.6!,f=-1.1) USER MOD Single : A 87 SER OG : rot 74:sc= 0.274 USER MOD Single : A 90 GLN : amide:sc= -0.618 K(o=-0.62,f=0) USER MOD Single : A 93 THR OG1 : rot 44:sc= 0.189 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 328 N LEU A 21 11.139 2.045 -3.110 1.00 73.32 N ATOM 329 CA LEU A 21 9.865 1.631 -3.728 1.00 2.24 C ATOM 330 C LEU A 21 8.707 2.051 -2.819 1.00 1.14 C ATOM 331 O LEU A 21 7.738 2.667 -3.264 1.00 65.01 O ATOM 332 CB LEU A 21 9.875 0.087 -3.979 1.00 50.52 C ATOM 333 CG LEU A 21 8.645 -0.523 -4.765 1.00 34.22 C ATOM 334 CD1 LEU A 21 9.071 -1.732 -5.637 1.00 70.54 C ATOM 335 CD2 LEU A 21 7.481 -0.925 -3.813 1.00 14.24 C ATOM 0 HA LEU A 21 9.736 2.120 -4.693 1.00 2.24 H new ATOM 0 HB2 LEU A 21 10.784 -0.161 -4.528 1.00 50.52 H new ATOM 0 HB3 LEU A 21 9.940 -0.413 -3.012 1.00 50.52 H new ATOM 0 HG LEU A 21 8.278 0.264 -5.424 1.00 34.22 H new ATOM 0 HD11 LEU A 21 8.201 -2.126 -6.163 1.00 70.54 H new ATOM 0 HD12 LEU A 21 9.819 -1.412 -6.362 1.00 70.54 H new ATOM 0 HD13 LEU A 21 9.493 -2.509 -5.000 1.00 70.54 H new ATOM 0 HD21 LEU A 21 6.659 -1.339 -4.398 1.00 14.24 H new ATOM 0 HD22 LEU A 21 7.834 -1.673 -3.103 1.00 14.24 H new ATOM 0 HD23 LEU A 21 7.134 -0.045 -3.271 1.00 14.24 H new ATOM 347 N LEU A 22 8.878 1.738 -1.526 1.00 3.53 N ATOM 348 CA LEU A 22 7.906 2.036 -0.465 1.00 61.42 C ATOM 349 C LEU A 22 7.574 3.535 -0.408 1.00 3.31 C ATOM 350 O LEU A 22 6.414 3.916 -0.219 1.00 65.15 O ATOM 351 CB LEU A 22 8.486 1.585 0.893 1.00 24.31 C ATOM 352 CG LEU A 22 8.929 0.100 1.002 1.00 23.34 C ATOM 353 CD1 LEU A 22 9.517 -0.181 2.411 1.00 32.13 C ATOM 354 CD2 LEU A 22 7.771 -0.867 0.643 1.00 42.44 C ATOM 0 H LEU A 22 9.712 1.262 -1.183 1.00 3.53 H new ATOM 0 HA LEU A 22 6.984 1.496 -0.683 1.00 61.42 H new ATOM 0 HB2 LEU A 22 9.346 2.215 1.122 1.00 24.31 H new ATOM 0 HB3 LEU A 22 7.738 1.775 1.663 1.00 24.31 H new ATOM 0 HG LEU A 22 9.717 -0.083 0.271 1.00 23.34 H new ATOM 0 HD11 LEU A 22 9.824 -1.225 2.476 1.00 32.13 H new ATOM 0 HD12 LEU A 22 10.381 0.462 2.580 1.00 32.13 H new ATOM 0 HD13 LEU A 22 8.760 0.022 3.168 1.00 32.13 H new ATOM 0 HD21 LEU A 22 8.117 -1.897 0.730 1.00 42.44 H new ATOM 0 HD22 LEU A 22 6.937 -0.705 1.326 1.00 42.44 H new ATOM 0 HD23 LEU A 22 7.444 -0.679 -0.380 1.00 42.44 H new ATOM 366 N GLU A 23 8.624 4.361 -0.607 1.00 23.30 N ATOM 367 CA GLU A 23 8.535 5.830 -0.578 1.00 3.24 C ATOM 368 C GLU A 23 7.466 6.339 -1.569 1.00 2.41 C ATOM 369 O GLU A 23 6.659 7.209 -1.230 1.00 52.53 O ATOM 370 CB GLU A 23 9.911 6.458 -0.923 1.00 2.43 C ATOM 371 CG GLU A 23 9.989 7.992 -0.765 1.00 74.01 C ATOM 372 CD GLU A 23 9.860 8.448 0.695 1.00 1.44 C ATOM 373 OE1 GLU A 23 8.723 8.677 1.176 1.00 3.50 O ATOM 374 OE2 GLU A 23 10.896 8.569 1.388 1.00 72.13 O ATOM 0 H GLU A 23 9.566 4.019 -0.794 1.00 23.30 H new ATOM 0 HA GLU A 23 8.244 6.130 0.429 1.00 3.24 H new ATOM 0 HB2 GLU A 23 10.670 6.004 -0.286 1.00 2.43 H new ATOM 0 HB3 GLU A 23 10.163 6.201 -1.952 1.00 2.43 H new ATOM 0 HG2 GLU A 23 10.937 8.346 -1.169 1.00 74.01 H new ATOM 0 HG3 GLU A 23 9.198 8.454 -1.356 1.00 74.01 H new ATOM 381 N ARG A 24 7.450 5.721 -2.769 1.00 5.14 N ATOM 382 CA ARG A 24 6.522 6.078 -3.864 1.00 2.41 C ATOM 383 C ARG A 24 5.054 5.859 -3.437 1.00 22.41 C ATOM 384 O ARG A 24 4.152 6.612 -3.829 1.00 45.22 O ATOM 385 CB ARG A 24 6.829 5.225 -5.134 1.00 33.13 C ATOM 386 CG ARG A 24 8.321 5.165 -5.547 1.00 33.42 C ATOM 387 CD ARG A 24 8.954 6.550 -5.764 1.00 23.50 C ATOM 388 NE ARG A 24 10.378 6.478 -6.119 1.00 64.24 N ATOM 389 CZ ARG A 24 11.198 7.535 -6.235 1.00 41.11 C ATOM 390 NH1 ARG A 24 10.766 8.779 -6.005 1.00 71.05 N ATOM 391 NH2 ARG A 24 12.457 7.340 -6.572 1.00 33.22 N ATOM 0 H ARG A 24 8.083 4.957 -3.007 1.00 5.14 H new ATOM 0 HA ARG A 24 6.665 7.134 -4.094 1.00 2.41 H new ATOM 0 HB2 ARG A 24 6.475 4.208 -4.963 1.00 33.13 H new ATOM 0 HB3 ARG A 24 6.254 5.626 -5.969 1.00 33.13 H new ATOM 0 HG2 ARG A 24 8.882 4.635 -4.777 1.00 33.42 H new ATOM 0 HG3 ARG A 24 8.413 4.585 -6.465 1.00 33.42 H new ATOM 0 HD2 ARG A 24 8.414 7.071 -6.554 1.00 23.50 H new ATOM 0 HD3 ARG A 24 8.840 7.142 -4.856 1.00 23.50 H new ATOM 0 HE ARG A 24 10.774 5.554 -6.291 1.00 64.24 H new ATOM 0 HH11 ARG A 24 9.796 8.940 -5.735 1.00 71.05 H new ATOM 0 HH12 ARG A 24 11.407 9.567 -6.099 1.00 71.05 H new ATOM 0 HH21 ARG A 24 12.799 6.394 -6.742 1.00 33.22 H new ATOM 0 HH22 ARG A 24 13.090 8.135 -6.663 1.00 33.22 H new ATOM 405 N LEU A 25 4.842 4.817 -2.608 1.00 72.34 N ATOM 406 CA LEU A 25 3.507 4.422 -2.126 1.00 60.21 C ATOM 407 C LEU A 25 3.123 5.251 -0.896 1.00 34.52 C ATOM 408 O LEU A 25 1.949 5.547 -0.698 1.00 2.10 O ATOM 409 CB LEU A 25 3.448 2.896 -1.794 1.00 3.10 C ATOM 410 CG LEU A 25 3.467 1.918 -3.020 1.00 64.44 C ATOM 411 CD1 LEU A 25 4.813 1.925 -3.763 1.00 21.44 C ATOM 412 CD2 LEU A 25 3.077 0.493 -2.595 1.00 62.01 C ATOM 0 H LEU A 25 5.594 4.226 -2.254 1.00 72.34 H new ATOM 0 HA LEU A 25 2.790 4.616 -2.924 1.00 60.21 H new ATOM 0 HB2 LEU A 25 4.293 2.653 -1.149 1.00 3.10 H new ATOM 0 HB3 LEU A 25 2.542 2.706 -1.218 1.00 3.10 H new ATOM 0 HG LEU A 25 2.720 2.284 -3.724 1.00 64.44 H new ATOM 0 HD11 LEU A 25 4.769 1.230 -4.602 1.00 21.44 H new ATOM 0 HD12 LEU A 25 5.019 2.929 -4.134 1.00 21.44 H new ATOM 0 HD13 LEU A 25 5.607 1.621 -3.081 1.00 21.44 H new ATOM 0 HD21 LEU A 25 3.098 -0.165 -3.464 1.00 62.01 H new ATOM 0 HD22 LEU A 25 3.783 0.130 -1.848 1.00 62.01 H new ATOM 0 HD23 LEU A 25 2.073 0.502 -2.171 1.00 62.01 H new ATOM 424 N ARG A 26 4.127 5.629 -0.084 1.00 64.44 N ATOM 425 CA ARG A 26 3.915 6.401 1.156 1.00 55.22 C ATOM 426 C ARG A 26 3.433 7.819 0.835 1.00 73.35 C ATOM 427 O ARG A 26 2.569 8.366 1.532 1.00 5.11 O ATOM 428 CB ARG A 26 5.211 6.443 2.011 1.00 25.41 C ATOM 429 CG ARG A 26 5.037 7.162 3.371 1.00 60.41 C ATOM 430 CD ARG A 26 6.218 6.949 4.333 1.00 4.24 C ATOM 431 NE ARG A 26 7.490 7.501 3.825 1.00 64.01 N ATOM 432 CZ ARG A 26 8.648 7.497 4.511 1.00 24.34 C ATOM 433 NH1 ARG A 26 8.719 6.970 5.729 1.00 33.33 N ATOM 434 NH2 ARG A 26 9.734 8.030 3.982 1.00 1.52 N ATOM 0 H ARG A 26 5.106 5.409 -0.267 1.00 64.44 H new ATOM 0 HA ARG A 26 3.142 5.900 1.738 1.00 55.22 H new ATOM 0 HB2 ARG A 26 5.550 5.423 2.190 1.00 25.41 H new ATOM 0 HB3 ARG A 26 5.994 6.944 1.443 1.00 25.41 H new ATOM 0 HG2 ARG A 26 4.910 8.230 3.195 1.00 60.41 H new ATOM 0 HG3 ARG A 26 4.123 6.807 3.846 1.00 60.41 H new ATOM 0 HD2 ARG A 26 5.985 7.413 5.292 1.00 4.24 H new ATOM 0 HD3 ARG A 26 6.340 5.882 4.517 1.00 4.24 H new ATOM 0 HE ARG A 26 7.491 7.913 2.892 1.00 64.01 H new ATOM 0 HH11 ARG A 26 7.888 6.561 6.157 1.00 33.33 H new ATOM 0 HH12 ARG A 26 9.604 6.975 6.236 1.00 33.33 H new ATOM 0 HH21 ARG A 26 9.697 8.446 3.051 1.00 1.52 H new ATOM 0 HH22 ARG A 26 10.610 8.026 4.504 1.00 1.52 H new ATOM 448 N GLN A 27 3.994 8.385 -0.246 1.00 21.03 N ATOM 449 CA GLN A 27 3.583 9.702 -0.769 1.00 25.52 C ATOM 450 C GLN A 27 2.112 9.661 -1.228 1.00 43.40 C ATOM 451 O GLN A 27 1.345 10.602 -0.981 1.00 15.14 O ATOM 452 CB GLN A 27 4.501 10.127 -1.944 1.00 20.21 C ATOM 453 CG GLN A 27 5.997 10.275 -1.585 1.00 23.41 C ATOM 454 CD GLN A 27 6.281 11.332 -0.513 1.00 0.24 C ATOM 455 OE1 GLN A 27 5.588 12.344 -0.405 1.00 23.34 O ATOM 456 NE2 GLN A 27 7.308 11.109 0.287 1.00 73.12 N ATOM 0 H GLN A 27 4.743 7.946 -0.782 1.00 21.03 H new ATOM 0 HA GLN A 27 3.678 10.437 0.030 1.00 25.52 H new ATOM 0 HB2 GLN A 27 4.406 9.392 -2.743 1.00 20.21 H new ATOM 0 HB3 GLN A 27 4.142 11.077 -2.340 1.00 20.21 H new ATOM 0 HG2 GLN A 27 6.374 9.312 -1.240 1.00 23.41 H new ATOM 0 HG3 GLN A 27 6.553 10.530 -2.487 1.00 23.41 H new ATOM 0 HE21 GLN A 27 7.866 10.262 0.176 1.00 73.12 H new ATOM 0 HE22 GLN A 27 7.543 11.783 1.015 1.00 73.12 H new ATOM 465 N LEU A 28 1.738 8.535 -1.868 1.00 41.45 N ATOM 466 CA LEU A 28 0.359 8.269 -2.317 1.00 13.44 C ATOM 467 C LEU A 28 -0.604 8.147 -1.117 1.00 73.14 C ATOM 468 O LEU A 28 -1.720 8.680 -1.141 1.00 33.24 O ATOM 469 CB LEU A 28 0.311 6.976 -3.171 1.00 21.13 C ATOM 470 CG LEU A 28 -1.090 6.580 -3.732 1.00 1.02 C ATOM 471 CD1 LEU A 28 -1.662 7.664 -4.683 1.00 4.22 C ATOM 472 CD2 LEU A 28 -1.031 5.195 -4.406 1.00 20.44 C ATOM 0 H LEU A 28 2.389 7.781 -2.089 1.00 41.45 H new ATOM 0 HA LEU A 28 0.036 9.112 -2.928 1.00 13.44 H new ATOM 0 HB2 LEU A 28 0.997 7.093 -4.010 1.00 21.13 H new ATOM 0 HB3 LEU A 28 0.685 6.150 -2.566 1.00 21.13 H new ATOM 0 HG LEU A 28 -1.781 6.514 -2.891 1.00 1.02 H new ATOM 0 HD11 LEU A 28 -2.638 7.347 -5.050 1.00 4.22 H new ATOM 0 HD12 LEU A 28 -1.765 8.605 -4.142 1.00 4.22 H new ATOM 0 HD13 LEU A 28 -0.985 7.803 -5.526 1.00 4.22 H new ATOM 0 HD21 LEU A 28 -2.017 4.936 -4.791 1.00 20.44 H new ATOM 0 HD22 LEU A 28 -0.315 5.221 -5.228 1.00 20.44 H new ATOM 0 HD23 LEU A 28 -0.719 4.448 -3.676 1.00 20.44 H new ATOM 484 N PHE A 29 -0.142 7.454 -0.061 1.00 65.11 N ATOM 485 CA PHE A 29 -0.922 