USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 447 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 Single : A 22 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -0.0868 (180deg=-0.581) USER MOD Single : A 32 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.43) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0582) USER MOD Single : A 42 ASN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0511 X(o=-0.051,f=-0.39) USER MOD Single : A 51 MET CE :methyl -148:sc= -0.27 (180deg=-2.08!) USER MOD Single : A 52 MET CE :methyl 164:sc= -0.129 (180deg=-0.502) USER MOD Single : A 53 SER OG : rot 73:sc= 1.13 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc=-0.00182 (180deg=-0.0985) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.3!) USER MOD Single : A 61 GLN : amide:sc= -0.0504 X(o=-0.05,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.473 -5.946 13.005 1.00 41.04 N ATOM 330 CA LEU A 21 8.115 -5.094 11.992 1.00 2.41 C ATOM 331 C LEU A 21 8.997 -5.921 11.024 1.00 34.32 C ATOM 332 O LEU A 21 10.175 -6.183 11.300 1.00 2.22 O ATOM 333 CB LEU A 21 8.939 -3.978 12.694 1.00 13.23 C ATOM 334 CG LEU A 21 8.151 -3.094 13.716 1.00 75.44 C ATOM 335 CD1 LEU A 21 9.060 -2.009 14.337 1.00 63.40 C ATOM 336 CD2 LEU A 21 6.886 -2.467 13.071 1.00 74.05 C ATOM 0 HA LEU A 21 7.336 -4.630 11.387 1.00 2.41 H new ATOM 0 HB2 LEU A 21 9.777 -4.443 13.214 1.00 13.23 H new ATOM 0 HB3 LEU A 21 9.361 -3.327 11.928 1.00 13.23 H new ATOM 0 HG LEU A 21 7.817 -3.747 14.522 1.00 75.44 H new ATOM 0 HD11 LEU A 21 8.483 -1.411 15.043 1.00 63.40 H new ATOM 0 HD12 LEU A 21 9.891 -2.485 14.858 1.00 63.40 H new ATOM 0 HD13 LEU A 21 9.448 -1.365 13.548 1.00 63.40 H new ATOM 0 HD21 LEU A 21 6.364 -1.860 13.810 1.00 74.05 H new ATOM 0 HD22 LEU A 21 7.180 -1.841 12.229 1.00 74.05 H new ATOM 0 HD23 LEU A 21 6.225 -3.260 12.721 1.00 74.05 H new ATOM 348 N THR A 22 8.384 -6.367 9.911 1.00 63.44 N ATOM 349 CA THR A 22 9.104 -7.003 8.784 1.00 31.32 C ATOM 350 C THR A 22 9.931 -5.951 8.003 1.00 44.33 C ATOM 351 O THR A 22 9.814 -4.749 8.248 1.00 74.14 O ATOM 352 CB THR A 22 8.122 -7.728 7.785 1.00 32.21 C ATOM 353 OG1 THR A 22 7.362 -6.763 7.036 1.00 4.34 O ATOM 354 CG2 THR A 22 7.146 -8.677 8.513 1.00 44.02 C ATOM 0 H THR A 22 7.377 -6.298 9.765 1.00 63.44 H new ATOM 0 HA THR A 22 9.767 -7.751 9.218 1.00 31.32 H new ATOM 0 HB THR A 22 8.741 -8.322 7.112 1.00 32.21 H new ATOM 0 HG1 THR A 22 6.759 -7.229 6.420 1.00 4.34 H new ATOM 0 HG21 THR A 22 6.490 -9.153 7.784 1.00 44.02 H new ATOM 0 HG22 THR A 22 7.711 -9.441 9.046 1.00 44.02 H new ATOM 0 HG23 THR A 22 6.547 -8.108 9.223 1.00 44.02 H new ATOM 362 N ARG A 23 10.734 -6.420 7.037 1.00 62.20 N ATOM 363 CA ARG A 23 11.562 -5.545 6.153 1.00 10.34 C ATOM 364 C ARG A 23 10.640 -4.574 5.368 1.00 0.34 C ATOM 365 O ARG A 23 10.970 -3.404 5.123 1.00 55.44 O ATOM 366 CB ARG A 23 12.391 -6.374 5.114 1.00 5.33 C ATOM 367 CG ARG A 23 13.276 -7.536 5.650 1.00 65.44 C ATOM 368 CD ARG A 23 12.476 -8.792 6.063 1.00 4.50 C ATOM 369 NE ARG A 23 11.398 -9.113 5.096 1.00 70.44 N ATOM 370 CZ ARG A 23 10.562 -10.129 5.189 1.00 61.51 C ATOM 371 NH1 ARG A 23 10.681 -11.040 6.104 1.00 52.42 N ATOM 372 NH2 ARG A 23 9.593 -10.230 4.341 1.00 35.03 N ATOM 0 H ARG A 23 10.837 -7.415 6.836 1.00 62.20 H new ATOM 0 HA ARG A 23 12.252 -5.000 6.797 1.00 10.34 H new ATOM 0 HB2 ARG A 23 11.694 -6.792 4.387 1.00 5.33 H new ATOM 0 HB3 ARG A 23 13.038 -5.683 4.574 1.00 5.33 H new ATOM 0 HG2 ARG A 23 13.999 -7.813 4.882 1.00 65.44 H new ATOM 0 HG3 ARG A 23 13.845 -7.180 6.509 1.00 65.44 H new ATOM 0 HD2 ARG A 23 13.154 -9.642 6.144 1.00 4.50 H new ATOM 0 HD3 ARG A 23 12.041 -8.635 7.050 1.00 4.50 H new ATOM 0 HE ARG A 23 11.294 -8.496 4.291 1.00 70.44 H new ATOM 0 HH11 ARG A 23 11.440 -10.985 6.783 1.00 52.42 H new ATOM 0 HH12 ARG A 23 10.015 -11.812 6.145 1.00 52.42 H new ATOM 0 HH21 ARG A 23 9.480 -9.528 3.609 1.00 35.03 H new ATOM 0 HH22 ARG A 23 8.940 -11.011 4.403 1.00 35.03 H new ATOM 386 N ASP A 24 9.471 -5.123 5.006 1.00 43.20 N ATOM 387 CA ASP A 24 8.414 -4.431 4.262 1.00 54.02 C ATOM 388 C ASP A 24 7.674 -3.408 5.164 1.00 4.22 C ATOM 389 O ASP A 24 7.354 -2.305 4.720 1.00 61.34 O ATOM 390 CB ASP A 24 7.427 -5.483 3.696 1.00 54.04 C ATOM 391 CG ASP A 24 8.139 -6.626 2.949 1.00 34.42 C ATOM 392 OD1 ASP A 24 8.605 -7.585 3.616 1.00 42.04 O ATOM 393 OD2 ASP A 24 8.271 -6.563 1.710 1.00 73.51 O ATOM 0 H ASP A 24 9.230 -6.088 5.230 1.00 43.20 H new ATOM 0 HA ASP A 24 8.861 -3.872 3.440 1.00 54.02 H new ATOM 0 HB2 ASP