7.259 1.174 1.00 71.43 C ATOM 486 C PHE A 29 -1.152 8.604 1.888 1.00 33.04 C ATOM 487 O PHE A 29 -2.190 8.800 2.522 1.00 75.14 O ATOM 488 CB PHE A 29 -0.217 6.266 2.131 1.00 63.04 C ATOM 489 CG PHE A 29 -0.010 4.836 1.611 1.00 43.23 C ATOM 490 CD1 PHE A 29 -0.848 4.268 0.647 1.00 70.11 C ATOM 491 CD2 PHE A 29 1.041 4.056 2.097 1.00 22.42 C ATOM 492 CE1 PHE A 29 -0.645 2.972 0.207 1.00 32.05 C ATOM 493 CE2 PHE A 29 1.237 2.760 1.654 1.00 31.35 C ATOM 494 CZ PHE A 29 0.401 2.222 0.706 1.00 30.51 C ATOM 0 H PHE A 29 0.779 7.015 -0.039 1.00 65.11 H new ATOM 0 HA PHE A 29 -1.887 6.838 0.893 1.00 71.43 H new ATOM 0 HB2 PHE A 29 0.758 6.678 2.391 1.00 63.04 H new ATOM 0 HB3 PHE A 29 -0.796 6.212 3.053 1.00 63.04 H new ATOM 0 HD1 PHE A 29 -1.664 4.848 0.241 1.00 70.11 H new ATOM 0 HD2 PHE A 29 1.714 4.472 2.832 1.00 22.42 H new ATOM 0 HE1 PHE A 29 -1.308 2.545 -0.531 1.00 32.05 H new ATOM 0 HE2 PHE A 29 2.049 2.170 2.054 1.00 31.35 H new ATOM 0 HZ PHE A 29 0.562 1.214 0.352 1.00 30.51 H new ATOM 504 N GLU A 30 -0.160 9.510 1.776 1.00 34.20 N ATOM 505 CA GLU A 30 -0.254 10.896 2.277 1.00 12.41 C ATOM 506 C GLU A 30 -1.295 11.718 1.484 1.00 20.54 C ATOM 507 O GLU A 30 -2.021 12.540 2.062 1.00 1.24 O ATOM 508 CB GLU A 30 1.144 11.577 2.234 1.00 23.01 C ATOM 509 CG GLU A 30 2.048 11.283 3.449 1.00 41.13 C ATOM 510 CD GLU A 30 1.602 12.043 4.720 1.00 1.24 C ATOM 511 OE1 GLU A 30 1.900 13.251 4.827 1.00 21.12 O ATOM 512 OE2 GLU A 30 0.936 11.452 5.598 1.00 33.41 O ATOM 0 H GLU A 30 0.734 9.299 1.333 1.00 34.20 H new ATOM 0 HA GLU A 30 -0.594 10.859 3.312 1.00 12.41 H new ATOM 0 HB2 GLU A 30 1.660 11.256 1.329 1.00 23.01 H new ATOM 0 HB3 GLU A 30 1.004 12.655 2.156 1.00 23.01 H new ATOM 0 HG2 GLU A 30 2.043 10.212 3.650 1.00 41.13 H new ATOM 0 HG3 GLU A 30 3.075 11.557 3.208 1.00 41.13 H new ATOM 519 N GLU A 31 -1.359 11.480 0.166 1.00 64.24 N ATOM 520 CA GLU A 31 -2.367 12.099 -0.730 1.00 43.35 C ATOM 521 C GLU A 31 -3.798 11.691 -0.314 1.00 21.14 C ATOM 522 O GLU A 31 -4.734 12.483 -0.395 1.00 62.24 O ATOM 523 CB GLU A 31 -2.103 11.676 -2.201 1.00 52.11 C ATOM 524 CG GLU A 31 -0.792 12.208 -2.817 1.00 20.10 C ATOM 525 CD GLU A 31 -0.512 11.638 -4.219 1.00 62.11 C ATOM 526 OE1 GLU A 31 -1.325 11.885 -5.133 1.00 30.03 O ATOM 527 OE2 GLU A 31 0.523 10.959 -4.416 1.00 52.25 O ATOM 0 H GLU A 31 -0.716 10.853 -0.317 1.00 64.24 H new ATOM 0 HA GLU A 31 -2.280 13.182 -0.646 1.00 43.35 H new ATOM 0 HB2 GLU A 31 -2.093 10.587 -2.252 1.00 52.11 H new ATOM 0 HB3 GLU A 31 -2.937 12.016 -2.814 1.00 52.11 H new ATOM 0 HG2 GLU A 31 -0.840 13.295 -2.876 1.00 20.10 H new ATOM 0 HG3 GLU A 31 0.040 11.960 -2.157 1.00 20.10 H new ATOM 534 N LEU A 32 -3.941 10.438 0.118 1.00 61.51 N ATOM 535 CA LEU A 32 -5.230 9.892 0.586 1.00 53.14 C ATOM 536 C LEU A 32 -5.505 10.303 2.067 1.00 72.22 C ATOM 537 O LEU A 32 -6.666 10.493 2.488 1.00 0.24 O ATOM 538 CB LEU A 32 -5.200 8.351 0.380 1.00 60.45 C ATOM 539 CG LEU A 32 -4.837 7.888 -1.082 1.00 73.12 C ATOM 540 CD1 LEU A 32 -4.651 6.355 -1.189 1.00 0.11 C ATOM 541 CD2 LEU A 32 -5.862 8.412 -2.113 1.00 63.14 C ATOM 0 H LEU A 32 -3.173 9.768 0.156 1.00 61.51 H new ATOM 0 HA LEU A 32 -6.058 10.305 0.010 1.00 53.14 H new ATOM 0 HB2 LEU A 32 -4.477 7.920 1.073 1.00 60.45 H new ATOM 0 HB3 LEU A 32 -6.176 7.944 0.643 1.00 60.45 H new ATOM 0 HG LEU A 32 -3.872 8.334 -1.321 1.00 73.12 H new ATOM 0 HD11 LEU A 32 -4.402 6.090 -2.216 1.00 0.11 H new ATOM 0 HD12 LEU A 32 -3.844 6.039 -0.527 1.00 0.11 H new ATOM 0 HD13 LEU A 32 -5.575 5.855 -0.899 1.00 0.11 H new ATOM 0 HD21 LEU A 32 -5.580 8.074 -3.110 1.00 63.14 H new ATOM 0 HD22 LEU A 32 -6.853 8.031 -1.867 1.00 63.14 H new ATOM 0 HD23 LEU A 32 -5.876 9.502 -2.090 1.00 63.14 H new ATOM 553 N HIS A 33 -4.410 10.508 2.825 1.00 44.34 N ATOM 554 CA HIS A 33 -4.441 10.923 4.249 1.00 1.32 C ATOM 555 C HIS A 33 -5.108 12.308 4.419 1.00 74.04 C ATOM 556 O HIS A 33 -5.823 12.530 5.407 1.00 61.52 O ATOM 557 CB HIS A 33 -2.994 10.923 4.826 1.00 24.42 C ATOM 558 CG HIS A 33 -2.837 11.460 6.231 1.00 34.03 C ATOM 559 ND1 HIS A 33 -1.842 12.344 6.587 1.00 1.45 N ATOM 560 CD2 HIS A 33 -3.556 11.239 7.358 1.00 4.33 C ATOM 561 CE1 HIS A 33 -1.963 12.649 7.860 1.00 61.31 C ATOM 562 NE2 HIS A 33 -2.995 11.995 8.352 1.00 53.43 N ATOM 0 H HIS A 33 -3.463 10.389 2.464 1.00 44.34 H new ATOM 0 HA HIS A 33 -5.044 10.207 4.807 1.00 1.32 H new ATOM 0 HB2 HIS A 33 -2.617 9.901 4.806 1.00 24.42 H new ATOM 0 HB3 HIS A 33 -2.360 11.510 4.162 1.00 24.42 H new ATOM 0 HD2 HIS A 33 -4.412 10.588 7.454 1.00 4.33 H new ATOM 0 HE1 HIS A 33 -1.323 13.323 8.410 1.00 61.31 H new ATOM 0 HE2 HIS A 33 -3.323 12.044 9.317 1.00 53.43 H new ATOM 571 N GLU A 34 -4.895 13.212 3.436 1.00 52.21 N ATOM 572 CA GLU A 34 -5.434 14.597 3.487 1.00 24.33 C ATOM 573 C GLU A 34 -6.978 14.610 3.523 1.00 71.25 C ATOM 574 O GLU A 34 -7.590 15.524 4.092 1.00 31.12 O ATOM 575 CB GLU A 34 -4.953 15.450 2.267 1.00 33.35 C ATOM 576 CG GLU A 34 -5.663 15.132 0.931 1.00 31.42 C ATOM 577 CD GLU A 34 -5.191 15.986 -0.254 1.00 72.31 C ATOM 578 OE1 GLU A 34 -4.662 15.425 -1.238 1.00 23.32 O ATOM 579 OE2 GLU A 34 -5.370 17.219 -0.204 1.00 53.33 O ATOM 0 H GLU A 34 -4.353 13.010 2.596 1.00 52.21 H new ATOM 0 HA GLU A 34 -5.050 15.037 4.408 1.00 24.33 H new ATOM 0 HB2 GLU A 34 -5.101 16.505 2.499 1.00 33.35 H new ATOM 0 HB3 GLU A 34 -3.881 15.300 2.137 1.00 33.35 H new ATOM 0 HG2 GLU A 34 -5.506 14.080 0.691 1.00 31.42 H new ATOM 0 HG3 GLU A 34 -6.736 15.273 1.061 1.00 31.42 H new ATOM 586 N ARG A 35 -7.591 13.574 2.924 1.00 53.02 N ATOM 587 CA ARG A 35 -9.043 13.525 2.696 1.00 32.21 C ATOM 588 C ARG A 35 -9.704 12.495 3.619 1.00 40.13 C ATOM 589 O ARG A 35 -10.933 12.485 3.761 1.00 51.51 O ATOM 590 CB ARG A 35 -9.316 13.261 1.188 1.00 24.14 C ATOM 591 CG ARG A 35 -8.555 12.058 0.593 1.00 55.41 C ATOM 592 CD ARG A 35 -8.438 12.114 -0.939 1.00 52.12 C ATOM 593 NE ARG A 35 -7.714 13.320 -1.404 1.00 2.43 N ATOM 594 CZ ARG A 35 -8.180 14.228 -2.285 1.00 0.13 C ATOM 595 NH1 ARG A 35 -9.395 14.100 -2.830 1.00 2.14 N ATOM 596 NH2 ARG A 35 -7.431 15.277 -2.598 1.00 73.24 N ATOM 0 H ARG A 35 -7.094 12.750 2.586 1.00 53.02 H new ATOM 0 HA ARG A 35 -9.495 14.484 2.948 1.00 32.21 H new ATOM 0 HB2 ARG A 35 -10.385 13.101 1.049 1.00 24.14 H new ATOM 0 HB3 ARG A 35 -9.052 14.155 0.623 1.00 24.14 H new ATOM 0 HG2 ARG A 35 -7.556 12.018 1.026 1.00 55.41 H new ATOM 0 HG3 ARG A 35 -9.063 11.137 0.879 1.00 55.41 H new ATOM 0 HD2 ARG A 35 -7.921 11.223 -1.294 1.00 52.12 H new ATOM 0 HD3 ARG A 35 -9.436 12.100 -1.378 1.00 52.12 H new ATOM 0 HE ARG A 35 -6.781 13.477 -1.024 1.00 2.43 H new ATOM 0 HH11 ARG A 35 -9.985 13.306 -2.581 1.00 2.14 H new ATOM 0 HH12 ARG A 35 -9.732 14.796 -3.495 1.00 2.14 H new ATOM 0 HH21 ARG A 35 -6.511 15.392 -2.173 1.00 73.24 H new ATOM 0 HH22 ARG A 35 -7.775 15.969 -3.264 1.00 73.24 H new ATOM 610 N GLY A 36 -8.869 11.633 4.238 1.00 22.21 N ATOM 611 CA GLY A 36 -9.315 10.710 5.278 1.00 43.43 C ATOM 612 C GLY A 36 -10.215 9.624 4.733 1.00 33.53 C ATOM 613 O GLY A 36 -11.267 9.324 5.298 1.00 5.35 O ATOM 0 H GLY A 36 -7.874 11.565 4.025 1.00 22.21 H new ATOM 0 HA2 GLY A 36 -8.446 10.254 5.753 1.00 43.43 H new ATOM 0 HA3 GLY A 36 -9.846 11.266 6.051 1.00 43.43 H new ATOM 617 N THR A 37 -9.811 9.056 3.593 1.00 24.24 N ATOM 618 CA THR A 37 -10.536 7.961 2.944 1.00 55.13 C ATOM 619 C THR A 37 -9.829 6.628 3.254 1.00 33.52 C ATOM 620 O THR A 37 -8.740 6.618 3.854 1.00 1.54 O ATOM 621 CB THR A 37 -10.661 8.213 1.398 1.00 25.55 C ATOM 622 OG1 THR A 37 -11.589 7.287 0.826 1.00 41.13 O ATOM 623 CG2 THR A 37 -9.317 8.117 0.650 1.00 44.24 C ATOM 0 H THR A 37 -8.970 9.344 3.093 1.00 24.24 H new ATOM 0 HA THR A 37 -11.551 7.912 3.338 1.00 55.13 H new ATOM 0 HB THR A 37 -11.017 9.237 1.282 1.00 25.55 H new ATOM 0 HG1 THR A 37 -11.663 7.451 -0.137 1.00 41.13 H new ATOM 0 HG21 THR A 37 -9.478 8.302 -0.412 1.00 44.24 H new ATOM 0 HG22 THR A 37 -8.626 8.860 1.047 1.00 44.24 H new ATOM 0 HG23 THR A 37 -8.896 7.121 0.785 1.00 44.24 H new ATOM 631 N GLU A 38 -10.463 5.502 2.887 1.00 10.42 N ATOM 632 CA GLU A 38 -9.882 4.166 3.099 1.00 71.24 C ATOM 633 C GLU A 38 -8.847 3.835 2.009 1.00 44.40 C ATOM 634 O GLU A 38 -9.015 4.210 0.838 1.00 70.10 O ATOM 635 CB GLU A 38 -10.981 3.072 3.163 1.00 51.45 C ATOM 636 CG GLU A 38 -11.898 2.967 1.942 1.00 12.34 C ATOM 637 CD GLU A 38 -12.770 1.709 1.970 1.00 62.15 C ATOM 638 OE1 GLU A 38 -12.342 0.669 1.425 1.00 20.10 O ATOM 639 OE2 GLU A 38 -13.852 1.733 2.594 1.00 51.21 O ATOM 0 H GLU A 38 -11.380 5.491 2.441 1.00 10.42 H new ATOM 0 HA GLU A 38 -9.371 4.181 4.062 1.00 71.24 H new ATOM 0 HB2 GLU A 38 -10.496 2.107 3.312 1.00 51.45 H new ATOM 0 HB3 GLU A 38 -11.599 3.257 4.041 1.00 51.45 H new ATOM 0 HG2 GLU A 38 -12.538 3.848 1.896 1.00 12.34 H new ATOM 0 HG3 GLU A 38 -11.292 2.965 1.036 1.00 12.34 H new ATOM 646 N ILE A 39 -7.764 3.159 2.425 1.00 22.30 N ATOM 647 CA ILE A 39 -6.701 2.688 1.535 1.00 2.13 C ATOM 648 C ILE A 39 -6.661 1.154 1.593 1.00 42.02 C ATOM 649 O ILE A 39 -6.349 0.567 2.630 1.00 60.42 O ATOM 650 CB ILE A 39 -5.295 3.268 1.942 1.00 52.02 C ATOM 651 CG1 ILE A 39 -5.347 4.822 2.101 1.00 55.14 C ATOM 652 CG2 ILE A 39 -4.221 2.844 0.912 1.00 33.05 C ATOM 653 CD1 ILE A 39 -4.024 5.465 2.480 1.00 11.50 C ATOM 0 H ILE A 39 -7.604 2.923 3.404 1.00 22.30 H new ATOM 0 HA ILE A 39 -6.917 3.033 0.524 1.00 2.13 H new ATOM 0 HB ILE A 39 -5.021 2.853 2.912 1.00 52.02 H new ATOM 0 HG12 ILE A 39 -5.692 5.258 1.164 1.00 55.14 H new ATOM 0 HG13 ILE A 39 -6.088 5.071 2.861 1.00 55.14 H new ATOM 0 HG21 ILE A 39 -3.254 3.252 1.206 1.00 33.05 H new ATOM 0 HG22 ILE A 39 -4.160 1.756 0.876 1.00 33.05 H new ATOM 0 HG23 ILE A 39 -4.491 3.225 -0.073 1.00 33.05 H new ATOM 0 HD11 ILE A 39 -4.156 6.543 2.568 1.00 11.50 H new ATOM 0 HD12 ILE A 39 -3.684 5.062 3.434 1.00 11.50 H new ATOM 0 HD13 ILE A 39 -3.282 5.252 1.710 1.00 11.50 H new ATOM 665 N VAL A 40 -7.019 0.520 0.483 1.00 23.11 N ATOM 666 CA VAL A 40 -7.033 -0.934 0.353 1.00 44.03 C ATOM 667 C VAL A 40 -5.775 -1.376 -0.418 1.00 32.41 C ATOM 668 O VAL A 40 -5.714 -1.264 -1.641 1.00 45.50 O ATOM 669 CB VAL A 40 -8.342 -1.383 -0.392 1.00 21.22 C ATOM 670 CG1 VAL A 40 -8.403 -2.906 -0.572 1.00 43.21 C ATOM 671 CG2 VAL A 40 -9.599 -0.844 0.328 1.00 33.45 C ATOM 0 H VAL A 40 -7.312 1.007 -0.364 1.00 23.11 H new ATOM 0 HA VAL A 40 -7.026 -1.404 1.336 1.00 44.03 H new ATOM 0 HB VAL A 40 -8.318 -0.948 -1.391 1.00 21.22 H new ATOM 0 HG11 VAL A 40 -9.323 -3.174 -1.091 1.00 43.21 H new ATOM 0 HG12 VAL A 40 -7.546 -3.238 -1.158 1.00 43.21 H new ATOM 0 HG13 VAL A 40 -8.383 -3.389 0.405 1.00 43.21 H new ATOM 0 HG21 VAL A 40 -10.492 -1.168 -0.207 1.00 33.45 H new ATOM 0 HG22 VAL A 40 -9.627 -1.228 1.348 1.00 33.45 H new ATOM 0 HG23 VAL A 40 -9.566 0.245 0.352 1.00 33.45 H new ATOM 681 N VAL A 41 -4.775 -1.873 0.313 1.00 53.22 N ATOM 682 CA VAL A 41 -3.491 -2.299 -0.260 1.00 14.25 C ATOM 683 C VAL A 41 -3.538 -3.806 -0.530 1.00 4.54 C ATOM 684 O VAL A 41 -3.582 -4.609 0.404 1.00 34.22 O ATOM 685 CB VAL A 41 -2.303 -1.930 0.706 1.00 3.32 C ATOM 686 CG1 VAL A 41 -0.949 -2.449 0.181 1.00 60.24 C ATOM 687 CG2 VAL A 41 -2.261 -0.404 0.935 1.00 23.33 C ATOM 0 H VAL A 41 -4.831 -1.993 1.324 1.00 53.22 H new ATOM 0 HA VAL A 41 -3.320 -1.776 -1.201 1.00 14.25 H new ATOM 0 HB VAL A 41 -2.482 -2.425 1.660 1.00 3.32 H new ATOM 0 HG11 VAL A 41 -0.158 -2.172 0.878 1.00 60.24 H new ATOM 0 HG12 VAL A 41 -0.987 -3.534 0.088 1.00 60.24 H new ATOM 0 HG13 VAL A 41 -0.744 -2.008 -0.794 1.00 60.24 H new ATOM 0 HG21 VAL A 41 -1.436 -0.159 1.604 1.00 23.33 H new ATOM 0 HG22 VAL A 41 -2.117 0.103 -0.019 1.00 23.33 H new ATOM 0 HG23 VAL A 41 -3.200 -0.077 1.382 1.00 23.33 H new ATOM 697 N GLU A 42 -3.541 -4.164 -1.816 1.00 32.30 N ATOM 698 CA GLU A 42 -3.684 -5.542 -2.281 1.00 35.03 C ATOM 699 C GLU A 42 -2.339 -6.028 -2.853 1.00 25.23 C ATOM 700 O GLU A 42 -1.929 -5.615 -3.941 1.00 65.25 O ATOM 701 CB GLU A 42 -4.806 -5.596 -3.345 1.00 53.43 C ATOM 702 CG GLU A 42 -5.127 -6.999 -3.893 1.00 32.22 C ATOM 703 CD GLU A 42 -6.221 -6.965 -4.969 1.00 52.45 C ATOM 704 OE1 GLU A 42 -7.344 -7.450 -4.729 1.00 12.51 O ATOM 705 OE2 GLU A 42 -5.963 -6.421 -6.056 1.00 65.24 O ATOM 0 H GLU A 42 -3.442 -3.491 -2.576 1.00 32.30 H new ATOM 0 HA GLU A 42 -3.958 -6.201 -1.457 1.00 35.03 H new ATOM 0 HB2 GLU A 42 -5.714 -5.176 -2.913 1.00 53.43 H new ATOM 0 HB3 GLU A 42 -4.524 -4.954 -4.179 1.00 53.43 H new ATOM 0 HG2 GLU A 42 -4.222 -7.440 -4.311 1.00 32.22 H new ATOM 0 HG3 GLU A 42 -5.446 -7.643 -3.073 1.00 32.22 H new ATOM 712 N VAL A 43 -1.669 -6.901 -2.099 1.00 70.12 N ATOM 713 CA VAL A 43 -0.355 -7.445 -2.435 1.00 44.25 C ATOM 714 C VAL A 43 -0.528 -8.727 -3.280 1.00 31.22 C ATOM 715 O VAL A 43 -0.945 -9.770 -2.764 1.00 30.10 O ATOM 716 CB VAL A 43 0.453 -7.736 -1.110 1.00 71.45 C ATOM 717 CG1 VAL A 43 1.856 -8.304 -1.400 1.00 34.51 C ATOM 718 CG2 VAL A 43 0.535 -6.470 -0.215 1.00 51.30 C ATOM 0 H VAL A 43 -2.035 -7.257 -1.216 1.00 70.12 H new ATOM 0 HA VAL A 43 0.208 -6.721 -3.024 1.00 44.25 H new ATOM 0 HB VAL A 43 -0.095 -8.503 -0.562 1.00 71.45 H new ATOM 0 HG11 VAL A 43 2.375 -8.489 -0.460 1.00 34.51 H new ATOM 0 HG12 VAL A 43 1.763 -9.239 -1.953 1.00 34.51 H new ATOM 0 HG13 VAL A 43 2.424 -7.587 -1.993 1.00 34.51 H new ATOM 0 HG21 VAL A 43 1.097 -6.700 0.690 1.00 51.30 H new ATOM 0 HG22 VAL A 43 1.037 -5.671 -0.760 1.00 51.30 H new ATOM 0 HG23 VAL A 43 -0.471 -6.149 0.054 1.00 51.30 H new ATOM 728 N HIS A 44 -0.278 -8.605 -4.596 1.00 20.45 N ATOM 729 CA HIS A 44 -0.233 -9.744 -5.528 1.00 52.22 C ATOM 730 C HIS A 44 1.205 -10.268 -5.601 1.00 0.41 C ATOM 731 O HIS A 44 2.092 -9.545 -6.052 1.00 21.45 O ATOM 732 CB HIS A 44 -0.705 -9.332 -6.955 1.00 41.14 C ATOM 733 CG HIS A 44 -2.153 -8.941 -7.079 1.00 32.41 C ATOM 734 ND1 HIS A 44 -2.618 -8.111 -8.079 1.00 32.35 N ATOM 735 CD2 HIS A 44 -3.246 -9.323 -6.375 1.00 11.34 C ATOM 736 CE1 HIS A 44 -3.926 -8.004 -7.987 1.00 71.22 C ATOM 737 NE2 HIS A 44 -4.331 -8.730 -6.967 1.00 2.11 N ATOM 0 H HIS A 44 -0.100 -7.706 -5.045 1.00 20.45 H new ATOM 0 HA HIS A 44 -0.906 -10.518 -5.160 1.00 52.22 H new ATOM 0 HB2 HIS A 44 -0.092 -8.496 -7.292 1.00 41.14 H new ATOM 0 HB3 HIS A 44 -0.513 -10.162 -7.634 1.00 41.14 H new ATOM 0 HD1 HIS A 44 -2.037 -7.652 -8.781 1.00 32.35 H new ATOM 0 HD2 HIS A 44 -3.260 -9.971 -5.511 1.00 11.34 H new ATOM 0 HE1 HIS A 44 -4.560 -7.420 -8.638 1.00 71.22 H new ATOM 746 N ILE A 45 1.445 -11.497 -5.121 1.00 21.11 N ATOM 747 CA ILE A 45 2.758 -12.163 -5.231 1.00 61.44 C ATOM 748 C ILE A 45 2.559 -13.597 -5.720 1.00 53.32 C ATOM 749 O ILE A 45 1.993 -14.428 -4.999 1.00 2.22 O ATOM 750 CB ILE A 45 3.562 -12.156 -3.863 1.00 41.00 C ATOM 751 CG1 ILE A 45 3.898 -10.692 -3.434 1.00 52.13 C ATOM 752 CG2 ILE A 45 4.845 -13.029 -3.951 1.00 55.22 C ATOM 753 CD1 ILE A 45 4.817 -10.553 -2.237 1.00 2.45 C ATOM 0 H ILE A 45 0.738 -12.059 -4.646 1.00 21.11 H new ATOM 0 HA ILE A 45 3.355 -11.601 -5.949 1.00 61.44 H new ATOM 0 HB ILE A 45 2.926 -12.598 -3.096 1.00 41.00 H new ATOM 0 HG12 ILE A 45 4.355 -10.180 -4.281 1.00 52.13 H new ATOM 0 HG13 ILE A 45 2.965 -10.174 -3.214 1.00 52.13 H new ATOM 0 HG21 ILE A 45 5.370 -13.001 -2.996 1.00 55.22 H new ATOM 0 HG22 ILE A 45 4.570 -14.058 -4.184 1.00 55.22 H new ATOM 0 HG23 ILE A 45 5.496 -12.641 -4.735 1.00 55.22 H new ATOM 0 HD11 ILE A 45 4.983 -9.496 -2.027 1.00 2.45 H new ATOM 0 HD12 ILE A 45 4.359 -11.028 -1.369 1.00 2.45 H new ATOM 0 HD13 ILE A 45 5.771 -11.035 -2.453 1.00 2.45 H new ATOM 765 N ASN A 46 2.988 -13.859 -6.973 1.00 5.12 N ATOM 766 CA ASN A 46 3.069 -15.225 -7.560 1.00 3.21 C ATOM 767 C ASN A 46 1.679 -15.902 -7.668 1.00 54.04 C ATOM 768 O ASN A 46 1.576 -17.136 -7.720 1.00 25.44 O ATOM 769 CB ASN A 46 4.087 -16.116 -6.757 1.00 33.01 C ATOM 770 CG ASN A 46 5.557 -15.651 -6.813 1.00 21.41 C ATOM 771 OD1 ASN A 46 6.474 -16.467 -6.797 1.00 11.03 O ATOM 772 ND2 ASN A 46 5.800 -14.349 -6.832 1.00 64.13 N ATOM 0 H ASN A 46 3.291 -13.127 -7.615 1.00 5.12 H new ATOM 0 HA ASN A 46 3.440 -15.120 -8.579 1.00 3.21 H new ATOM 0 HB2 ASN A 46 3.773 -16.148 -5.714 1.00 33.01 H new ATOM 0 HB3 ASN A 46 4.031 -17.136 -7.138 1.00 33.01 H new ATOM 0 HD21 ASN A 46 6.762 -14.010 -6.834 1.00 64.13 H new ATOM 0 HD22 ASN A 46 5.025 -13.686 -6.845 1.00 64.13 H new ATOM 779 N GLY A 47 0.621 -15.075 -7.758 1.00 64.51 N ATOM 780 CA GLY A 47 -0.758 -15.557 -7.869 1.00 42.55 C ATOM 781 C GLY A 47 -1.567 -15.344 -6.608 1.00 71.24 C ATOM 782 O GLY A 47 -2.796 -15.395 -6.648 1.00 40.14 O ATOM 0 H GLY A 47 0.703 -14.058 -7.755 1.00 64.51 H new ATOM 0 HA2 GLY A 47 -1.249 -15.047 -8.698 1.00 42.55 H new ATOM 0 HA3 GLY A 47 -0.746 -16.620 -8.110 1.00 42.55 H new ATOM 786 N GLU A 48 -0.880 -15.111 -5.483 1.00 43.25 N ATOM 787 CA GLU A 48 -1.520 -14.880 -4.180 1.00 0.40 C ATOM 788 C GLU A 48 -1.979 -13.419 -4.059 1.00 53.31 C ATOM 789 O GLU A 48 -1.321 -12.514 -4.573 1.00 70.14 O ATOM 790 CB GLU A 48 -0.533 -15.243 -3.043 1.00 10.15 C ATOM 791 CG GLU A 48 -0.011 -16.690 -3.127 1.00 23.25 C ATOM 792 CD GLU A 48 0.955 -17.056 -1.998 1.00 21.23 C ATOM 793 OE1 GLU A 48 2.187 -16.949 -2.194 1.00 44.53 O ATOM 794 OE2 GLU A 48 0.489 -17.484 -0.920 1.00 15.44 O ATOM 0 H GLU A 48 0.139 -15.077 -5.450 1.00 43.25 H new ATOM 0 HA GLU A 48 -2.401 -15.517 -4.096 1.00 0.40 H new ATOM 0 HB2 GLU A 48 0.313 -14.557 -3.073 1.00 10.15 H new ATOM 0 HB3 GLU A 48 -1.027 -15.098 -2.082 1.00 10.15 H new ATOM 0 HG2 GLU A 48 -0.858 -17.375 -3.106 1.00 23.25 H new ATOM 0 HG3 GLU A 48 0.491 -16.832 -4.084 1.00 23.25 H new ATOM 801 N ARG A 49 -3.109 -13.213 -3.378 1.00 1.14 N ATOM 802 CA ARG A 49 -3.719 -11.891 -3.161 1.00 11.04 