A 24 6.839 -5.900 4.514 1.00 54.04 H new ATOM 0 HB3 ASP A 24 6.728 -4.992 3.019 1.00 54.04 H new ATOM 398 N GLU A 25 7.399 -3.800 6.431 1.00 24.51 N ATOM 399 CA GLU A 25 6.753 -2.921 7.445 1.00 64.23 C ATOM 400 C GLU A 25 7.606 -1.663 7.736 1.00 13.41 C ATOM 401 O GLU A 25 7.070 -0.563 7.901 1.00 45.51 O ATOM 402 CB GLU A 25 6.497 -3.718 8.762 1.00 72.34 C ATOM 403 CG GLU A 25 5.328 -4.740 8.711 1.00 44.22 C ATOM 404 CD GLU A 25 3.940 -4.100 8.915 1.00 40.03 C ATOM 405 OE1 GLU A 25 3.377 -3.525 7.957 1.00 51.00 O ATOM 406 OE2 GLU A 25 3.430 -4.114 10.059 1.00 22.21 O ATOM 0 H GLU A 25 7.617 -4.733 6.782 1.00 24.51 H new ATOM 0 HA GLU A 25 5.799 -2.586 7.037 1.00 64.23 H new ATOM 0 HB2 GLU A 25 7.410 -4.251 9.027 1.00 72.34 H new ATOM 0 HB3 GLU A 25 6.299 -3.006 9.564 1.00 72.34 H new ATOM 0 HG2 GLU A 25 5.345 -5.251 7.749 1.00 44.22 H new ATOM 0 HG3 GLU A 25 5.486 -5.498 9.478 1.00 44.22 H new ATOM 413 N LEU A 26 8.937 -1.850 7.782 1.00 11.25 N ATOM 414 CA LEU A 26 9.907 -0.758 8.018 1.00 11.34 C ATOM 415 C LEU A 26 9.903 0.278 6.865 1.00 74.42 C ATOM 416 O LEU A 26 9.787 1.483 7.108 1.00 62.22 O ATOM 417 CB LEU A 26 11.330 -1.349 8.202 1.00 63.35 C ATOM 418 CG LEU A 26 11.525 -2.293 9.432 1.00 74.52 C ATOM 419 CD1 LEU A 26 12.905 -2.988 9.405 1.00 45.34 C ATOM 420 CD2 LEU A 26 11.309 -1.538 10.765 1.00 44.42 C ATOM 0 H LEU A 26 9.374 -2.763 7.657 1.00 11.25 H new ATOM 0 HA LEU A 26 9.607 -0.236 8.927 1.00 11.34 H new ATOM 0 HB2 LEU A 26 11.592 -1.902 7.300 1.00 63.35 H new ATOM 0 HB3 LEU A 26 12.037 -0.524 8.287 1.00 63.35 H new ATOM 0 HG LEU A 26 10.764 -3.070 9.363 1.00 74.52 H new ATOM 0 HD11 LEU A 26 13.003 -3.636 10.276 1.00 45.34 H new ATOM 0 HD12 LEU A 26 12.994 -3.585 8.497 1.00 45.34 H new ATOM 0 HD13 LEU A 26 13.692 -2.234 9.423 1.00 45.34 H new ATOM 0 HD21 LEU A 26 11.452 -2.225 11.599 1.00 44.42 H new ATOM 0 HD22 LEU A 26 12.026 -0.720 10.840 1.00 44.42 H new ATOM 0 HD23 LEU A 26 10.296 -1.136 10.796 1.00 44.42 H new ATOM 432 N ARG A 27 10.011 -0.216 5.608 1.00 53.23 N ATOM 433 CA ARG A 27 10.054 0.651 4.401 1.00 75.01 C ATOM 434 C ARG A 27 8.681 1.331 4.132 1.00 23.14 C ATOM 435 O ARG A 27 8.629 2.443 3.595 1.00 53.54 O ATOM 436 CB ARG A 27 10.530 -0.157 3.151 1.00 43.21 C ATOM 437 CG ARG A 27 9.511 -1.178 2.603 1.00 60.51 C ATOM 438 CD ARG A 27 10.063 -2.052 1.462 1.00 3.43 C ATOM 439 NE ARG A 27 11.130 -2.961 1.926 1.00 34.33 N ATOM 440 CZ ARG A 27 11.260 -4.228 1.587 1.00 31.42 C ATOM 441 NH1 ARG A 27 10.417 -4.808 0.792 1.00 61.04 N ATOM 442 NH2 ARG A 27 12.245 -4.910 2.052 1.00 62.42 N ATOM 0 H ARG A 27 10.070 -1.213 5.401 1.00 53.23 H new ATOM 0 HA ARG A 27 10.778 1.442 4.593 1.00 75.01 H new ATOM 0 HB2 ARG A 27 10.779 0.546 2.356 1.00 43.21 H new ATOM 0 HB3 ARG A 27 11.448 -0.686 3.408 1.00 43.21 H new ATOM 0 HG2 ARG A 27 9.183 -1.824 3.418 1.00 60.51 H new ATOM 0 HG3 ARG A 27 8.631 -0.644 2.246 1.00 60.51 H new ATOM 0 HD2 ARG A 27 9.252 -2.637 1.029 1.00 3.43 H new ATOM 0 HD3 ARG A 27 10.452 -1.411 0.671 1.00 3.43 H new ATOM 0 HE ARG A 27 11.826 -2.575 2.564 1.00 34.33 H new ATOM 0 HH11 ARG A 27 9.629 -4.283 0.412 1.00 61.04 H new ATOM 0 HH12 ARG A 27 10.541 -5.790 0.546 1.00 61.04 H new ATOM 0 HH21 ARG A 27 12.919 -4.470 2.679 1.00 62.42 H new ATOM 0 HH22 ARG A 27 12.353 -5.891 1.794 1.00 62.42 H new ATOM 456 N ALA A 28 7.578 0.644 4.512 1.00 73.44 N ATOM 457 CA ALA A 28 6.203 1.169 4.361 1.00 20.20 C ATOM 458 C ALA A 28 5.976 2.390 5.266 1.00 44.35 C ATOM 459 O ALA A 28 5.608 3.469 4.797 1.00 25.22 O ATOM 460 CB ALA A 28 5.171 0.067 4.664 1.00 10.24 C ATOM 0 H ALA A 28 7.617 -0.286 4.930 1.00 73.44 H new ATOM 0 HA ALA A 28 6.073 1.490 3.328 1.00 20.20 H new ATOM 0 HB1 ALA A 28 4.165 0.469 4.548 1.00 10.24 H new ATOM 0 HB2 ALA A 28 5.312 -0.763 3.972 1.00 10.24 H new ATOM 0 HB3 ALA A 28 5.305 -0.286 5.686 1.00 10.24 H new ATOM 466 N LYS A 29 6.251 2.212 6.564 1.00 23.24 N ATOM 467 CA LYS A 29 6.100 3.272 7.580 1.00 52.22 C ATOM 468 C LYS A 29 7.137 4.413 7.381 1.00 24.32 C ATOM 469 O LYS A 29 6.905 5.544 7.811 1.00 32.43 O ATOM 470 CB LYS A 29 6.167 2.644 8.998 1.00 52.21 C ATOM 471 CG LYS A 29 5.024 1.630 9.272 1.00 12.12 C ATOM 472 CD LYS A 29 5.118 0.948 10.657 1.00 54.12 C ATOM 473 CE LYS A 29 3.989 -0.071 10.904 1.00 51.13 C ATOM 474 NZ LYS A 29 3.971 -1.154 9.886 1.00 31.34 N ATOM 0 H LYS A 29 6.586 1.327 6.945 1.00 23.24 H new ATOM 0 HA LYS A 29 5.122 3.740 7.463 1.00 52.22 H new ATOM 0 HB2 LYS A 29 7.127 2.142 9.121 1.00 52.21 H new ATOM 0 HB3 LYS A 29 6.125 3.439 9.743 1.00 52.21 H new