C ATOM 803 C ARG A 49 -3.880 -11.656 -1.648 1.00 70.54 C ATOM 804 O ARG A 49 -4.393 -12.526 -0.925 1.00 61.24 O ATOM 805 CB ARG A 49 -5.086 -11.809 -3.913 1.00 61.42 C ATOM 806 CG ARG A 49 -6.055 -12.977 -3.603 1.00 1.33 C ATOM 807 CD ARG A 49 -7.340 -12.958 -4.455 1.00 31.31 C ATOM 808 NE ARG A 49 -7.077 -13.184 -5.888 1.00 32.54 N ATOM 809 CZ ARG A 49 -8.023 -13.374 -6.831 1.00 12.33 C ATOM 810 NH1 ARG A 49 -9.321 -13.372 -6.526 1.00 33.13 N ATOM 811 NH2 ARG A 49 -7.659 -13.583 -8.086 1.00 54.13 N ATOM 0 H ARG A 49 -3.639 -13.973 -2.952 1.00 1.14 H new ATOM 0 HA ARG A 49 -3.078 -11.106 -3.562 1.00 11.04 H new ATOM 0 HB2 ARG A 49 -5.574 -10.869 -3.654 1.00 61.42 H new ATOM 0 HB3 ARG A 49 -4.896 -11.785 -4.986 1.00 61.42 H new ATOM 0 HG2 ARG A 49 -5.536 -13.921 -3.766 1.00 1.33 H new ATOM 0 HG3 ARG A 49 -6.328 -12.941 -2.548 1.00 1.33 H new ATOM 0 HD2 ARG A 49 -8.024 -13.724 -4.090 1.00 31.31 H new ATOM 0 HD3 ARG A 49 -7.840 -11.998 -4.329 1.00 31.31 H new ATOM 0 HE ARG A 49 -6.103 -13.198 -6.190 1.00 32.54 H new ATOM 0 HH11 ARG A 49 -9.618 -13.225 -5.561 1.00 33.13 H new ATOM 0 HH12 ARG A 49 -10.017 -13.518 -7.257 1.00 33.13 H new ATOM 0 HH21 ARG A 49 -6.670 -13.600 -8.334 1.00 54.13 H new ATOM 0 HH22 ARG A 49 -8.368 -13.728 -8.805 1.00 54.13 H new ATOM 825 N ASP A 50 -3.393 -10.499 -1.167 1.00 30.51 N ATOM 826 CA ASP A 50 -3.496 -10.097 0.255 1.00 45.34 C ATOM 827 C ASP A 50 -4.101 -8.691 0.343 1.00 51.45 C ATOM 828 O ASP A 50 -3.453 -7.726 -0.034 1.00 54.24 O ATOM 829 CB ASP A 50 -2.092 -10.112 0.908 1.00 23.24 C ATOM 830 CG ASP A 50 -2.119 -9.824 2.419 1.00 43.34 C ATOM 831 OD1 ASP A 50 -1.718 -8.717 2.842 1.00 42.21 O ATOM 832 OD2 ASP A 50 -2.556 -10.700 3.189 1.00 74.14 O ATOM 0 H ASP A 50 -2.915 -9.812 -1.751 1.00 30.51 H new ATOM 0 HA ASP A 50 -4.138 -10.799 0.786 1.00 45.34 H new ATOM 0 HB2 ASP A 50 -1.631 -11.085 0.739 1.00 23.24 H new ATOM 0 HB3 ASP A 50 -1.462 -9.371 0.415 1.00 23.24 H new ATOM 837 N GLU A 51 -5.321 -8.582 0.879 1.00 24.45 N ATOM 838 CA GLU A 51 -6.060 -7.309 0.948 1.00 71.30 C ATOM 839 C GLU A 51 -5.986 -6.741 2.368 1.00 72.14 C ATOM 840 O GLU A 51 -6.406 -7.404 3.325 1.00 1.02 O ATOM 841 CB GLU A 51 -7.544 -7.508 0.528 1.00 43.53 C ATOM 842 CG GLU A 51 -8.389 -6.231 0.675 1.00 21.43 C ATOM 843 CD GLU A 51 -9.852 -6.387 0.251 1.00 75.05 C ATOM 844 OE1 GLU A 51 -10.149 -6.239 -0.951 1.00 63.12 O ATOM 845 OE2 GLU A 51 -10.714 -6.647 1.118 1.00 44.30 O ATOM 0 H GLU A 51 -5.828 -9.372 1.279 1.00 24.45 H new ATOM 0 HA GLU A 51 -5.601 -6.604 0.255 1.00 71.30 H new ATOM 0 HB2 GLU A 51 -7.580 -7.843 -0.509 1.00 43.53 H new ATOM 0 HB3 GLU A 51 -7.984 -8.300 1.135 1.00 43.53 H new ATOM 0 HG2 GLU A 51 -8.358 -5.907 1.715 1.00 21.43 H new ATOM 0 HG3 GLU A 51 -7.934 -5.439 0.081 1.00 21.43 H new ATOM 852 N ILE A 52 -5.425 -5.532 2.507 1.00 1.34 N ATOM 853 CA ILE A 52 -5.375 -4.800 3.784 1.00 11.01 C ATOM 854 C ILE A 52 -6.167 -3.487 3.622 1.00 3.22 C ATOM 855 O ILE A 52 -5.682 -2.542 2.996 1.00 1.42 O ATOM 856 CB ILE A 52 -3.883 -4.475 4.200 1.00 41.43 C ATOM 857 CG1 ILE A 52 -2.975 -5.738 4.045 1.00 73.24 C ATOM 858 CG2 ILE A 52 -3.817 -3.908 5.649 1.00 64.43 C ATOM 859 CD1 ILE A 52 -1.494 -5.488 4.223 1.00 44.40 C ATOM 0 H ILE A 52 -4.990 -5.030 1.733 1.00 1.34 H new ATOM 0 HA ILE A 52 -5.812 -5.419 4.568 1.00 11.01 H new ATOM 0 HB ILE A 52 -3.505 -3.706 3.527 1.00 41.43 H new ATOM 0 HG12 ILE A 52 -3.292 -6.486 4.772 1.00 73.24 H new ATOM 0 HG13 ILE A 52 -3.139 -6.166 3.056 1.00 73.24 H new ATOM 0 HG21 ILE A 52 -2.780 -3.693 5.909 1.00 64.43 H new ATOM 0 HG22 ILE A 52 -4.403 -2.991 5.708 1.00 64.43 H new ATOM 0 HG23 ILE A 52 -4.221 -4.642 6.346 1.00 64.43 H new ATOM 0 HD11 ILE A 52 -0.949 -6.424 4.097 1.00 44.40 H new ATOM 0 HD12 ILE A 52 -1.155 -4.767 3.479 1.00 44.40 H new ATOM 0 HD13 ILE A 52 -1.309 -5.092 5.222 1.00 44.40 H new ATOM 871 N ARG A 53 -7.374 -3.435 4.195 1.00 3.34 N ATOM 872 CA ARG A 53 -8.221 -2.236 4.192 1.00 70.40 C ATOM 873 C ARG A 53 -7.971 -1.460 5.485 1.00 2.15 C ATOM 874 O ARG A 53 -8.235 -1.974 6.582 1.00 44.11 O ATOM 875 CB ARG A 53 -9.730 -2.603 4.086 1.00 3.22 C ATOM 876 CG ARG A 53 -10.104 -3.484 2.880 1.00 73.30 C ATOM 877 CD ARG A 53 -11.619 -3.745 2.786 1.00 35.41 C ATOM 878 NE ARG A 53 -12.396 -2.515 2.515 1.00 70.10 N ATOM 879 CZ ARG A 53 -13.736 -2.462 2.368 1.00 75.04 C ATOM 880 NH1 ARG A 53 -14.483 -3.563 2.456 1.00 22.15 N ATOM 881 NH2 ARG A 53 -14.334 -1.301 2.125 1.00 42.14 N ATOM 0 H ARG A 53 -7.794 -4.229 4.678 1.00 3.34 H new ATOM 0 HA ARG A 53 -7.966 -1.629 3.323 1.00 70.40 H new ATOM 0 HB2 ARG A 53 -10.028 -3.118 4.999 1.00 3.22 H new ATOM 0 HB3 ARG A 53 -10.310 -1.681 4.037 1.00 3.22 H new ATOM 0 HG2 ARG A 53 -9.764 -3.002 1.963 1.00 73.30 H new ATOM 0 HG3 ARG A 53 -9.579 -4.436 2.953 1.00 73.30 H new ATOM 0 HD2 ARG A 53 -11.810 -4.471 1.996 1.00 35.41 H new ATOM 0 HD3 ARG A 53 -11.965 -4.190 3.719 1.00 35.41 H new ATOM 0 HE ARG A 53 -11.879 -1.640 2.433 1.00 70.10 H new ATOM 0 HH11 ARG A 53 -14.043 -4.465 2.637 1.00 22.15 H new ATOM 0 HH12 ARG A 53 -15.495 -3.503 2.342 1.00 22.15 H new ATOM 0 HH21 ARG A 53 -13.780 -0.448 2.049 1.00 42.14 H new ATOM 0 HH22 ARG A 53 -15.347 -1.263 2.014 1.00 42.14 H new ATOM 895 N VAL A 54 -7.423 -0.256 5.362 1.00 33.54 N ATOM 896 CA VAL A 54 -7.297 0.684 6.474 1.00 22.42 C ATOM 897 C VAL A 54 -8.227 1.878 6.206 1.00 12.12 C ATOM 898 O VAL A 54 -7.955 2.735 5.359 1.00 12.55 O ATOM 899 CB VAL A 54 -5.798 1.123 6.679 1.00 41.11 C ATOM 900 CG1 VAL A 54 -4.965 -0.014 7.314 1.00 53.43 C ATOM 901 CG2 VAL A 54 -5.147 1.604 5.358 1.00 65.22 C ATOM 0 H VAL A 54 -7.050 0.099 4.482 1.00 33.54 H new ATOM 0 HA VAL A 54 -7.598 0.206 7.406 1.00 22.42 H new ATOM 0 HB VAL A 54 -5.807 1.969 7.367 1.00 41.11 H new ATOM 0 HG11 VAL A 54 -3.935 0.318 7.443 1.00 53.43 H new ATOM 0 HG12 VAL A 54 -5.387 -0.275 8.285 1.00 53.43 H new ATOM 0 HG13 VAL A 54 -4.985 -0.888 6.662 1.00 53.43 H new ATOM 0 HG21 VAL A 54 -4.114 1.897 5.547 1.00 65.22 H new ATOM 0 HG22 VAL A 54 -5.167 0.796 4.627 1.00 65.22 H new ATOM 0 HG23 VAL A 54 -5.701 2.459 4.969 1.00 65.22 H new ATOM 911 N ARG A 55 -9.345 1.922 6.934 1.00 61.01 N ATOM 912 CA ARG A 55 -10.414 2.901 6.702 1.00 41.45 C ATOM 913 C ARG A 55 -10.228 4.087 7.647 1.00 75.14 C ATOM 914 O ARG A 55 -10.421 3.944 8.857 1.00 43.25 O ATOM 915 CB ARG A 55 -11.806 2.225 6.877 1.00 25.13 C ATOM 916 CG ARG A 55 -12.005 0.943 6.023 1.00 62.15 C ATOM 917 CD ARG A 55 -13.411 0.331 6.164 1.00 45.41 C ATOM 918 NE ARG A 55 -14.452 1.176 5.545 1.00 54.13 N ATOM 919 CZ ARG A 55 -15.653 1.469 6.082 1.00 13.44 C ATOM 920 NH1 ARG A 55 -15.989 1.011 7.284 1.00 24.53 N ATOM 921 NH2 ARG A 55 -16.524 2.198 5.396 1.00 73.45 N ATOM 0 H ARG A 55 -9.537 1.280 7.703 1.00 61.01 H new ATOM 0 HA ARG A 55 -10.363 3.275 5.679 1.00 41.45 H new ATOM 0 HB2 ARG A 55 -11.945 1.973 7.928 1.00 25.13 H new ATOM 0 HB3 ARG A 55 -12.582 2.945 6.617 1.00 25.13 H new ATOM 0 HG2 ARG A 55 -11.823 1.181 4.975 1.00 62.15 H new ATOM 0 HG3 ARG A 55 -11.262 0.201 6.315 1.00 62.15 H new ATOM 0 HD2 ARG A 55 -13.424 -0.656 5.701 1.00 45.41 H new ATOM 0 HD3 ARG A 55 -13.640 0.191 7.220 1.00 45.41 H new ATOM 0 HE ARG A 55 -14.243 1.573 4.629 1.00 54.13 H new ATOM 0 HH11 ARG A 55 -15.335 0.431 7.810 1.00 24.53 H new ATOM 0 HH12 ARG A 55 -16.901 1.239 7.680 1.00 24.53 H new ATOM 0 HH21 ARG A 55 -16.284 2.536 4.464 1.00 73.45 H new ATOM 0 HH22 ARG A 55 -17.433 2.421 5.801 1.00 73.45 H new ATOM 935 N ASN A 56 -9.797 5.235 7.071 1.00 71.10 N ATOM 936 CA ASN A 56 -9.548 6.491 7.814 1.00 33.15 C ATOM 937 C ASN A 56 -8.356 6.300 8.764 1.00 12.51 C ATOM 938 O ASN A 56 -8.510 5.876 9.917 1.00 34.14 O ATOM 939 CB ASN A 56 -10.823 7.013 8.562 1.00 42.02 C ATOM 940 CG ASN A 56 -11.942 7.510 7.640 1.00 64.54 C ATOM 941 OD1 ASN A 56 -12.646 8.464 7.963 1.00 12.33 O ATOM 942 ND2 ASN A 56 -12.114 6.879 6.489 1.00 61.32 N ATOM 0 H ASN A 56 -9.612 5.315 6.071 1.00 71.10 H new ATOM 0 HA ASN A 56 -9.298 7.269 7.092 1.00 33.15 H new ATOM 0 HB2 ASN A 56 -11.215 6.212 9.188 1.00 42.02 H new ATOM 0 HB3 ASN A 56 -10.531 7.825 9.228 1.00 42.02 H new ATOM 0 HD21 ASN A 56 -12.845 7.182 5.846 1.00 61.32 H new ATOM 0 HD22 ASN A 56 -11.515 6.090 6.246 1.00 61.32 H new ATOM 949 N ILE A 57 -7.150 6.566 8.237 1.00 4.45 N ATOM 950 CA ILE A 57 -5.885 6.344 8.957 1.00 3.30 C ATOM 951 C ILE A 57 -5.022 7.616 8.965 1.00 33.21 C ATOM 952 O ILE A 57 -5.179 8.493 8.106 1.00 3.02 O ATOM 953 CB ILE A 57 -5.100 5.092 8.386 1.00 70.24 C ATOM 954 CG1 ILE A 57 -5.162 4.990 6.815 1.00 20.41 C ATOM 955 CG2 ILE A 57 -5.641 3.791 9.017 1.00 45.54 C ATOM 956 CD1 ILE A 57 -4.393 6.042 6.045 1.00 73.31 C ATOM 0 H ILE A 57 -7.024 6.942 7.297 1.00 4.45 H new ATOM 0 HA ILE A 57 -6.128 6.113 9.994 1.00 3.30 H new ATOM 0 HB ILE A 57 -4.053 5.231 8.656 1.00 70.24 H new ATOM 0 HG12 ILE A 57 -4.789 4.009 6.521 1.00 20.41 H new ATOM 0 HG13 ILE A 57 -6.207 5.038 6.510 1.00 20.41 H new ATOM 0 HG21 ILE A 57 -5.094 2.938 8.617 1.00 45.54 H new ATOM 0 HG22 ILE A 57 -5.512 3.830 10.099 1.00 45.54 H new ATOM 0 HG23 ILE A 57 -6.700 3.686 8.782 1.00 45.54 H new ATOM 0 HD11 ILE A 57 -4.511 5.869 4.975 1.00 73.31 H new ATOM 0 HD12 ILE A 57 -4.777 7.031 6.297 1.00 73.31 H new ATOM 0 HD13 ILE A 57 -3.337 5.986 6.308 1.00 73.31 H new ATOM 968 N SER A 58 -4.111 7.693 9.946 1.00 44.34 N ATOM 969 CA SER A 58 -3.311 8.892 10.220 1.00 43.25 C ATOM 970 C SER A 58 -1.869 8.773 9.652 1.00 31.10 C ATOM 971 O SER A 58 -1.534 7.761 9.026 1.00 62.40 O ATOM 972 CB SER A 58 -3.321 9.132 11.743 1.00 14.34 C ATOM 973 OG SER A 58 -4.645 9.254 12.248 1.00 52.24 O ATOM 0 H SER A 58 -3.908 6.917 10.576 1.00 44.34 H new ATOM 0 HA SER A 58 -3.749 9.752 9.713 1.00 43.25 H new ATOM 0 HB2 SER A 58 -2.815 8.307 12.245 1.00 14.34 H new ATOM 0 HB3 SER A 58 -2.759 10.037 11.972 1.00 14.34 H new ATOM 0 HG SER A 58 -4.613 9.404 13.216 1.00 52.24 H new ATOM 979 N LYS A 59 -1.046 9.816 9.908 1.00 1.32 N ATOM 980 CA LYS A 59 0.298 10.014 9.297 1.00 24.33 C ATOM 981 C LYS A 59 1.264 8.824 9.533 1.00 21.44 C ATOM 982 O LYS A 59 1.982 8.406 8.621 1.00 20.04 O ATOM 983 CB LYS A 59 0.916 11.341 9.843 1.00 24.31 C ATOM 984 CG LYS A 59 1.100 11.369 11.378 1.00 72.22 C ATOM 985 CD LYS A 59 1.602 12.730 11.909 1.00 64.13 C ATOM 986 CE LYS A 59 1.891 12.711 13.421 1.00 64.51 C ATOM 987 NZ LYS A 59 0.710 12.331 14.240 1.00 4.44 N ATOM 0 H LYS A 59 -1.298 10.561 10.557 1.00 1.32 H new ATOM 0 HA LYS A 59 0.160 10.074 8.217 1.00 24.33 H new ATOM 0 HB2 LYS A 59 1.885 11.500 9.369 1.00 24.31 H new ATOM 0 HB3 LYS A 59 0.277 12.174 9.549 1.00 24.31 H new ATOM 0 HG2 LYS A 59 0.150 11.129 11.855 1.00 72.22 H new ATOM 0 HG3 LYS A 59 1.807 10.591 11.666 1.00 72.22 H new ATOM 0 HD2 LYS A 59 2.509 13.011 11.374 1.00 64.13 H new ATOM 0 HD3 LYS A 59 0.856 13.495 11.696 1.00 64.13 H new ATOM 0 HE2 LYS A 59 2.703 12.011 13.620 1.00 64.51 H new ATOM 0 HE3 LYS A 59 2.237 13.697 13.730 1.00 64.51 H new ATOM 0 HZ1 LYS A 59 0.809 12.727 15.197 1.00 4.44 H new ATOM 0 HZ2 LYS A 59 -0.154 12.706 13.798 1.00 4.44 H new ATOM 0 HZ3 LYS A 59 0.647 11.295 14.299 1.00 4.44 H new ATOM 1001 N GLU A 60 1.264 8.293 10.759 1.00 42.30 N ATOM 1002 CA GLU A 60 2.148 7.180 11.167 1.00 51.32 C ATOM 1003 C GLU A 60 1.494 5.828 10.877 1.00 31.21 C ATOM 1004 O GLU A 60 2.177 4.838 10.605 1.00 62.35 O ATOM 1005 CB GLU A 60 2.548 7.289 12.667 1.00 72.14 C ATOM 1006 CG GLU A 60 1.414 7.114 13.697 1.00 71.13 C ATOM 1007 CD GLU A 60 0.401 8.262 13.683 1.00 12.24 C ATOM 1008 OE1 GLU A 60 -0.686 8.099 13.102 1.00 61.43 O ATOM 1009 OE2 GLU A 60 0.707 9.347 14.224 1.00 63.43 O ATOM 0 H GLU A 60 0.650 8.620 11.505 1.00 42.30 H new ATOM 0 HA GLU A 60 3.060 7.253 10.575 1.00 51.32 H new ATOM 0 HB2 GLU A 60 3.313 6.540 12.871 1.00 72.14 H new ATOM 0 HB3 GLU A 60 3.007 8.265 12.827 1.00 72.14 H new ATOM 0 HG2 GLU A 60 0.894 6.177 13.499 1.00 71.13 H new ATOM 0 HG3 GLU A 60 1.847 7.033 14.694 1.00 71.13 H new ATOM 1016 N GLU A 61 0.158 5.796 10.958 1.00 4.10 N ATOM 1017 CA GLU A 61 -0.625 4.571 10.758 1.00 30.42 C ATOM 1018 C GLU A 61 -0.512 4.054 9.301 1.00 5.21 C ATOM 1019 O GLU A 61 -0.398 2.837 9.071 1.00 0.03 O ATOM 1020 CB GLU A 61 -2.098 4.812 11.161 1.00 40.10 C ATOM 1021 CG GLU A 61 -2.955 3.532 11.265 1.00 25.25 C ATOM 1022 CD GLU A 61 -2.486 2.552 12.351 1.00 24.00 C ATOM 1023 OE1 GLU A 61 -2.795 2.776 13.541 1.00 23.30 O ATOM 1024 OE2 GLU A 61 -1.797 1.558 12.024 1.00 14.34 O ATOM 0 H GLU A 61 -0.410 6.618 11.164 1.00 4.10 H new ATOM 0 HA GLU A 61 -0.215 3.793 11.401 1.00 30.42 H new ATOM 0 HB2 GLU A 61 -2.118 5.326 12.122 1.00 40.10 H new ATOM 0 HB3 GLU A 61 -2.555 5.481 10.432 1.00 40.10 H new ATOM 0 HG2 GLU A 61 -3.988 3.814 11.467 1.00 25.25 H new ATOM 0 HG3 GLU A 61 -2.946 3.022 10.302 1.00 25.25 H new ATOM 1031 N LEU A 62 -0.480 4.994 8.328 1.00 10.30 N ATOM 1032 CA LEU A 62 -0.360 4.658 6.888 1.00 71.45 C ATOM 1033 C LEU A 62 1.003 4.027 6.565 1.00 60.22 C ATOM 1034 O LEU A 62 1.145 3.302 5.569 1.00 1.52 O ATOM 1035 CB LEU A 62 -0.653 5.899 5.984 1.00 75.43 C ATOM 1036 CG LEU A 62 0.331 7.129 6.045 1.00 11.31 C ATOM 1037 CD1 LEU A 62 1.616 6.934 5.192 1.00 65.42 C ATOM 1038 CD2 LEU A 62 -0.392 8.433 5.640 1.00 71.32 C ATOM 0 H LEU A 62 -0.536 5.995 8.514 1.00 10.30 H new ATOM 0 HA LEU A 62 -1.120 3.909 6.664 1.00 71.45 H new ATOM 0 HB2 LEU A 62 -0.688 5.554 4.951 1.00 75.43 H new ATOM 0 HB3 LEU A 62 -1.651 6.261 6.233 1.00 75.43 H new ATOM 0 HG LEU A 62 0.655 7.204 7.083 1.00 11.31 H new ATOM 0 HD11 LEU A 62 2.248 7.818 5.279 1.00 65.42 H new ATOM 0 HD12 LEU A 62 2.161 6.061 5.550 1.00 65.42 H new ATOM 0 HD13 LEU A 62 1.341 6.787 4.148 1.00 65.42 H new ATOM 0 HD21 LEU A 62 0.308 9.267 5.690 1.00 71.32 H new ATOM 0 HD22 LEU A 62 -0.771 8.338 4.623 1.00 71.32 H new ATOM 0 HD23 LEU A 62 -1.223 8.615 6.321 1.00 71.32 H new ATOM 1050 N LYS A 63 2.009 4.327 7.419 1.00 33.12 N ATOM 1051 CA LYS A 63 3.383 3.807 7.272 1.00 25.34 C ATOM 1052 C LYS A 63 3.419 2.276 7.407 1.00 22.32 C ATOM 1053 O LYS A 63 4.300 1.605 6.839 1.00 31.34 O ATOM 1054 CB LYS A 63 4.335 4.462 8.302 1.00 34.32 C ATOM 1055 CG LYS A 63 4.432 5.998 8.176 1.00 61.54 C ATOM 1056 CD LYS A 63 5.430 6.608 9.188 1.00 73.30 C ATOM 1057 CE LYS A 63 5.460 8.145 9.153 1.00 53.52 C ATOM 1058 NZ LYS A 63 6.459 8.690 10.118 1.00 33.42 N ATOM 0 H LYS A 63 1.888 4.936 8.228 1.00 33.12 H new ATOM 0 HA LYS A 63 3.726 4.066 6.270 1.00 25.34 H new ATOM 0 HB2 LYS A 63 3.996 4.210 9.307 1.00 34.32 H new ATOM 0 HB3 LYS A 63 5.331 4.034 8.185 1.00 34.32 H new ATOM 0 HG2 LYS A 63 4.740 6.259 7.163 1.00 61.54 H new ATOM 0 HG3 LYS A 63 3.446 6.436 8.332 1.00 61.54 H new ATOM 0 HD2 LYS A 63 5.166 6.278 10.193 1.00 73.30 H new ATOM 0 HD3 LYS A 63 6.429 6.226 8.979 1.00 73.30 H new ATOM 0 HE2 LYS A 63 5.702 8.483 8.146 1.00 53.52 H new ATOM 0 HE3 LYS A 63 4.471 8.536 9.391 1.00 53.52 H new ATOM 0 HZ1 LYS A 63 6.456 9.729 10.071 1.00 33.42 H new ATOM 0 HZ2 LYS A 63 6.213 8.386 11.082 1.00 33.42 H new ATOM 0 HZ3 LYS A 63 7.406 8.335 9.875 1.00 33.42 H new ATOM 1072 N LYS A 64 2.425 1.729 8.135 1.00 33.44 N ATOM 1073 CA LYS A 64 2.304 0.287 8.348 1.00 33.32 C ATOM 1074 C LYS A 64 1.944 -0.461 7.054 1.00 51.14 C ATOM 1075 O LYS A 64 2.247 -1.631 6.940 1.00 31.42 O ATOM 1076 CB LYS A 64 1.273 0.000 9.466 1.00 74.11 C ATOM 1077 CG LYS A 64 1.589 0.628 10.847 1.00 25.43 C ATOM 1078 CD LYS A 64 2.872 0.075 11.545 1.00 53.10 C ATOM 1079 CE LYS A 64 4.185 0.753 11.099 1.00 44.03 C ATOM 1080 NZ LYS A 64 5.364 0.226 11.840 1.00 35.51 N ATOM 0 H LYS A 64 1.692 2.277 8.586 1.00 33.44 H new ATOM 0 HA LYS A 64 3.278 -0.087 8.664 1.00 33.32 H new ATOM 0 HB2 LYS A 64 0.298 0.361 9.138 1.00 74.11 H new ATOM 0 HB3 LYS A 64 1.189 -1.080 9.589 1.00 74.11 H new ATOM 0 HG2 LYS A 64 1.697 1.706 10.723 1.00 25.43 H new ATOM 0 HG3 LYS A 64 0.736 0.466 11.507 1.00 25.43 H new ATOM 0 HD2 LYS A 64 2.764 0.194 12.623 1.00 53.10 H new ATOM 0 HD3 LYS A 64 2.945 -0.995 11.348 1.00 53.10 H new ATOM 0 HE2 LYS A 64 4.329 0.596 10.030 1.00 44.03 H new ATOM 0 HE3 LYS A 64 4.109 1.829 11.256 1.00 44.03 H new ATOM 0 HZ1 LYS A 64 6.225 0.708 11.510 1.00 35.51 H new ATOM 0 HZ2 LYS A 64 5.239 0.398 12.858 1.00 35.51 H new ATOM 0 HZ3 LYS A 64 5.452 -0.796 11.670 1.00 35.51 H new ATOM 1094 N LEU A 65 1.344 0.242 6.074 1.00 13.01 N ATOM 1095 CA LEU A 65 0.899 -0.369 4.806 1.00 10.23 C ATOM 1096 C LEU A 65 2.101 -0.755 3.926 1.00 65.21 C ATOM 1097 O LEU A 65 2.217 -1.911 3.512 1.00 63.31 O ATOM 1098 CB LEU A 65 -0.087 0.571 4.051 1.00 71.33 C ATOM 1099 CG LEU A 65 -1.542 0.638 4.624 1.00 45.03 C ATOM 1100 CD1 LEU A 65 -2.194 -0.765 4.667 1.00 44.22 C ATOM 1101 CD2 LEU A 65 -1.567 1.321 6.006 1.00 64.15 C ATOM 0 H LEU A 65 1.155 1.242 6.138 1.00 13.01 H new ATOM 0 HA LEU A 65 0.361 -1.287 5.043 1.00 10.23 H new ATOM 0 HB2 LEU A 65 0.330 1.578 4.051 1.00 71.33 H new ATOM 0 HB3 LEU A 65 -0.141 0.249 3.011 1.00 71.33 H new ATOM 0 HG LEU A 65 -2.138 1.251 3.948 1.00 45.03 H new ATOM 0 HD11 LEU A 65 -3.204 -0.685 5.070 1.00 44.22 H new ATOM 0 HD12 LEU A 65 -2.237 -1.177 3.659 1.00 44.22 H new ATOM 0 HD13 LEU A 65 -1.601 -1.422 5.303 1.00 44.22 H new ATOM 0 HD21 LEU A 65 -2.591 1.353 6.378 1.00 64.15 H new ATOM 0 HD22 LEU A 65 -0.946 0.757 6.702 1.00 64.15 H new ATOM 0 HD23 LEU A 65 -1.182 2.337 5.917 1.00 64.15 H new ATOM 1113 N LEU A 66 2.997 0.216 3.674 1.00 2.11 N ATOM 1114 CA LEU A 66 4.265 -0.047 2.956 1.00 62.35 C ATOM 1115 C LEU A 66 5.166 -1.015 3.760 1.00 63.45 C ATOM 1116 O LEU A 66 5.936 -1.786 3.173 1.00 52.43 O ATOM 1117 CB LEU A 66 5.034 1.268 2.594 1.00 62.22 C ATOM 1118 CG LEU A 66 5.263 2.316 3.756 1.00 51.12 C ATOM 1119 CD1 LEU A 66 6.638 3.034 3.658 1.00 75.44 C