ATOM 0 HG2 LYS A 29 4.067 2.145 9.195 1.00 12.12 H new ATOM 0 HG3 LYS A 29 5.037 0.863 8.497 1.00 12.12 H new ATOM 0 HD2 LYS A 29 6.080 0.444 10.743 1.00 54.12 H new ATOM 0 HD3 LYS A 29 5.088 1.711 11.435 1.00 54.12 H new ATOM 0 HE2 LYS A 29 4.109 -0.509 11.895 1.00 51.13 H new ATOM 0 HE3 LYS A 29 3.029 0.446 10.898 1.00 51.13 H new ATOM 0 HZ1 LYS A 29 3.632 -2.035 10.322 1.00 31.34 H new ATOM 0 HZ2 LYS A 29 3.336 -0.887 9.107 1.00 31.34 H new ATOM 0 HZ3 LYS A 29 4.932 -1.298 9.516 1.00 31.34 H new ATOM 488 N ALA A 30 8.271 4.100 6.706 1.00 32.23 N ATOM 489 CA ALA A 30 9.271 5.114 6.274 1.00 40.32 C ATOM 490 C ALA A 30 8.688 6.067 5.192 1.00 31.01 C ATOM 491 O ALA A 30 8.884 7.288 5.251 1.00 24.14 O ATOM 492 CB ALA A 30 10.537 4.420 5.749 1.00 10.54 C ATOM 0 H ALA A 30 8.519 3.145 6.446 1.00 32.23 H new ATOM 0 HA ALA A 30 9.530 5.719 7.143 1.00 40.32 H new ATOM 0 HB1 ALA A 30 11.261 5.172 5.436 1.00 10.54 H new ATOM 0 HB2 ALA A 30 10.970 3.806 6.539 1.00 10.54 H new ATOM 0 HB3 ALA A 30 10.280 3.788 4.899 1.00 10.54 H new ATOM 498 N LEU A 31 7.965 5.486 4.208 1.00 24.33 N ATOM 499 CA LEU A 31 7.204 6.256 3.179 1.00 34.02 C ATOM 500 C LEU A 31 5.802 6.688 3.690 1.00 24.24 C ATOM 501 O LEU A 31 5.016 7.271 2.934 1.00 72.53 O ATOM 502 CB LEU A 31 7.092 5.427 1.861 1.00 75.34 C ATOM 503 CG LEU A 31 8.363 5.444 0.950 1.00 74.02 C ATOM 504 CD1 LEU A 31 8.223 4.477 -0.243 1.00 62.42 C ATOM 505 CD2 LEU A 31 8.666 6.881 0.456 1.00 34.34 C ATOM 0 H LEU A 31 7.888 4.475 4.099 1.00 24.33 H new ATOM 0 HA LEU A 31 7.758 7.172 2.972 1.00 34.02 H new ATOM 0 HB2 LEU A 31 6.865 4.393 2.120 1.00 75.34 H new ATOM 0 HB3 LEU A 31 6.247 5.804 1.285 1.00 75.34 H new ATOM 0 HG LEU A 31 9.202 5.101 1.555 1.00 74.02 H new ATOM 0 HD11 LEU A 31 9.126 4.518 -0.852 1.00 62.42 H new ATOM 0 HD12 LEU A 31 8.080 3.462 0.127 1.00 62.42 H new ATOM 0 HD13 LEU A 31 7.364 4.767 -0.848 1.00 62.42 H new ATOM 0 HD21 LEU A 31 9.554 6.869 -0.176 1.00 34.34 H new ATOM 0 HD22 LEU A 31 7.818 7.255 -0.117 1.00 34.34 H new ATOM 0 HD23 LEU A 31 8.840 7.531 1.313 1.00 34.34 H new ATOM 517 N HIS A 32 5.524 6.393 4.974 1.00 62.14 N ATOM 518 CA HIS A 32 4.302 6.812 5.693 1.00 13.43 C ATOM 519 C HIS A 32 3.010 6.277 5.014 1.00 4.41 C ATOM 520 O HIS A 32 2.056 7.025 4.758 1.00 0.04 O ATOM 521 CB HIS A 32 4.284 8.361 5.882 1.00 31.00 C ATOM 522 CG HIS A 32 3.292 8.864 6.907 1.00 73.11 C ATOM 523 ND1 HIS A 32 2.016 9.275 6.590 1.00 64.32 N ATOM 524 CD2 HIS A 32 3.402 9.024 8.254 1.00 31.13 C ATOM 525 CE1 HIS A 32 1.391 9.669 7.680 1.00 33.34 C ATOM 526 NE2 HIS A 32 2.206 9.522 8.701 1.00 54.45 N ATOM 0 H HIS A 32 6.157 5.844 5.556 1.00 62.14 H new ATOM 0 HA HIS A 32 4.322 6.361 6.685 1.00 13.43 H new ATOM 0 HB2 HIS A 32 5.282 8.689 6.172 1.00 31.00 H new ATOM 0 HB3 HIS A 32 4.061 8.827 4.922 1.00 31.00 H new ATOM 0 HD2 HIS A 32 4.269 8.800 8.858 1.00 31.13 H new ATOM 0 HE1 HIS A 32 0.381 10.048 7.727 1.00 33.34 H new ATOM 0 HE2 HIS A 32 1.984 9.743 9.672 1.00 54.45 H new ATOM 535 N ILE A 33 3.010 4.963 4.714 1.00 52.12 N ATOM 536 CA ILE A 33 1.798 4.235 4.289 1.00 11.21 C ATOM 537 C ILE A 33 0.820 4.154 5.498 1.00 11.51 C ATOM 538 O ILE A 33 1.196 3.605 6.542 1.00 24.24 O ATOM 539 CB ILE A 33 2.140 2.775 3.776 1.00 15.24 C ATOM 540 CG1 ILE A 33 3.223 2.799 2.645 1.00 75.52 C ATOM 541 CG2 ILE A 33 0.867 2.026 3.296 1.00 44.14 C ATOM 542 CD1 ILE A 33 2.834 3.547 1.387 1.00 12.13 C ATOM 0 H ILE A 33 3.845 4.379 4.759 1.00 52.12 H new ATOM 0 HA ILE A 33 1.340 4.773 3.459 1.00 11.21 H new ATOM 0 HB ILE A 33 2.553 2.230 4.625 1.00 15.24 H new ATOM 0 HG12 ILE A 33 4.133 3.246 3.046 1.00 75.52 H new ATOM 0 HG13 ILE A 33 3.465 1.771 2.376 1.00 75.52 H new ATOM 0 HG21 ILE A 33 1.140 1.029 2.951 1.00 44.14 H new ATOM 0 HG22 ILE A 33 0.160 1.944 4.122 1.00 44.14 H new ATOM 0 HG23 ILE A 33 0.406 2.579 2.478 1.00 44.14 H new ATOM 0 HD11 ILE A 33 3.653 3.503 0.669 1.00 12.13 H new ATOM 0 HD12 ILE A 33 1.945 3.090 0.952 1.00 12.13 H new ATOM 0 HD13 ILE A 33 2.623 4.588 1.633 1.00 12.13 H new ATOM 554 N PRO A 34 -0.433 4.713 5.396 1.00 11.54 N ATOM 555 CA PRO A 34 -1.389 4.761 6.548 1.00 63.31 C ATOM 556 C PRO A 34 -1.986 3.374 6.932 1.00 72.53 C ATOM 557 O PRO A 34 -2.741 3.264 7.905 1.00 14.34 O ATOM 558 CB PRO A 34 -2.483 5.741 6.042 1.00 43.44 C ATOM 559 CG PRO A 34 -2.471 5.573 4.552 1.00 63.53 C ATOM 560 CD PRO A 34 -1.019 5.342 4.175 1.00 13.02 C ATOM 0 HA PRO A 34 -0.901 5.078 7.470 1.00 63.31 H new ATOM 0 HB2 PRO A 34 -3.459 5.498 6.462 1.00 43.44 H new ATOM 0 HB3 PRO A 34 -2.260 