ATOM 1120 CD2 LEU A 66 4.125 3.358 3.801 1.00 13.03 C ATOM 0 H LEU A 66 2.870 1.188 3.955 1.00 2.11 H new ATOM 0 HA LEU A 66 4.000 -0.525 2.013 1.00 62.35 H new ATOM 0 HB2 LEU A 66 6.009 0.990 2.194 1.00 62.22 H new ATOM 0 HB3 LEU A 66 4.490 1.767 1.792 1.00 62.22 H new ATOM 0 HG LEU A 66 5.260 1.744 4.684 1.00 51.12 H new ATOM 0 HD11 LEU A 66 6.739 3.741 4.481 1.00 75.44 H new ATOM 0 HD12 LEU A 66 7.438 2.296 3.713 1.00 75.44 H new ATOM 0 HD13 LEU A 66 6.702 3.569 2.710 1.00 75.44 H new ATOM 0 HD21 LEU A 66 4.311 4.065 4.610 1.00 13.03 H new ATOM 0 HD22 LEU A 66 4.085 3.894 2.853 1.00 13.03 H new ATOM 0 HD23 LEU A 66 3.175 2.852 3.972 1.00 13.03 H new ATOM 1132 N GLU A 67 5.055 -0.967 5.106 1.00 14.43 N ATOM 1133 CA GLU A 67 5.730 -1.930 6.009 1.00 5.13 C ATOM 1134 C GLU A 67 5.179 -3.372 5.804 1.00 35.21 C ATOM 1135 O GLU A 67 5.945 -4.344 5.830 1.00 5.51 O ATOM 1136 CB GLU A 67 5.633 -1.407 7.501 1.00 23.14 C ATOM 1137 CG GLU A 67 5.125 -2.384 8.595 1.00 54.45 C ATOM 1138 CD GLU A 67 6.064 -3.570 8.905 1.00 42.52 C ATOM 1139 OE1 GLU A 67 7.268 -3.344 9.154 1.00 34.32 O ATOM 1140 OE2 GLU A 67 5.588 -4.721 8.916 1.00 21.42 O ATOM 0 H GLU A 67 4.500 -0.266 5.596 1.00 14.43 H new ATOM 0 HA GLU A 67 6.790 -1.995 5.764 1.00 5.13 H new ATOM 0 HB2 GLU A 67 6.624 -1.063 7.797 1.00 23.14 H new ATOM 0 HB3 GLU A 67 4.979 -0.535 7.505 1.00 23.14 H new ATOM 0 HG2 GLU A 67 4.961 -1.821 9.514 1.00 54.45 H new ATOM 0 HG3 GLU A 67 4.157 -2.779 8.286 1.00 54.45 H new ATOM 1147 N ARG A 68 3.864 -3.500 5.584 1.00 50.14 N ATOM 1148 CA ARG A 68 3.212 -4.809 5.374 1.00 52.40 C ATOM 1149 C ARG A 68 3.575 -5.416 4.004 1.00 14.12 C ATOM 1150 O ARG A 68 3.464 -6.623 3.824 1.00 31.11 O ATOM 1151 CB ARG A 68 1.670 -4.683 5.517 1.00 34.25 C ATOM 1152 CG ARG A 68 1.121 -4.432 6.947 1.00 24.22 C ATOM 1153 CD ARG A 68 1.240 -5.638 7.893 1.00 62.32 C ATOM 1154 NE ARG A 68 2.630 -5.949 8.279 1.00 64.33 N ATOM 1155 CZ ARG A 68 3.112 -7.180 8.506 1.00 3.43 C ATOM 1156 NH1 ARG A 68 2.340 -8.259 8.393 1.00 75.13 N ATOM 1157 NH2 ARG A 68 4.377 -7.337 8.852 1.00 44.35 N ATOM 0 H ARG A 68 3.222 -2.708 5.546 1.00 50.14 H new ATOM 0 HA ARG A 68 3.584 -5.484 6.145 1.00 52.40 H new ATOM 0 HB2 ARG A 68 1.334 -3.868 4.876 1.00 34.25 H new ATOM 0 HB3 ARG A 68 1.217 -5.597 5.134 1.00 34.25 H new ATOM 0 HG2 ARG A 68 1.654 -3.588 7.385 1.00 24.22 H new ATOM 0 HG3 ARG A 68 0.072 -4.144 6.875 1.00 24.22 H new ATOM 0 HD2 ARG A 68 0.657 -5.443 8.793 1.00 62.32 H new ATOM 0 HD3 ARG A 68 0.801 -6.512 7.412 1.00 62.32 H new ATOM 0 HE ARG A 68 3.275 -5.166 8.381 1.00 64.33 H new ATOM 0 HH11 ARG A 68 1.360 -8.159 8.129 1.00 75.13 H new ATOM 0 HH12 ARG A 68 2.729 -9.185 8.571 1.00 75.13 H new ATOM 0 HH21 ARG A 68 4.985 -6.523 8.946 1.00 44.35 H new ATOM 0 HH22 ARG A 68 4.746 -8.272 9.025 1.00 44.35 H new ATOM 1171 N ILE A 69 3.985 -4.561 3.051 1.00 0.51 N ATOM 1172 CA ILE A 69 4.397 -4.978 1.693 1.00 12.01 C ATOM 1173 C ILE A 69 5.856 -5.459 1.707 1.00 21.44 C ATOM 1174 O ILE A 69 6.191 -6.528 1.164 1.00 73.34 O ATOM 1175 CB ILE A 69 4.260 -3.778 0.681 1.00 61.23 C ATOM 1176 CG1 ILE A 69 2.802 -3.220 0.682 1.00 51.41 C ATOM 1177 CG2 ILE A 69 4.707 -4.179 -0.749 1.00 75.42 C ATOM 1178 CD1 ILE A 69 2.647 -1.879 -0.010 1.00 71.43 C ATOM 0 H ILE A 69 4.041 -3.553 3.199 1.00 0.51 H new ATOM 0 HA ILE A 69 3.746 -5.792 1.375 1.00 12.01 H new ATOM 0 HB ILE A 69 4.929 -2.985 1.015 1.00 61.23 H new ATOM 0 HG12 ILE A 69 2.148 -3.944 0.196 1.00 51.41 H new ATOM 0 HG13 ILE A 69 2.462 -3.125 1.713 1.00 51.41 H new ATOM 0 HG21 ILE A 69 4.598 -3.325 -1.417 1.00 75.42 H new ATOM 0 HG22 ILE A 69 5.751 -4.493 -0.729 1.00 75.42 H new ATOM 0 HG23 ILE A 69 4.087 -5.001 -1.107 1.00 75.42 H new ATOM 0 HD11 ILE A 69 1.604 -1.564 0.036 1.00 71.43 H new ATOM 0 HD12 ILE A 69 3.272 -1.138 0.488 1.00 71.43 H new ATOM 0 HD13 ILE A 69 2.953 -1.970 -1.052 1.00 71.43 H new ATOM 1190 N ARG A 70 6.718 -4.649 2.345 1.00 61.43 N ATOM 1191 CA ARG A 70 8.174 -4.866 2.339 1.00 23.53 C ATOM 1192 C ARG A 70 8.535 -6.219 2.966 1.00 4.22 C ATOM 1193 O ARG A 70 9.428 -6.917 2.479 1.00 2.45 O ATOM 1194 CB ARG A 70 8.910 -3.677 3.029 1.00 1.51 C ATOM 1195 CG ARG A 70 8.709 -3.502 4.557 1.00 14.34 C ATOM 1196 CD ARG A 70 9.748 -4.242 5.419 1.00 13.12 C ATOM 1197 NE ARG A 70 9.502 -4.103 6.864 1.00 41.02 N ATOM 1198 CZ ARG A 70 10.263 -4.663 7.818 1.00 42.15 C ATOM 1199 NH1 ARG A 70 11.314 -5.416 7.504 1.00 10.31 N ATOM 1200 NH2 ARG A 70 9.978 -4.453 9.089 1.00 2.45 N ATOM 0 H ARG A 70 6.426 -3.829 2.877 1.00 61.43 H new ATOM 0 HA ARG A 70 8.515 -4.900 1.304 1.00 23.53 H new ATOM 0 HB2 ARG A 70 9.978 -3.787 2.840 1.00 1.51 H new ATOM 0 HB3 ARG A 70 8.593 -2.756 2.540 1.00 1.51 H new ATOM 0 HG2 ARG A 70 8.745 -2.439 4.797 1.00 14.34 H new ATOM 0 HG3 ARG A 70 7.713 -3.856 4.824 1.00 14.34 H new ATOM 0 HD2 ARG A 70 9.743 -5.300 5.156 1.00 13.12 H new ATOM 0 HD3 ARG A 70 10.742 -3.860 5.187 1.00 13.12 H new ATOM 0 HE ARG A 70 8.701 -3.545 7.160 1.00 41.02 H new ATOM 0 HH11 ARG A 70 11.553 -5.576 6.525 1.00 10.31 H new ATOM 0 HH12 ARG A 70 11.881 -5.834 8.242 1.00 10.31 H new ATOM 0 HH21 ARG A 70 9.182 -3.867 9.343 1.00 2.45 H new ATOM 0 HH22 ARG A 70 10.553 -4.876 9.817 1.00 2.45 H new ATOM 1214 N GLU A 71 7.780 -6.611 4.010 1.00 52.42 N ATOM 1215 CA GLU A 71 8.052 -7.843 4.749 1.00 1.11 C ATOM 1216 C GLU A 71 7.749 -9.045 3.849 1.00 2.02 C ATOM 1217 O GLU A 71 8.404 -10.084 3.954 1.00 21.11 O ATOM 1218 CB GLU A 71 7.239 -7.877 6.073 1.00 72.12 C ATOM 1219 CG GLU A 71 5.711 -8.122 5.939 1.00 32.13 C ATOM 1220 CD GLU A 71 5.279 -9.562 6.305 1.00 32.25 C ATOM 1221 OE1 GLU A 71 4.783 -9.793 7.424 1.00 72.30 O ATOM 1222 OE2 GLU A 71 5.455 -10.474 5.488 1.00 51.52 O ATOM 0 H GLU A 71 6.977 -6.086 4.356 1.00 52.42 H new ATOM 0 HA GLU A 71 9.105 -7.885 5.029 1.00 1.11 H new ATOM 0 HB2 GLU A 71 7.656 -8.657 6.710 1.00 72.12 H new ATOM 0 HB3 GLU A 71 7.389 -6.929 6.590 1.00 72.12 H new ATOM 0 HG2 GLU A 71 5.181 -7.419 6.581 1.00 32.13 H new ATOM 0 HG3 GLU A 71 5.406 -7.910 4.914 1.00 32.13 H new ATOM 1229 N LYS A 72 6.759 -8.856 2.932 1.00 71.14 N ATOM 1230 CA LYS A 72 6.350 -9.885 1.965 1.00 34.24 C ATOM 1231 C LYS A 72 7.509 -10.130 1.002 1.00 0.51 C ATOM 1232 O LYS A 72 8.019 -11.236 0.925 1.00 41.53 O ATOM 1233 CB LYS A 72 5.083 -9.478 1.154 1.00 55.53 C ATOM 1234 CG LYS A 72 3.867 -9.061 1.991 1.00 21.42 C ATOM 1235 CD LYS A 72 3.418 -10.145 2.987 1.00 53.33 C ATOM 1236 CE LYS A 72 2.169 -9.733 3.784 1.00 54.24 C ATOM 1237 NZ LYS A 72 1.031 -9.426 2.878 1.00 72.24 N ATOM 0 H LYS A 72 6.232 -7.987 2.852 1.00 71.14 H new ATOM 0 HA LYS A 72 6.097 -10.788 2.521 1.00 34.24 H new ATOM 0 HB2 LYS A 72 5.346 -8.653 0.492 1.00 55.53 H new ATOM 0 HB3 LYS A 72 4.795 -10.316 0.519 1.00 55.53 H new ATOM 0 HG2 LYS A 72 4.106 -8.150 2.539 1.00 21.42 H new ATOM 0 HG3 LYS A 72 3.038 -8.824 1.324 1.00 21.42 H new ATOM 0 HD2 LYS A 72 3.211 -11.068 2.445 1.00 53.33 H new ATOM 0 HD3 LYS A 72 4.233 -10.357 3.679 1.00 53.33 H new ATOM 0 HE2 LYS A 72 1.888 -10.536 4.466 1.00 54.24 H new ATOM 0 HE3 LYS A 72 2.396 -8.860 4.396 1.00 54.24 H new ATOM 0 HZ1 LYS A 72 0.172 -9.267 3.442 1.00 72.24 H new ATOM 0 HZ2 LYS A 72 1.247 -8.571 2.327 1.00 72.24 H new ATOM 0 HZ3 LYS A 72 0.877 -10.225 2.231 1.00 72.24 H new ATOM 1251 N ILE A 73 7.957 -9.054 0.319 1.00 44.22 N ATOM 1252 CA ILE A 73 8.960 -9.162 -0.770 1.00 53.21 C ATOM 1253 C ILE A 73 10.328 -9.684 -0.256 1.00 14.52 C ATOM 1254 O ILE A 73 11.085 -10.295 -1.017 1.00 72.42 O ATOM 1255 CB ILE A 73 9.093 -7.808 -1.593 1.00 74.24 C ATOM 1256 CG1 ILE A 73 9.656 -6.597 -0.750 1.00 22.40 C ATOM 1257 CG2 ILE A 73 7.716 -7.440 -2.202 1.00 62.41 C ATOM 1258 CD1 ILE A 73 11.181 -6.462 -0.685 1.00 20.04 C ATOM 0 H ILE A 73 7.642 -8.101 0.500 1.00 44.22 H new ATOM 0 HA ILE A 73 8.590 -9.913 -1.469 1.00 53.21 H new ATOM 0 HB ILE A 73 9.827 -7.990 -2.378 1.00 74.24 H new ATOM 0 HG12 ILE A 73 9.249 -5.674 -1.164 1.00 22.40 H new ATOM 0 HG13 ILE A 73 9.277 -6.684 0.268 1.00 22.40 H new ATOM 0 HG21 ILE A 73 7.804 -6.512 -2.767 1.00 62.41 H new ATOM 0 HG22 ILE A 73 7.387 -8.239 -2.866 1.00 62.41 H new ATOM 0 HG23 ILE A 73 6.987 -7.310 -1.402 1.00 62.41 H new ATOM 0 HD11 ILE A 73 11.444 -5.595 -0.079 1.00 20.04 H new ATOM 0 HD12 ILE A 73 11.607 -7.360 -0.238 1.00 20.04 H new ATOM 0 HD13 ILE A 73 11.578 -6.335 -1.692 1.00 20.04 H new ATOM 1270 N GLU A 74 10.620 -9.442 1.044 1.00 33.34 N ATOM 1271 CA GLU A 74 11.841 -9.960 1.715 1.00 41.41 C ATOM 1272 C GLU A 74 11.701 -11.456 2.118 1.00 72.43 C ATOM 1273 O GLU A 74 12.670 -12.217 2.017 1.00 44.41 O ATOM 1274 CB GLU A 74 12.182 -9.087 2.957 1.00 72.13 C ATOM 1275 CG GLU A 74 12.469 -7.605 2.629 1.00 62.05 C ATOM 1276 CD GLU A 74 12.727 -6.725 3.867 1.00 44.54 C ATOM 1277 OE1 GLU A 74 13.811 -6.106 3.959 1.00 15.14 O ATOM 1278 OE2 GLU A 74 11.862 -6.672 4.766 1.00 55.52 O ATOM 0 H GLU A 74 10.022 -8.886 1.655 1.00 33.34 H new ATOM 0 HA GLU A 74 12.660 -9.898 0.998 1.00 41.41 H new ATOM 0 HB2 GLU A 74 11.352 -9.137 3.662 1.00 72.13 H new ATOM 0 HB3 GLU A 74 13.052 -9.512 3.458 1.00 72.13 H new ATOM 0 HG2 GLU A 74 13.336 -7.551 1.971 1.00 62.05 H new ATOM 0 HG3 GLU A 74 11.623 -7.196 2.076 1.00 62.05 H new ATOM 1285 N ARG A 75 10.500 -11.859 2.586 1.00 52.51 N ATOM 1286 CA ARG A 75 10.224 -13.262 3.012 1.00 23.11 C ATOM 1287 C ARG A 75 10.063 -14.207 1.806 1.00 13.12 C ATOM 1288 O ARG A 75 10.572 -15.333 1.816 1.00 62.22 O ATOM 1289 CB ARG A 75 8.944 -13.322 3.886 1.00 70.03 C ATOM 1290 CG ARG A 75 9.110 -12.854 5.350 1.00 4.02 C ATOM 1291 CD ARG A 75 7.759 -12.827 6.102 1.00 25.01 C ATOM 1292 NE ARG A 75 6.981 -14.071 5.916 1.00 42.03 N ATOM 1293 CZ ARG A 75 5.854 -14.188 5.179 1.00 33.51 C ATOM 1294 NH1 ARG A 75 5.337 -13.139 4.546 1.00 51.14 N ATOM 1295 NH2 ARG A 75 5.272 -15.367 5.054 1.00 13.13 N ATOM 0 H ARG A 75 9.699 -11.235 2.681 1.00 52.51 H new ATOM 0 HA ARG A 75 11.083 -13.595 3.594 1.00 23.11 H new ATOM 0 HB2 ARG A 75 8.175 -12.711 3.414 1.00 70.03 H new ATOM 0 HB3 ARG A 75 8.578 -14.349 3.891 1.00 70.03 H new ATOM 0 HG2 ARG A 75 9.801 -13.519 5.868 1.00 4.02 H new ATOM 0 HG3 ARG A 75 9.554 -11.859 5.365 1.00 4.02 H new ATOM 0 HD2 ARG A 75 7.942 -12.673 7.165 1.00 25.01 H new ATOM 0 HD3 ARG A 75 7.170 -11.979 5.753 1.00 25.01 H new ATOM 0 HE ARG A 75 7.323 -14.911 6.383 1.00 42.03 H new ATOM 0 HH11 ARG A 75 5.792 -12.228 4.612 1.00 51.14 H new ATOM 0 HH12 ARG A 75 4.486 -13.245 3.994 1.00 51.14 H new ATOM 0 HH21 ARG A 75 5.673 -16.185 5.513 1.00 13.13 H new ATOM 0 HH22 ARG A 75 4.421 -15.460 4.499 1.00 13.13 H new ATOM 1309 N GLU A 76 9.311 -13.747 0.794 1.00 10.45 N ATOM 1310 CA GLU A 76 9.058 -14.516 -0.432 1.00 11.45 C ATOM 1311 C GLU A 76 10.332 -14.566 -1.281 1.00 40.32 C ATOM 1312 O GLU A 76 10.710 -15.620 -1.801 1.00 60.23 O ATOM 1313 CB GLU A 76 7.892 -13.887 -1.256 1.00 50.05 C ATOM 1314 CG GLU A 76 6.576 -13.633 -0.479 1.00 13.33 C ATOM 1315 CD GLU A 76 6.023 -14.873 0.243 1.00 20.35 C ATOM 1316 OE1 GLU A 76 6.095 -14.934 1.499 1.00 14.43 O ATOM 1317 OE2 GLU A 76 5.509 -15.787 -0.439 1.00 71.33 O ATOM 0 H GLU A 76 8.862 -12.831 0.804 1.00 10.45 H new ATOM 0 HA GLU A 76 8.767 -15.528 -0.151 1.00 11.45 H new ATOM 0 HB2 GLU A 76 8.236 -12.939 -1.670 1.00 50.05 H new ATOM 0 HB3 GLU A 76 7.673 -14.543 -2.099 1.00 50.05 H new ATOM 0 HG2 GLU A 76 6.746 -12.845 0.254 1.00 13.33 H new ATOM 0 HG3 GLU A 76 5.822 -13.264 -1.174 1.00 13.33 H new ATOM 1324 N GLY A 77 10.978 -13.389 -1.415 1.00 11.24 N ATOM 1325 CA GLY A 77 12.189 -13.225 -2.235 1.00 0.24 C ATOM 1326 C GLY A 77 11.911 -13.216 -3.738 1.00 1.21 C ATOM 1327 O GLY A 77 12.812 -12.970 -4.544 1.00 13.32 O ATOM 0 H GLY A 77 10.673 -12.530 -0.958 1.00 11.24 H new ATOM 0 HA2 GLY A 77 12.682 -12.293 -1.959 1.00 0.24 H new ATOM 0 HA3 GLY A 77 12.885 -14.033 -2.007 1.00 0.24 H new ATOM 1331 N SER A 78 10.646 -13.462 -4.110 1.00 75.12 N ATOM 1332 CA SER A 78 10.224 -13.641 -5.494 1.00 33.24 C ATOM 1333 C SER A 78 10.076 -12.272 -6.180 1.00 32.21 C ATOM 1334 O SER A 78 9.649 -11.292 -5.554 1.00 60.22 O ATOM 1335 CB SER A 78 8.904 -14.436 -5.507 1.00 50.41 C ATOM 1336 OG SER A 78 7.921 -13.801 -4.709 1.00 13.43 O ATOM 0 H SER A 78 9.880 -13.542 -3.441 1.00 75.12 H new ATOM 0 HA SER A 78 10.973 -14.202 -6.053 1.00 33.24 H new ATOM 0 HB2 SER A 78 8.542 -14.529 -6.531 1.00 50.41 H new ATOM 0 HB3 SER A 78 9.080 -15.446 -5.138 1.00 50.41 H new ATOM 0 HG SER A 78 7.150 -14.397 -4.604 1.00 13.43 H new ATOM 1342 N SER A 79 10.445 -12.228 -7.469 1.00 54.44 N ATOM 1343 CA SER A 79 10.436 -11.007 -8.286 1.00 55.42 C ATOM 1344 C SER A 79 9.001 -10.637 -8.716 1.00 64.25 C ATOM 1345 O SER A 79 8.686 -9.453 -8.888 1.00 74.04 O ATOM 1346 CB SER A 79 11.347 -11.229 -9.520 1.00 51.13 C ATOM 1347 OG SER A 79 11.497 -10.060 -10.304 1.00 51.24 O ATOM 0 H SER A 79 10.762 -13.052 -7.980 1.00 54.44 H new ATOM 0 HA SER A 79 10.818 -10.173 -7.697 1.00 55.42 H new ATOM 0 HB2 SER A 79 12.328 -11.566 -9.186 1.00 51.13 H new ATOM 0 HB3 SER A 79 10.929 -12.024 -10.137 1.00 51.13 H new ATOM 0 HG SER A 79 12.080 -10.251 -11.068 1.00 51.24 H new ATOM 1353 N GLU A 80 8.137 -11.664 -8.879 1.00 41.53 N ATOM 1354 CA GLU A 80 6.742 -11.495 -9.337 1.00 1.24 C ATOM 1355 C GLU A 80 5.872 -10.862 -8.223 1.00 3.53 C ATOM 1356 O GLU A 80 5.245 -11.570 -7.416 1.00 3.00 O ATOM 1357 CB GLU A 80 6.171 -12.867 -9.811 1.00 2.34 C ATOM 1358 CG GLU A 80 4.696 -12.855 -10.282 1.00 12.15 C ATOM 1359 CD GLU A 80 4.433 -11.984 -11.528 1.00 11.30 C ATOM 1360 OE1 GLU A 80 4.432 -12.524 -12.659 1.00 13.51 O ATOM 1361 OE2 GLU A 80 4.216 -10.758 -11.383 1.00 11.03 O ATOM 0 H GLU A 80 8.389 -12.635 -8.696 1.00 41.53 H new ATOM 0 HA GLU A 80 6.723 -10.811 -10.185 1.00 1.24 H new ATOM 0 HB2 GLU A 80 6.791 -13.235 -10.629 1.00 2.34 H new ATOM 0 HB3 GLU A 80 6.266 -13.581 -8.993 1.00 2.34 H new ATOM 0 HG2 GLU A 80 4.387 -13.878 -10.497 1.00 12.15 H new ATOM 0 HG3 GLU A 80 4.069 -12.498 -9.465 1.00 12.15 H new ATOM 1368 N VAL A 81 5.901 -9.513 -8.157 1.00 25.52 N ATOM 1369 CA VAL A 81 5.163 -8.710 -7.152 1.00 10.32 C ATOM 1370 C VAL A 81 4.480 -7.509 -7.841 1.00 52.42 C ATOM 1371 O VAL A 81 5.108 -6.799 -8.639 1.00 40.41 O ATOM 1372 CB VAL A 81 6.103 -8.165 -6.001 1.00 55.54 C ATOM 1373 CG1 VAL A 81 5.293 -7.369 -4.940 1.00 11.21 C ATOM 1374 CG2 VAL A 81 6.918 -9.308 -5.348 1.00 74.23 C ATOM 0 H VAL A 81 6.443 -8.943 -8.806 1.00 25.52 H new ATOM 0 HA VAL A 81 4.424 -9.371 -6.700 1.00 10.32 H new ATOM 0 HB VAL A 81 6.814 -7.476 -6.457 1.00 55.54 H new ATOM 0 HG11 VAL A 81 5.967 -7.008 -4.163 1.00 11.21 H new ATOM 0 HG12 VAL A 81 4.803 -6.521 -5.418 1.00 11.21 H new ATOM 0 HG13 VAL A 81 4.540 -8.019 -4.494 1.00 11.21 H new ATOM 0 HG21 VAL A 81 7.553 -8.899 -4.562 1.00 74.23 H new ATOM 0 HG22 VAL A 81 6.236 -10.042 -4.919 1.00 74.23 H new ATOM 0 HG23 VAL A 81 7.540 -9.789 -6.103 1.00 74.23 H new ATOM 1384 N GLU A 82 3.195 -7.298 -7.512 1.00 63.31 N ATOM 1385 CA GLU A 82 2.379 -6.175 -7.995 1.00 72.20 C ATOM 1386 C GLU A 82 1.455 -5.699 -6.855 1.00 43.11 C ATOM 1387 O GLU A 82 0.596 -6.456 -6.397 1.00 35.14 O ATOM 1388 CB GLU A 82 1.533 -6.625 -9.213 1.00 35.42 C ATOM 1389 CG GLU A 82 0.612 -5.532 -9.795 1.00 24.12 C ATOM 1390 CD GLU A 82 -0.348 -6.073 -10.864 1.00 62.11 C ATOM 1391 OE1 GLU A 82 -1.463 -6.527 -10.506 1.00 23.30 O ATOM 1392 OE2 GLU A 82 0.007 -6.063 -12.058 1.00 3.22 O ATOM 0 H GLU A 82 2.683 -7.920 -6.887 1.00 63.31 H new ATOM 0 HA GLU A 82 3.027 -5.355 -8.305 1.00 72.20 H new ATOM 0 HB2 GLU A 82 2.206 -6.971 -9.998 1.00 35.42 H new ATOM 0 HB3 GLU A 82 0.922 -7.478 -8.919 1.00 35.42 H new ATOM 0 HG2 GLU A 82 0.034 -5.082 -8.988 1.00 24.12 H new ATOM 0 HG3 GLU A 82 1.223 -4.741 -10.229 1.00 24.12 H new ATOM 1399 N VAL A 83 1.623 -4.446 -6.411 1.00 53.53 N ATOM 1400 CA VAL A 83 0.812 -3.851 -5.336 1.00 5.31 C ATOM 1401 C VAL A 83 -0.286 -2.973 -5.955 1.00 53.14 C ATOM 1402 O VAL A 83 0.009 -1.997 -6.642 1.00 41.32 O ATOM 1403 CB VAL A 83 1.683 -2.972 -4.368 1.00 34.34 C ATOM 1404 CG1 VAL A 83 0.825 -2.405 -3.208 1.00 62.54 C ATOM 1405 CG2 VAL A 83 2.905 -3.762 -3.846 1.00 31.01 C ATOM 0 H VAL A 83 2.328 -3.813 -6.788 1.00 53.53 H new ATOM 0 HA VAL A 83 0.375 -4.665 -4.757 1.00 5.31 H new ATOM 0 HB VAL A 83 2.065 -2.123 -4.934 1.00 34.34 H new ATOM 0 HG11 VAL A 83 1.453 -1.801 -2.553 1.00 62.54 H new ATOM 0 HG12 VAL A 83 0.025 -1.787 -3.616 1.00 62.54 H new ATOM 0 HG13 VAL A 83 0.393 -3.228 -2.639 1.00 62.54 H new ATOM 0 HG21 VAL A 83 3.490 -3.129 -3.179 1.00 31.01 H new ATOM 0 HG22 VAL A 83 2.564 -4.644 -3.303 1.00 31.01 H new ATOM 0 HG23 VAL A 83 3.525 -4.071 -4.688 1.00 31.01 H new ATOM 1415 N ASN A 84 -1.546 -3.343 -5.716 1.00 24.10 N ATOM 1416 CA ASN A 84 -2.714 -2.597 -6.184 1.00 21.45 C ATOM 1417 C ASN A 84 -3.270 -1.797 -5.008 1.00 73.32 C ATOM 1418 O ASN A 84 -3.842 -2.368 -4.083 1.00 5.34 O ATOM 1419 CB ASN A 84 -3.795 -3.579 -6.724 1.00 70.33 C ATOM 1420 CG ASN A 84 -3.412 -4.344 -7.998 1.00 60.34 C ATOM 1421 OD1 ASN A 84 -4.251 -4.587 -8.857 1.00 55.22 O ATOM 1422 ND2 ASN A 84 -2.165 -4.763 -8.130 1.00 4.01 N ATOM 0 H ASN A 84 -1.786 -4.180 -5.185 1.00 24.10 H new ATOM 0 HA ASN A 84 -2.431 -1.925 -6.994 1.00 21.45 H new ATOM 0 HB2 ASN A 84 -4.027 -4.302 -5.942 1.00 70.33 H new ATOM 0 HB3 ASN A 84 -4.708 -3.016 -6.919 1.00 70.33 H new ATOM 0 HD21 ASN A 84 -1.891 -5.296 -8.955 1.00 4.01 H new ATOM 0 HD22 ASN A 84 -1.477 -4.553 -7.407 1.00 4.01 H new ATOM 1429 N VAL A 85 -3.084 -0.480 -5.047 1.00 74.15 N ATOM 1430 CA VAL A 85 -3.623 0.435 -4.035 1.00 15.20 C ATOM 1431 C VAL A 85 -4.987 0.918 -4.542 1.00 63.33 C ATOM 1432 O VAL A 85 -5.068 1.634 -5.531 1.00 64.14 O ATOM 1433 CB VAL A 85 -2.650 1.653 -3.771 1.00 