6.769 6.328 1.00 43.44 H new ATOM 0 HG2 PRO A 34 -3.093 4.731 4.248 1.00 63.53 H new ATOM 0 HG3 PRO A 34 -2.868 6.458 4.055 1.00 63.53 H new ATOM 0 HD2 PRO A 34 -0.930 4.690 3.306 1.00 13.02 H new ATOM 0 HD3 PRO A 34 -0.516 6.276 3.925 1.00 13.02 H new ATOM 568 N PHE A 35 -1.644 2.330 6.151 1.00 42.53 N ATOM 569 CA PHE A 35 -2.111 0.941 6.369 1.00 23.44 C ATOM 570 C PHE A 35 -0.895 -0.024 6.519 1.00 44.22 C ATOM 571 O PHE A 35 0.203 0.294 6.043 1.00 44.51 O ATOM 572 CB PHE A 35 -2.980 0.488 5.163 1.00 20.34 C ATOM 573 CG PHE A 35 -4.115 1.444 4.770 1.00 53.30 C ATOM 574 CD1 PHE A 35 -5.067 1.861 5.703 1.00 43.32 C ATOM 575 CD2 PHE A 35 -4.221 1.930 3.463 1.00 10.13 C ATOM 576 CE1 PHE A 35 -6.089 2.724 5.340 1.00 72.10 C ATOM 577 CE2 PHE A 35 -5.242 2.786 3.104 1.00 42.43 C ATOM 578 CZ PHE A 35 -6.174 3.189 4.042 1.00 11.35 C ATOM 0 H PHE A 35 -1.030 2.426 5.342 1.00 42.53 H new ATOM 0 HA PHE A 35 -2.703 0.911 7.284 1.00 23.44 H new ATOM 0 HB2 PHE A 35 -2.329 0.351 4.300 1.00 20.34 H new ATOM 0 HB3 PHE A 35 -3.412 -0.486 5.394 1.00 20.34 H new ATOM 0 HD1 PHE A 35 -5.006 1.506 6.721 1.00 43.32 H new ATOM 0 HD2 PHE A 35 -3.493 1.631 2.724 1.00 10.13 H new ATOM 0 HE1 PHE A 35 -6.820 3.033 6.073 1.00 72.10 H new ATOM 0 HE2 PHE A 35 -5.313 3.142 2.087 1.00 42.43 H new ATOM 0 HZ PHE A 35 -6.967 3.866 3.761 1.00 11.35 H new ATOM 588 N PRO A 36 -1.053 -1.224 7.185 1.00 10.02 N ATOM 589 CA PRO A 36 0.014 -2.264 7.195 1.00 65.45 C ATOM 590 C PRO A 36 0.182 -2.964 5.816 1.00 71.32 C ATOM 591 O PRO A 36 -0.744 -2.978 4.994 1.00 62.23 O ATOM 592 CB PRO A 36 -0.469 -3.260 8.284 1.00 1.32 C ATOM 593 CG PRO A 36 -1.960 -3.114 8.285 1.00 41.44 C ATOM 594 CD PRO A 36 -2.226 -1.643 8.004 1.00 32.34 C ATOM 0 HA PRO A 36 0.998 -1.843 7.400 1.00 65.45 H new ATOM 0 HB2 PRO A 36 -0.170 -4.282 8.050 1.00 1.32 H new ATOM 0 HB3 PRO A 36 -0.045 -3.019 9.259 1.00 1.32 H new ATOM 0 HG2 PRO A 36 -2.417 -3.747 7.524 1.00 41.44 H new ATOM 0 HG3 PRO A 36 -2.383 -3.413 9.244 1.00 41.44 H new ATOM 0 HD2 PRO A 36 -3.163 -1.501 7.465 1.00 32.34 H new ATOM 0 HD3 PRO A 36 -2.298 -1.066 8.926 1.00 32.34 H new ATOM 602 N VAL A 37 1.371 -3.557 5.601 1.00 25.22 N ATOM 603 CA VAL A 37 1.750 -4.257 4.344 1.00 24.55 C ATOM 604 C VAL A 37 0.741 -5.364 3.948 1.00 20.53 C ATOM 605 O VAL A 37 0.337 -5.455 2.780 1.00 32.23 O ATOM 606 CB VAL A 37 3.204 -4.856 4.497 1.00 23.21 C ATOM 607 CG1 VAL A 37 3.617 -5.796 3.335 1.00 4.32 C ATOM 608 CG2 VAL A 37 4.221 -3.711 4.662 1.00 45.23 C ATOM 0 H VAL A 37 2.112 -3.567 6.302 1.00 25.22 H new ATOM 0 HA VAL A 37 1.733 -3.524 3.537 1.00 24.55 H new ATOM 0 HB VAL A 37 3.196 -5.480 5.391 1.00 23.21 H new ATOM 0 HG11 VAL A 37 4.626 -6.168 3.509 1.00 4.32 H new ATOM 0 HG12 VAL A 37 2.924 -6.636 3.283 1.00 4.32 H new ATOM 0 HG13 VAL A 37 3.591 -5.245 2.395 1.00 4.32 H new ATOM 0 HG21 VAL A 37 5.223 -4.127 4.767 1.00 45.23 H new ATOM 0 HG22 VAL A 37 4.187 -3.065 3.785 1.00 45.23 H new ATOM 0 HG23 VAL A 37 3.974 -3.130 5.551 1.00 45.23 H new ATOM 618 N GLU A 38 0.320 -6.173 4.941 1.00 64.51 N ATOM 619 CA GLU A 38 -0.659 -7.271 4.740 1.00 73.01 C ATOM 620 C GLU A 38 -2.007 -6.758 4.161 1.00 23.14 C ATOM 621 O GLU A 38 -2.647 -7.443 3.358 1.00 52.02 O ATOM 622 CB GLU A 38 -0.900 -8.004 6.091 1.00 73.22 C ATOM 623 CG GLU A 38 -1.836 -9.238 6.003 1.00 14.10 C ATOM 624 CD GLU A 38 -2.105 -9.906 7.371 1.00 44.23 C ATOM 625 OE1 GLU A 38 -3.023 -9.452 8.095 1.00 45.44 O ATOM 626 OE2 GLU A 38 -1.409 -10.890 7.723 1.00 41.25 O ATOM 0 H GLU A 38 0.645 -6.088 5.904 1.00 64.51 H new ATOM 0 HA GLU A 38 -0.239 -7.963 4.010 1.00 73.01 H new ATOM 0 HB2 GLU A 38 0.062 -8.323 6.492 1.00 73.22 H new ATOM 0 HB3 GLU A 38 -1.323 -7.295 6.803 1.00 73.22 H new ATOM 0 HG2 GLU A 38 -2.786 -8.933 5.563 1.00 14.10 H new ATOM 0 HG3 GLU A 38 -1.394 -9.972 5.330 1.00 14.10 H new ATOM 633 N LYS A 39 -2.404 -5.529 4.559 1.00 63.23 N ATOM 634 CA LYS A 39 -3.686 -4.923 4.139 1.00 22.35 C ATOM 635 C LYS A 39 -3.670 -4.503 2.649 1.00 65.15 C ATOM 636 O LYS A 39 -4.660 -4.698 1.952 1.00 13.31 O ATOM 637 CB LYS A 39 -4.043 -3.720 5.048 1.00 44.43 C ATOM 638 CG LYS A 39 -5.452 -3.129 4.796 1.00 52.43 C ATOM 639 CD LYS A 39 -5.809 -1.971 5.759 1.00 71.42 C ATOM 640 CE LYS A 39 -7.211 -1.394 5.497 1.00 34.13 C ATOM 641 NZ LYS A 39 -8.285 -2.394 5.733 1.00 44.01 N ATOM 0 H LYS A 39 -1.850 -4.934 5.175 1.00 63.23 H new ATOM 0 HA LYS A 39 -4.458 -5.685 4.249 1.00 22.35 H new ATOM 0 HB2 LYS A 39 -3.974 -4.033 6.090 1.00 44.43 H new ATOM 0 HB3 LYS A 39 -3.301 -2.935 4.901 1.00 44.43 H new ATOM 0 HG2 LYS A 39 -5.510 -2.769 3.769 1.00 52.43 H new ATOM 0 HG3 LYS A 39 -6.195 -3.920 4.899 1.00 52.43 H new ATOM 0 HD2 LYS A 39 -5.754 -2.328 6.787 1.00 71.42 H new ATOM 0 HD3 LYS A 39 -5.069 -1.177 5.657 1.00 71.42 H new ATOM 0 HE2 LYS A 39 -7.373 -0.531 6.143 1.00 34.13 H new ATOM 0 HE3 LYS A 39 -7.269 -1.038 4.468 1.00 34.13 H new ATOM 0 HZ1 LYS A 39 -9.213 -1.934 5.643 1.00 44.01 H new ATOM 0 HZ2 LYS A 39 -8.208 -3.158 5.032 1.00 44.01 H new ATOM 0 HZ3 LYS A 39 -8.186 -2.790 6.689 1.00 44.01 H new ATOM 655 N ILE A 40 -2.540 -3.943 2.166 1.00 42.41 N ATOM 656 CA ILE A 40 -2.367 -3.587 0.723 1.00 12.05 C ATOM 657 C ILE A 40 -2.452 -4.866 -0.158 1.00 61.54 C ATOM 658 O ILE A 40 -3.094 -4.872 -1.220 1.00 64.53 O ATOM 659 CB ILE A 40 -1.000 -2.815 0.451 1.00 25.33 C ATOM 660 CG1 ILE A 40 -1.063 -1.313 0.905 1.00 22.32 C ATOM 661 CG2 ILE A 40 -0.580 -2.887 -1.039 1.00 34.13 C ATOM 662 CD1 ILE A 40 -1.258 -1.074 2.390 1.00 30.51 C ATOM 0 H ILE A 40 -1.730 -3.724 2.746 1.00 42.41 H new ATOM 0 HA ILE A 40 -3.177 -2.909 0.455 1.00 12.05 H new ATOM 0 HB ILE A 40 -0.248 -3.325 1.053 1.00 25.33 H new ATOM 0 HG12 ILE A 40 -0.140 -0.822 0.596 1.00 22.32 H new ATOM 0 HG13 ILE A 40 -1.878 -0.826 0.369 1.00 22.32 H new ATOM 0 HG21 ILE A 40 0.357 -2.348 -1.179 1.00 34.13 H new ATOM 0 HG22 ILE A 40 -0.446 -3.929 -1.329 1.00 34.13 H new ATOM 0 HG23 ILE A 40 -1.355 -2.435 -1.658 1.00 34.13 H new ATOM 0 HD11 ILE A 40 -1.286 -0.002 2.585 1.00 30.51 H new ATOM 0 HD12 ILE A 40 -2.196 -1.526 2.711 1.00 30.51 H new ATOM 0 HD13 ILE A 40 -0.432 -1.522 2.942 1.00 30.51 H new ATOM 674 N ILE A 41 -1.791 -5.937 0.320 1.00 30.14 N ATOM 675 CA ILE A 41 -1.853 -7.288 -0.287 1.00 0.42 C ATOM 676 C ILE A 41 -3.310 -7.832 -0.294 1.00 41.54 C ATOM 677 O ILE A 41 -3.741 -8.489 -1.252 1.00 31.01 O ATOM 678 CB ILE A 41 -0.915 -8.277 0.514 1.00 5.52 C ATOM 679 CG1 ILE A 41 0.573 -7.796 0.440 1.00 52.45 C ATOM 680 CG2 ILE A 41 -1.057 -9.749 0.032 1.00 4.33 C ATOM 681 CD1 ILE A 41 1.560 -8.596 1.279 1.00 75.13 C ATOM 0 H ILE A 41 -1.193 -5.893 1.145 1.00 30.14 H new ATOM 0 HA ILE A 41 -1.511 -7.216 -1.320 1.00 0.42 H new ATOM 0 HB ILE A 41 -1.236 -8.261 1.556 1.00 5.52 H new ATOM 0 HG12 ILE A 41 0.896 -7.829 -0.600 1.00 52.45 H new ATOM 0 HG13 ILE A 41 0.616 -6.753 0.755 1.00 52.45 H new ATOM 0 HG21 ILE A 41 -0.392 -10.388 0.613 1.00 4.33 H new ATOM 0 HG22 ILE A 41 -2.087 -10.078 0.167 1.00 4.33 H new ATOM 0 HG23 ILE A 41 -0.791 -9.814 -1.023 1.00 4.33 H new ATOM 0 HD11 ILE A 41 2.561 -8.182 1.157 1.00 75.13 H new ATOM 0 HD12 ILE A 41 1.271 -8.544 2.329 1.00 75.13 H new ATOM 0 HD13 ILE A 41 1.556 -9.636 0.953 1.00 75.13 H new ATOM 693 N ASN A 42 -4.054 -7.533 0.788 1.00 44.21 N ATOM 694 CA ASN A 42 -5.433 -8.028 0.998 1.00 71.12 C ATOM 695 C ASN A 42 -6.468 -7.257 0.138 1.00 10.33 C ATOM 696 O ASN A 42 -7.477 -7.832 -0.278 1.00 4.44 O ATOM 697 CB ASN A 42 -5.798 -7.928 2.504 1.00 41.34 C ATOM 698 CG ASN A 42 -7.073 -8.682 2.893 1.00 1.15 C ATOM 699 OD1 ASN A 42 -7.859 -8.216 3.711 1.00 3.15 O ATOM 700 ND2 ASN A 42 -7.256 -9.883 2.363 1.00 11.03 N ATOM 0 H ASN A 42 -3.716 -6.939 1.545 1.00 44.21 H new ATOM 0 HA ASN A 42 -5.467 -9.070 0.680 1.00 71.12 H new ATOM 0 HB2 ASN A 42 -4.967 -8.314 3.094 1.00 41.34 H new ATOM 0 HB3 ASN A 42 -5.916 -6.877 2.769 1.00 41.34 H new ATOM 0 HD21 ASN A 42 -8.065 -10.442 2.634 1.00 11.03 H new ATOM 0 HD22 ASN A 42 -6.588 -10.248 1.684 1.00 11.03 H new ATOM 707 N LEU A 43 -6.196 -5.966 -0.117 1.00 61.10 N ATOM 708 CA LEU A 43 -7.088 -5.076 -0.899 1.00 4.01 C ATOM 709 C LEU A 43 -6.965 -5.336 -2.427 1.00 24.13 C ATOM 710 O LEU A 43 -5.906 -5.074 -3.012 1.00 72.35 O ATOM 711 CB LEU A 43 -6.760 -3.582 -0.584 1.00 43.14 C ATOM 712 CG LEU A 43 -7.152 -3.079 0.848 1.00 14.12 C ATOM 713 CD1 LEU A 43 -6.552 -1.684 1.147 1.00 43.01 C ATOM 714 CD2 LEU A 43 -8.690 -3.080 1.038 1.00 25.12 C ATOM 0 H LEU A 43 -5.349 -5.503 0.212 1.00 61.10 H new ATOM 0 HA LEU A 43 -8.115 -5.294 -0.606 1.00 4.01 H new ATOM 0 HB2 LEU A 43 -5.689 -3.429 -0.721 1.00 43.14 H new ATOM 0 HB3 LEU A 43 -7.267 -2.957 -1.319 1.00 43.14 H new ATOM 0 HG LEU A 43 -6.725 -3.777 1.568 1.00 14.12 H new ATOM 0 HD11 LEU A 43 -6.845 -1.369 2.148 1.00 43.01 H new ATOM 0 HD12 LEU A 43 -5.465 -1.735 1.087 1.00 43.01 H new ATOM 0 HD13 LEU A 43 -6.923 -0.964 0.417 1.00 43.01 H new ATOM 0 HD21 LEU A 43 -8.933 -2.727 2.040 1.00 25.12 H new ATOM 0 HD22 LEU A 43 -9.148 -2.422 0.300 1.00 25.12 H new ATOM 0 HD23 LEU A 43 -9.072 -4.093 0.908 1.00 25.12 H new ATOM 726 N PRO A 