22.24 C ATOM 1434 CG1 VAL A 85 -3.223 2.609 -2.695 1.00 40.50 C ATOM 1435 CG2 VAL A 85 -1.227 1.157 -3.389 1.00 43.34 C ATOM 0 H VAL A 85 -2.554 -0.012 -5.782 1.00 74.15 H new ATOM 0 HA VAL A 85 -3.727 -0.081 -3.081 1.00 15.20 H new ATOM 0 HB VAL A 85 -2.566 2.219 -4.698 1.00 22.24 H new ATOM 0 HG11 VAL A 85 -2.530 3.436 -2.537 1.00 40.50 H new ATOM 0 HG12 VAL A 85 -4.184 3.000 -3.030 1.00 40.50 H new ATOM 0 HG13 VAL A 85 -3.358 2.065 -1.760 1.00 40.50 H new ATOM 0 HG21 VAL A 85 -0.578 2.015 -3.213 1.00 43.34 H new ATOM 0 HG22 VAL A 85 -1.283 0.552 -2.484 1.00 43.34 H new ATOM 0 HG23 VAL A 85 -0.821 0.556 -4.202 1.00 43.34 H new ATOM 1445 N HIS A 86 -6.054 0.440 -3.899 1.00 2.53 N ATOM 1446 CA HIS A 86 -7.438 0.782 -4.237 1.00 0.21 C ATOM 1447 C HIS A 86 -7.929 1.857 -3.260 1.00 74.13 C ATOM 1448 O HIS A 86 -7.791 1.684 -2.051 1.00 32.35 O ATOM 1449 CB HIS A 86 -8.340 -0.473 -4.131 1.00 53.35 C ATOM 1450 CG HIS A 86 -7.863 -1.677 -4.904 1.00 35.24 C ATOM 1451 ND1 HIS A 86 -8.270 -1.958 -6.187 1.00 75.42 N ATOM 1452 CD2 HIS A 86 -7.029 -2.688 -4.553 1.00 12.53 C ATOM 1453 CE1 HIS A 86 -7.719 -3.082 -6.586 1.00 41.33 C ATOM 1454 NE2 HIS A 86 -6.961 -3.547 -5.618 1.00 15.40 N ATOM 0 H HIS A 86 -5.980 -0.207 -3.114 1.00 2.53 H new ATOM 0 HA HIS A 86 -7.484 1.156 -5.260 1.00 0.21 H new ATOM 0 HB2 HIS A 86 -8.429 -0.748 -3.080 1.00 53.35 H new ATOM 0 HB3 HIS A 86 -9.340 -0.212 -4.478 1.00 53.35 H new ATOM 0 HD2 HIS A 86 -6.514 -2.796 -3.610 1.00 12.53 H new ATOM 0 HE1 HIS A 86 -7.865 -3.547 -7.550 1.00 41.33 H new ATOM 0 HE2 HIS A 86 -6.412 -4.406 -5.654 1.00 15.40 H new ATOM 1463 N SER A 87 -8.486 2.954 -3.784 1.00 63.35 N ATOM 1464 CA SER A 87 -9.043 4.037 -2.975 1.00 71.34 C ATOM 1465 C SER A 87 -10.060 4.823 -3.818 1.00 11.13 C ATOM 1466 O SER A 87 -9.683 5.465 -4.811 1.00 4.42 O ATOM 1467 CB SER A 87 -7.918 4.957 -2.449 1.00 1.13 C ATOM 1468 OG SER A 87 -8.435 5.967 -1.604 1.00 34.04 O ATOM 0 H SER A 87 -8.562 3.114 -4.788 1.00 63.35 H new ATOM 0 HA SER A 87 -9.553 3.620 -2.107 1.00 71.34 H new ATOM 0 HB2 SER A 87 -7.185 4.363 -1.903 1.00 1.13 H new ATOM 0 HB3 SER A 87 -7.396 5.415 -3.290 1.00 1.13 H new ATOM 0 HG SER A 87 -8.686 5.575 -0.742 1.00 34.04 H new ATOM 1474 N GLY A 88 -11.349 4.724 -3.437 1.00 1.45 N ATOM 1475 CA GLY A 88 -12.436 5.446 -4.103 1.00 14.40 C ATOM 1476 C GLY A 88 -12.772 4.884 -5.485 1.00 3.44 C ATOM 1477 O GLY A 88 -13.249 5.609 -6.357 1.00 1.11 O ATOM 0 H GLY A 88 -11.659 4.141 -2.660 1.00 1.45 H new ATOM 0 HA2 GLY A 88 -13.327 5.408 -3.476 1.00 14.40 H new ATOM 0 HA3 GLY A 88 -12.160 6.496 -4.202 1.00 14.40 H new ATOM 1481 N GLY A 89 -12.488 3.580 -5.679 1.00 74.45 N ATOM 1482 CA GLY A 89 -12.647 2.909 -6.978 1.00 65.44 C ATOM 1483 C GLY A 89 -11.394 2.965 -7.844 1.00 64.44 C ATOM 1484 O GLY A 89 -11.238 2.162 -8.774 1.00 12.44 O ATOM 0 H GLY A 89 -12.143 2.967 -4.940 1.00 74.45 H new ATOM 0 HA2 GLY A 89 -12.917 1.867 -6.810 1.00 65.44 H new ATOM 0 HA3 GLY A 89 -13.474 3.370 -7.518 1.00 65.44 H new ATOM 1488 N GLN A 90 -10.481 3.898 -7.518 1.00 22.22 N ATOM 1489 CA GLN A 90 -9.221 4.101 -8.247 1.00 61.40 C ATOM 1490 C GLN A 90 -8.197 3.043 -7.817 1.00 40.43 C ATOM 1491 O GLN A 90 -8.147 2.677 -6.648 1.00 41.11 O ATOM 1492 CB GLN A 90 -8.663 5.512 -7.937 1.00 43.11 C ATOM 1493 CG GLN A 90 -9.588 6.671 -8.344 1.00 72.22 C ATOM 1494 CD GLN A 90 -9.108 8.062 -7.889 1.00 74.21 C ATOM 1495 OE1 GLN A 90 -9.318 9.052 -8.580 1.00 33.33 O ATOM 1496 NE2 GLN A 90 -8.512 8.151 -6.702 1.00 71.22 N ATOM 0 H GLN A 90 -10.601 4.538 -6.732 1.00 22.22 H new ATOM 0 HA GLN A 90 -9.408 4.010 -9.317 1.00 61.40 H new ATOM 0 HB2 GLN A 90 -8.463 5.582 -6.868 1.00 43.11 H new ATOM 0 HB3 GLN A 90 -7.708 5.631 -8.448 1.00 43.11 H new ATOM 0 HG2 GLN A 90 -9.691 6.673 -9.429 1.00 72.22 H new ATOM 0 HG3 GLN A 90 -10.580 6.490 -7.930 1.00 72.22 H new ATOM 0 HE21 GLN A 90 -8.350 7.310 -6.148 1.00 71.22 H new ATOM 0 HE22 GLN A 90 -8.217 9.060 -6.346 1.00 71.22 H new ATOM 1505 N THR A 91 -7.384 2.558 -8.763 1.00 62.43 N ATOM 1506 CA THR A 91 -6.347 1.563 -8.485 1.00 4.24 C ATOM 1507 C THR A 91 -5.020 2.005 -9.111 1.00 73.02 C ATOM 1508 O THR A 91 -4.954 2.304 -10.310 1.00 13.55 O ATOM 1509 CB THR A 91 -6.756 0.152 -9.012 1.00 1.01 C ATOM 1510 OG1 THR A 91 -8.026 -0.224 -8.448 1.00 13.50 O ATOM 1511 CG2 THR A 91 -5.706 -0.920 -8.658 1.00 71.23 C ATOM 0 H THR A 91 -7.428 2.845 -9.741 1.00 62.43 H new ATOM 0 HA THR A 91 -6.226 1.489 -7.404 1.00 4.24 H new ATOM 0 HB THR A 91 -6.825 0.211 -10.098 1.00 1.01 H new ATOM 0 HG1 THR A 91 -7.880 -0.742 -7.629 1.00 13.50 H new ATOM 0 HG21 THR A 91 -6.029 -1.887 -9.043 1.00 71.23 H new ATOM 0 HG22 THR A 91 -4.748 -0.653 -9.105 1.00 71.23 H new ATOM 0 HG23 THR A 91 -5.597 -0.979 -7.575 1.00 71.23 H new ATOM 1519 N TRP A 92 -3.981 2.084 -8.277 1.00 64.35 N ATOM 1520 CA TRP A 92 -2.611 2.336 -8.716 1.00 24.54 C ATOM 1521 C TRP A 92 -1.831 1.017 -8.604 1.00 12.04 C ATOM 1522 O TRP A 92 -1.634 0.504 -7.496 1.00 5.44 O ATOM 1523 CB TRP A 92 -1.980 3.442 -7.828 1.00 44.32 C ATOM 1524 CG TRP A 92 -2.763 4.748 -7.837 1.00 4.03 C ATOM 1525 CD1 TRP A 92 -2.644 5.777 -8.729 1.00 25.43 C ATOM 1526 CD2 TRP A 92 -3.797 5.144 -6.920 1.00 5.21 C ATOM 1527 NE1 TRP A 92 -3.536 6.773 -8.421 1.00 21.15 N ATOM 1528 CE2 TRP A 92 -4.248 6.410 -7.314 1.00 65.32 C ATOM 1529 CE3 TRP A 92 -4.375 4.551 -5.799 1.00 64.42 C ATOM 1530 CZ2 TRP A 92 -5.257 7.085 -6.636 1.00 41.24 C ATOM 1531 CZ3 TRP A 92 -5.375 5.218 -5.125 1.00 64.34 C ATOM 1532 CH2 TRP A 92 -5.805 6.478 -5.542 1.00 75.33 C ATOM 0 H TRP A 92 -4.071 1.973 -7.267 1.00 64.35 H new ATOM 0 HA TRP A 92 -2.585 2.684 -9.749 1.00 24.54 H new ATOM 0 HB2 TRP A 92 -1.909 3.077 -6.803 1.00 44.32 H new ATOM 0 HB3 TRP A 92 -0.963 3.635 -8.169 1.00 44.32 H new ATOM 0 HD1 TRP A 92 -1.949 5.802 -9.556 1.00 25.43 H new ATOM 0 HE1 TRP A 92 -3.649 7.646 -8.937 1.00 21.15 H new ATOM 0 HE3 TRP A 92 -4.043 3.580 -5.462 1.00 64.42 H new ATOM 0 HZ2 TRP A 92 -5.596 8.057 -6.963 1.00 41.24 H new ATOM 0 HZ3 TRP A 92 -5.833 4.759 -4.261 1.00 64.34 H new ATOM 0 HH2 TRP A 92 -6.585 6.982 -4.990 1.00 75.33 H new ATOM 1543 N THR A 93 -1.415 0.463 -9.754 1.00 20.21 N ATOM 1544 CA THR A 93 -0.683 -0.807 -9.817 1.00 31.43 C ATOM 1545 C THR A 93 0.832 -0.537 -9.888 1.00 60.25 C ATOM 1546 O THR A 93 1.357 -0.152 -10.938 1.00 10.03 O ATOM 1547 CB THR A 93 -1.157 -1.654 -11.057 1.00 52.35 C ATOM 1548 OG1 THR A 93 -1.168 -0.830 -12.235 1.00 24.00 O ATOM 1549 CG2 THR A 93 -2.561 -2.251 -10.858 1.00 64.40 C ATOM 0 H THR A 93 -1.579 0.886 -10.667 1.00 20.21 H new ATOM 0 HA THR A 93 -0.893 -1.381 -8.914 1.00 31.43 H new ATOM 0 HB THR A 93 -0.452 -2.478 -11.168 1.00 52.35 H new ATOM 0 HG1 THR A 93 -0.350 -0.291 -12.265 1.00 24.00 H new ATOM 0 HG21 THR A 93 -2.841 -2.825 -11.741 1.00 64.40 H new ATOM 0 HG22 THR A 93 -2.558 -2.905 -9.986 1.00 64.40 H new ATOM 0 HG23 THR A 93 -3.280 -1.446 -10.706 1.00 64.40 H new ATOM 1557 N PHE A 94 1.515 -0.719 -8.748 1.00 74.34 N ATOM 1558 CA PHE A 94 2.978 -0.633 -8.654 1.00 22.02 C ATOM 1559 C PHE A 94 3.540 -2.035 -8.885 1.00 11.02 C ATOM 1560 O PHE A 94 3.448 -2.899 -8.013 1.00 63.55 O ATOM 1561 CB PHE A 94 3.399 -0.108 -7.251 1.00 62.45 C ATOM 1562 CG PHE A 94 2.828 1.262 -6.888 1.00 15.20 C ATOM 1563 CD1 PHE A 94 1.575 1.382 -6.283 1.00 35.35 C ATOM 1564 CD2 PHE A 94 3.550 2.425 -7.140 1.00 0.23 C ATOM 1565 CE1 PHE A 94 1.071 2.623 -5.947 1.00 64.11 C ATOM 1566 CE2 PHE A 94 3.046 3.662 -6.799 1.00 22.00 C ATOM 1567 CZ PHE A 94 1.808 3.762 -6.202 1.00 0.45 C ATOM 0 H PHE A 94 1.063 -0.932 -7.859 1.00 74.34 H new ATOM 0 HA PHE A 94 3.367 0.061 -9.400 1.00 22.02 H new ATOM 0 HB2 PHE A 94 3.084 -0.830 -6.498 1.00 62.45 H new ATOM 0 HB3 PHE A 94 4.487 -0.057 -7.208 1.00 62.45 H new ATOM 0 HD1 PHE A 94 0.994 0.495 -6.076 1.00 35.35 H new ATOM 0 HD2 PHE A 94 4.520 2.357 -7.610 1.00 0.23 H new ATOM 0 HE1 PHE A 94 0.099 2.703 -5.484 1.00 64.11 H new ATOM 0 HE2 PHE A 94 3.622 4.553 -7.000 1.00 22.00 H new ATOM 0 HZ PHE A 94 1.414 4.731 -5.934 1.00 0.45 H new ATOM 1577 N ASN A 95 4.118 -2.259 -10.064 1.00 72.25 N ATOM 1578 CA ASN A 95 4.644 -3.574 -10.446 1.00 3.11 C ATOM 1579 C ASN A 95 6.148 -3.460 -10.701 1.00 34.12 C ATOM 1580 O ASN A 95 6.610 -2.515 -11.360 1.00 1.25 O ATOM 1581 CB ASN A 95 3.866 -4.144 -11.665 1.00 23.12 C ATOM 1582 CG ASN A 95 3.929 -3.293 -12.940 1.00 11.20 C ATOM 1583 OD1 ASN A 95 4.722 -3.552 -13.842 1.00 11.13 O ATOM 1584 ND2 ASN A 95 3.103 -2.260 -13.006 1.00 10.11 N ATOM 0 H ASN A 95 4.236 -1.541 -10.779 1.00 72.25 H new ATOM 0 HA ASN A 95 4.498 -4.285 -9.633 1.00 3.11 H new ATOM 0 HB2 ASN A 95 4.255 -5.137 -11.891 1.00 23.12 H new ATOM 0 HB3 ASN A 95 2.821 -4.268 -11.382 1.00 23.12 H new ATOM 0 HD21 ASN A 95 3.113 -1.651 -13.824 1.00 10.11 H new ATOM 0 HD22 ASN A 95 2.457 -2.074 -12.239 1.00 10.11 H new