44 -8.046 -5.865 -3.106 1.00 32.35 N ATOM 727 CA PRO A 44 -8.083 -5.982 -4.590 1.00 15.42 C ATOM 728 C PRO A 44 -8.123 -4.591 -5.278 1.00 21.33 C ATOM 729 O PRO A 44 -8.447 -3.584 -4.638 1.00 63.42 O ATOM 730 CB PRO A 44 -9.383 -6.803 -4.869 1.00 4.14 C ATOM 731 CG PRO A 44 -9.755 -7.402 -3.540 1.00 42.03 C ATOM 732 CD PRO A 44 -9.294 -6.401 -2.506 1.00 13.10 C ATOM 0 HA PRO A 44 -7.191 -6.463 -4.991 1.00 15.42 H new ATOM 0 HB2 PRO A 44 -10.179 -6.164 -5.251 1.00 4.14 H new ATOM 0 HB3 PRO A 44 -9.209 -7.577 -5.616 1.00 4.14 H new ATOM 0 HG2 PRO A 44 -10.830 -7.571 -3.472 1.00 42.03 H new ATOM 0 HG3 PRO A 44 -9.271 -8.368 -3.395 1.00 42.03 H new ATOM 0 HD2 PRO A 44 -10.034 -5.617 -2.343 1.00 13.10 H new ATOM 0 HD3 PRO A 44 -9.110 -6.872 -1.540 1.00 13.10 H new ATOM 740 N VAL A 45 -7.810 -4.550 -6.591 1.00 41.13 N ATOM 741 CA VAL A 45 -7.651 -3.280 -7.344 1.00 21.51 C ATOM 742 C VAL A 45 -8.975 -2.471 -7.420 1.00 0.42 C ATOM 743 O VAL A 45 -8.953 -1.255 -7.260 1.00 50.03 O ATOM 744 CB VAL A 45 -7.073 -3.533 -8.790 1.00 41.05 C ATOM 745 CG1 VAL A 45 -6.903 -2.211 -9.577 1.00 12.24 C ATOM 746 CG2 VAL A 45 -5.728 -4.297 -8.719 1.00 71.42 C ATOM 0 H VAL A 45 -7.661 -5.385 -7.157 1.00 41.13 H new ATOM 0 HA VAL A 45 -6.931 -2.679 -6.788 1.00 21.51 H new ATOM 0 HB VAL A 45 -7.796 -4.148 -9.326 1.00 41.05 H new ATOM 0 HG11 VAL A 45 -6.503 -2.426 -10.568 1.00 12.24 H new ATOM 0 HG12 VAL A 45 -7.871 -1.719 -9.676 1.00 12.24 H new ATOM 0 HG13 VAL A 45 -6.216 -1.555 -9.043 1.00 12.24 H new ATOM 0 HG21 VAL A 45 -5.349 -4.460 -9.728 1.00 71.42 H new ATOM 0 HG22 VAL A 45 -5.006 -3.711 -8.150 1.00 71.42 H new ATOM 0 HG23 VAL A 45 -5.881 -5.259 -8.229 1.00 71.42 H new ATOM 756 N VAL A 46 -10.117 -3.164 -7.622 1.00 21.00 N ATOM 757 CA VAL A 46 -11.464 -2.521 -7.655 1.00 21.13 C ATOM 758 C VAL A 46 -11.783 -1.798 -6.318 1.00 33.23 C ATOM 759 O VAL A 46 -12.158 -0.616 -6.304 1.00 23.32 O ATOM 760 CB VAL A 46 -12.595 -3.578 -7.958 1.00 63.14 C ATOM 761 CG1 VAL A 46 -14.006 -2.937 -7.953 1.00 35.15 C ATOM 762 CG2 VAL A 46 -12.326 -4.303 -9.295 1.00 12.25 C ATOM 0 H VAL A 46 -10.140 -4.174 -7.766 1.00 21.00 H new ATOM 0 HA VAL A 46 -11.441 -1.783 -8.457 1.00 21.13 H new ATOM 0 HB VAL A 46 -12.572 -4.314 -7.155 1.00 63.14 H new ATOM 0 HG11 VAL A 46 -14.754 -3.701 -8.166 1.00 35.15 H new ATOM 0 HG12 VAL A 46 -14.203 -2.499 -6.974 1.00 35.15 H new ATOM 0 HG13 VAL A 46 -14.055 -2.159 -8.715 1.00 35.15 H new ATOM 0 HG21 VAL A 46 -13.119 -5.027 -9.482 1.00 12.25 H new ATOM 0 HG22 VAL A 46 -12.301 -3.574 -10.105 1.00 12.25 H new ATOM 0 HG23 VAL A 46 -11.368 -4.820 -9.242 1.00 12.25 H new ATOM 772 N ASP A 47 -11.611 -2.536 -5.207 1.00 50.43 N ATOM 773 CA ASP A 47 -11.804 -2.018 -3.834 1.00 60.05 C ATOM 774 C ASP A 47 -10.835 -0.852 -3.523 1.00 63.13 C ATOM 775 O ASP A 47 -11.185 0.087 -2.801 1.00 34.13 O ATOM 776 CB ASP A 47 -11.587 -3.163 -2.812 1.00 71.05 C ATOM 777 CG ASP A 47 -12.568 -4.329 -3.013 1.00 44.52 C ATOM 778 OD1 ASP A 47 -12.391 -5.107 -3.974 1.00 12.14 O ATOM 779 OD2 ASP A 47 -13.514 -4.480 -2.207 1.00 2.13 O ATOM 0 H ASP A 47 -11.332 -3.517 -5.233 1.00 50.43 H new ATOM 0 HA ASP A 47 -12.822 -1.637 -3.757 1.00 60.05 H new ATOM 0 HB2 ASP A 47 -10.566 -3.533 -2.899 1.00 71.05 H new ATOM 0 HB3 ASP A 47 -11.699 -2.769 -1.802 1.00 71.05 H new ATOM 784 N PHE A 48 -9.613 -0.946 -4.078 1.00 5.12 N ATOM 785 CA PHE A 48 -8.558 0.059 -3.882 1.00 55.20 C ATOM 786 C PHE A 48 -8.831 1.346 -4.699 1.00 51.43 C ATOM 787 O PHE A 48 -8.442 2.426 -4.274 1.00 41.10 O ATOM 788 CB PHE A 48 -7.158 -0.519 -4.202 1.00 10.30 C ATOM 789 CG PHE A 48 -6.027 0.333 -3.619 1.00 1.01 C ATOM 790 CD1 PHE A 48 -5.745 0.276 -2.251 1.00 61.40 C ATOM 791 CD2 PHE A 48 -5.280 1.208 -4.411 1.00 13.32 C ATOM 792 CE1 PHE A 48 -4.762 1.068 -1.694 1.00 4.42 C ATOM 793 CE2 PHE A 48 -4.301 2.008 -3.848 1.00 14.35 C ATOM 794 CZ PHE A 48 -4.037 1.930 -2.492 1.00 41.50 C ATOM 0 H PHE A 48 -9.331 -1.723 -4.676 1.00 5.12 H new ATOM 0 HA PHE A 48 -8.571 0.334 -2.827 1.00 55.20 H new ATOM 0 HB2 PHE A 48 -7.087 -1.532 -3.806 1.00 10.30 H new ATOM 0 HB3 PHE A 48 -7.036 -0.590 -5.283 1.00 10.30 H new ATOM 0 HD1 PHE A 48 -6.305 -0.398 -1.620 1.00 61.40 H new ATOM 0 HD2 PHE A 48 -5.468 1.261 -5.473 1.00 13.32 H new ATOM 0 HE1 PHE A 48 -4.560 1.014 -0.634 1.00 4.42 H new ATOM 0 HE2 PHE A 48 -3.743 2.694 -4.468 1.00 14.35 H new ATOM 0 HZ PHE A 48 -3.263 2.544 -2.057 1.00 41.50 H new ATOM 804 N ASN A 49 -9.463 1.212 -5.889 1.00 24.23 N ATOM 805 CA ASN A 49 -9.893 2.378 -6.713 1.00 64.13 C ATOM 806 C ASN A 49 -10.882 3.260 -5.911 1.00 10.44 C ATOM 807 O ASN A 49 -10.745 4.483 -5.864 1.00 54.34 O ATOM 808 CB ASN A 49 -10.555 1.913 -8.045 1.00 51.35 C ATOM 809 CG ASN A 49 -9.593 1.180 -8.991 1.00 41.51 C ATOM 810 OD1 ASN A 49 -8.409 1.495 -9.070 1.00 15.25 O ATOM 811 ND2 ASN A 49 -10.088 0.187 -9.707 1.00 43.03 N ATOM 0 H ASN A 49 -9.689 0.308 -6.305 1.00 24.23 H new ATOM 0 HA ASN A 49 -9.007 2.962 -6.960 1.00 64.13 H new ATOM 0 HB2 ASN A 49 -11.393 1.256 -7.813 1.00 51.35 H new ATOM 0 HB3 ASN A 49 -10.964 2.782 -8.560 1.00 51.35 H new ATOM 0 HD21 ASN A 49 -9.484 -0.335 -10.341 1.00 43.03 H new ATOM 0 HD22 ASN A 49 -11.075 -0.058 -9.626 1.00 43.03 H new ATOM 818 N GLU A 50 -11.862 2.592 -5.268 1.00 72.14 N ATOM 819 CA GLU A 50 -12.808 3.220 -4.313 1.00 63.31 C ATOM 820 C GLU A 50 -12.056 3.818 -3.083 1.00 33.42 C ATOM 821 O GLU A 50 -12.293 4.968 -2.696 1.00 42.03 O ATOM 822 CB GLU A 50 -13.866 2.157 -3.871 1.00 11.44 C ATOM 823 CG GLU A 50 -14.819 2.571 -2.716 1.00 2.42 C ATOM 824 CD GLU A 50 -15.662 3.833 -2.999 1.00 52.02 C ATOM 825 OE1 GLU A 50 -16.695 3.729 -3.698 1.00 43.04 O ATOM 826 OE2 GLU A 50 -15.313 4.930 -2.493 1.00 25.41 O ATOM 0 H GLU A 50 -12.023 1.593 -5.396 1.00 72.14 H new ATOM 0 HA GLU A 50 -13.318 4.049 -4.805 1.00 63.31 H new ATOM 0 HB2 GLU A 50 -14.473 1.898 -4.738 1.00 11.44 H new ATOM 0 HB3 GLU A 50 -13.337 1.253 -3.570 1.00 11.44 H new ATOM 0 HG2 GLU A 50 -15.492 1.741 -2.503 1.00 2.42 H new ATOM 0 HG3 GLU A 50 -14.227 2.740 -1.817 1.00 2.42 H new ATOM 833 N MET A 51 -11.125 3.030 -2.505 1.00 32.31 N ATOM 834 CA MET A 51 -10.340 3.429 -1.304 1.00 73.41 C ATOM 835 C MET A 51 -9.485 4.695 -1.565 1.00 5.11 C ATOM 836 O MET A 51 -9.367 5.556 -0.699 1.00 23.22 O ATOM 837 CB MET A 51 -9.428 2.250 -0.850 1.00 52.11 C ATOM 838 CG MET A 51 -8.625 2.457 0.462 1.00 44.11 C ATOM 839 SD MET A 51 -9.561 2.072 1.975 1.00 22.54 S ATOM 840 CE MET A 51 -10.702 3.447 2.167 1.00 32.00 C ATOM 0 H MET A 51 -10.892 2.100 -2.852 1.00 32.31 H new ATOM 0 HA MET A 51 -11.048 3.670 -0.511 1.00 73.41 H new ATOM 0 HB2 MET A 51 -10.051 1.364 -0.732 1.00 52.11 H new ATOM 0 HB3 MET A 51 -8.721 2.038 -1.652 1.00 52.11 H new ATOM 0 HG2 MET A 51 -7.732 1.832 0.431 1.00 44.11 H new ATOM 0 HG3 MET A 51 -8.288 3.493 0.510 1.00 44.11 H new ATOM 0 HE1 MET A 51 -10.880 3.626 3.227 1.00 32.00 H new ATOM 0 HE2 MET A 51 -10.273 4.341 1.715 1.00 32.00 H new ATOM 0 HE3 MET A 51 -11.645 3.208 1.676 1.00 32.00 H new ATOM 850 N MET A 52 -8.905 4.776 -2.770 1.00 2.13 N ATOM 851 CA MET A 52 -8.038 5.893 -3.211 1.00 54.13 C ATOM 852 C MET A 52 -8.867 7.156 -3.583 1.00 33.50 C ATOM 853 O MET A 52 -8.390 8.285 -3.434 1.00 70.22 O ATOM 854 CB MET A 52 -7.162 5.412 -4.401 1.00 13.34 C ATOM 855 CG MET A 52 -6.110 6.416 -4.902 1.00 44.01 C ATOM 856 SD MET A 52 -5.070 5.746 -6.227 1.00 23.41 S ATOM 857 CE MET A 52 -6.282 5.290 -7.471 1.00 71.32 C ATOM 0 H MET A 52 -9.023 4.057 -3.484 1.00 2.13 H new ATOM 0 HA MET A 52 -7.390 6.187 -2.385 1.00 54.13 H new ATOM 0 HB2 MET A 52 -6.651 4.496 -4.105 1.00 13.34 H new ATOM 0 HB3 MET A 52 -7.819 5.157 -5.232 1.00 13.34 H new ATOM 0 HG2 MET A 52 -6.614 7.313 -5.261 1.00 44.01 H new ATOM 0 HG3 MET A 52 -5.477 6.718 -4.068 1.00 44.01 H new ATOM 0 HE1 MET A 52 -5.782 5.137 -8.427 1.00 71.32 H new ATOM 0 HE2 MET A 52 -6.782 4.369 -7.171 1.00 71.32 H new ATOM 0 HE3 MET A 52 -7.019 6.087 -7.570 1.00 71.32 H new ATOM 867 N SER A 53 -10.110 6.946 -4.074 1.00 30.31 N ATOM 868 CA SER A 53 -11.064 8.055 -4.377 1.00 33.11 C ATOM 869 C SER A 53 -11.463 8.828 -3.099 1.00 73.42 C ATOM 870 O SER A 53 -11.695 10.042 -3.135 1.00 41.24 O ATOM 871 CB SER A 53 -12.343 7.512 -5.062 1.00 15.12 C ATOM 872 OG SER A 53 -12.048 6.912 -6.317 1.00 1.03 O ATOM 0 H SER A 53 -10.483 6.018 -4.272 1.00 30.31 H new ATOM 0 HA SER A 53 -10.551 8.738 -5.054 1.00 33.11 H new ATOM 0 HB2 SER A 53 -12.823 6.780 -4.412 1.00 15.12 H new ATOM 0 HB3 SER A 53 -13.054 8.326 -5.205 1.00 15.12 H new ATOM 0 HG SER A 53 -11.603 6.051 -6.171 1.00 1.03 H new ATOM 878 N LYS A 54 -11.548 8.099 -1.978 1.00 63.24 N ATOM 879 CA LYS A 54 -11.906 8.670 -0.666 1.00 24.52 C ATOM 880 C LYS A 54 -10.624 9.180 0.054 1.00 42.03 C ATOM 881 O LYS A 54 -10.555 10.335 0.489 1.00 31.32 O ATOM 882 CB LYS A 54 -12.647 7.573 0.165 1.00 2.24 C ATOM 883 CG LYS A 54 -13.597 8.073 1.290 1.00 1.31 C ATOM 884 CD LYS A 54 -12.875 8.776 2.468 1.00 33.10 C ATOM 885 CE LYS A 54 -13.807 9.117 3.640 1.00 21.41 C ATOM 886 NZ LYS A 54 -14.356 7.899 4.288 1.00 23.33 N ATOM 0 H LYS A 54 -11.371 7.095 -1.952 1.00 63.24 H new ATOM 0 HA LYS A 54 -12.571 9.525 -0.784 1.00 24.52 H new ATOM 0 HB2 LYS A 54 -13.228 6.959 -0.523 1.00 2.24 H new ATOM 0 HB3 LYS A 54 -11.897 6.923 0.616 1.00 2.24 H new ATOM 0 HG2 LYS A 54 -14.321 8.764 0.858 1.00 1.31 H new ATOM 0 HG3 LYS A 54 -14.160 7.224 1.678 1.00 1.31 H new ATOM 0 HD2 LYS A 54 -12.072 8.133 2.828 1.00 33.10 H new ATOM 0 HD3 LYS A 54 -12.411 9.693 2.104 1.00 33.10 H new ATOM 0 HE2 LYS A 54 -13.261 9.705 4.378 1.00 21.41 H new ATOM 0 HE3 LYS A 54 -14.628 9.738 3.281 1.00 21.41 H new ATOM 0 HZ1 LYS A 54 -14.839 8.163 5.170 1.00 23.33 H new ATOM 0 HZ2 LYS A 54 -15.033 7.440 3.646 1.00 23.33 H new ATOM 0 HZ3 LYS A 54 -13.580 7.240 4.502 1.00 23.33 H new ATOM 900 N GLU A 55 -9.619 8.293 0.159 1.00 71.21 N ATOM 901 CA GLU A 55 -8.335 8.573 0.843 1.00 32.01 C ATOM 902 C GLU A 55 -7.254 9.026 -0.169 1.00 62.45 C ATOM 903 O GLU A 55 -6.797 8.234 -1.004 1.00 63.14 O ATOM 904 CB GLU A 55 -7.843 7.308 1.608 1.00 64.51 C ATOM 905 CG GLU A 55 -8.775 6.811 2.734 1.00 4.23 C ATOM 906 CD GLU A 55 -8.956 7.829 3.879 1.00 72.13 C ATOM 907 OE1 GLU A 55 -7.943 8.296 4.443 1.00 24.20 O ATOM 908 OE2 GLU A 55 -10.110 8.156 4.235 1.00 21.11 O ATOM 0 H GLU A 55 -9.671 7.352 -0.231 1.00 71.21 H new ATOM 0 HA GLU A 55 -8.503 9.381 1.555 1.00 32.01 H new ATOM 0 HB2 GLU A 55 -7.706 6.500 0.889 1.00 64.51 H new ATOM 0 HB3 GLU A 55 -6.864 7.522 2.037 1.00 64.51 H new ATOM 0 HG2 GLU A 55 -9.751 6.577 2.310 1.00 4.23 H new ATOM 0 HG3 GLU A 55 -8.374 5.884 3.143 1.00 4.23 H new ATOM 915 N GLN A 56 -6.847 10.305 -0.081 1.00 42.12 N ATOM 916 CA GLN A 56 -5.818 10.889 -0.965 1.00 74.41 C ATOM 917 C GLN A 56 -4.392 10.520 -0.468 1.00 74.42 C ATOM 918 O GLN A 56 -3.981 10.933 0.623 1.00 70.24 O ATOM 919 CB GLN A 56 -6.007 12.429 -1.034 1.00 44.11 C ATOM 920 CG GLN A 56 -5.003 13.174 -1.938 1.00 34.45 C ATOM 921 CD GLN A 56 -5.280 14.683 -2.024 1.00 43.03 C ATOM 922 OE1 GLN A 56 -4.773 15.469 -1.231 1.00 21.50 O ATOM 923 NE2 GLN A 56 -6.086 15.095 -2.979 1.00 33.21 N ATOM 0 H GLN A 56 -7.220 10.963 0.603 1.00 42.12 H new ATOM 0 HA GLN A 56 -5.932 10.477 -1.968 1.00 74.41 H new ATOM 0 HB2 GLN A 56 -7.016 12.640 -1.388 1.00 44.11 H new ATOM 0 HB3 GLN A 56 -5.932 12.834 -0.025 1.00 44.11 H new ATOM 0 HG2 GLN A 56 -3.994 13.016 -1.558 1.00 34.45 H new ATOM 0 HG3 GLN A 56 -5.037 12.746 -2.940 1.00 34.45 H new ATOM 0 HE21 GLN A 56 -6.495 14.422 -3.627 1.00 33.21 H new ATOM 0 HE22 GLN A 56 -6.301 16.088 -3.072 1.00 33.21 H new ATOM 932 N PHE A 57 -3.657 9.727 -1.271 1.00 32.04 N ATOM 933 CA PHE A 57 -2.270 9.289 -0.942 1.00 50.30 C ATOM 934 C PHE A 57 -1.218 10.128 -1.715 1.00 75.41 C ATOM 935 O PHE A 57 -1.560 10.909 -2.611 1.00 65.22 O ATOM 936 CB PHE A 57 -2.083 7.783 -1.277 1.00 4.23 C ATOM 937 CG PHE A 57 -3.147 6.859 -0.667 1.00 43.43 C ATOM 938 CD1 PHE A 57 -3.244 6.692 0.715 1.00 65.12 C ATOM 939 CD2 PHE A 57 -4.050 6.160 -1.478 1.00 40.11 C ATOM 940 CE1 PHE A 57 -4.202 5.855 1.262 1.00 31.02 C ATOM 941 CE2 PHE A 57 -5.004 5.326 -0.927 1.00 22.55 C ATOM 942 CZ PHE A 57 -5.082 5.175 0.441 1.00 3.33 C ATOM 0 H PHE A 57 -3.998 9.369 -2.163 1.00 32.04 H new ATOM 0 HA PHE A 57 -2.119 9.443 0.126 1.00 50.30 H new ATOM 0 HB2 PHE A 57 -2.091 7.661 -2.360 1.00 4.23 H new ATOM 0 HB3 PHE A 57 -1.101 7.465 -0.928 1.00 4.23 H new ATOM 0 HD1 PHE A 57 -2.564 7.222 1.366 1.00 65.12 H new ATOM 0 HD2 PHE A 57 -4.000 6.275 -2.551 1.00 40.11 H new ATOM 0 HE1 PHE A 57 -4.262 5.733 2.333 1.00 31.02 H new ATOM 0 HE2 PHE A 57 -5.689 4.792 -1.569 1.00 22.55 H new ATOM 0 HZ PHE A 57 -5.830 4.526 0.871 1.00 3.33 H new ATOM 952 N ASN A 58 0.067 9.965 -1.348 1.00 41.51 N ATOM 953 CA ASN A 58 1.205 10.568 -2.091 1.00 73.42 C ATOM 954 C ASN A 58 1.626 9.658 -3.268 1.00 63.54 C ATOM 955 O ASN A 58 1.351 8.459 -3.249 1.00 11.20 O ATOM 956 CB ASN A 58 2.413 10.797 -1.145 1.00 63.44 C ATOM 957 CG ASN A 58 2.126 11.769 0.004 1.00 13.43 C ATOM 958 OD1 ASN A 58 1.010 11.866 0.503 1.00 65.24 O ATOM 959 ND2 ASN A 58 3.130 12.500 0.437 1.00 30.43 N ATOM 0 H ASN A 58 0.351 9.417 -0.536 1.00 41.51 H new ATOM 0 HA ASN A 58 0.880 11.530 -2.487 1.00 73.42 H new ATOM 0 HB2 ASN A 58 2.722 9.839 -0.728 1.00 63.44 H new ATOM 0 HB3 ASN A 58 3.252 11.177 -1.728 1.00 63.44 H new ATOM 0 HD21 ASN A 58 2.987 13.161 1.200 1.00 30.43 H new ATOM 0 HD22 ASN A 58 4.051 12.405 0.010 1.00 30.43 H new ATOM 966 N GLU A 59 2.316 10.231 -4.276 1.00 11.22 N ATOM 967 CA GLU A 59 2.803 9.466 -5.456 1.00 13.23 C ATOM 968 C GLU A 59 3.879 8.417 -5.062 1.00 34.12 C ATOM 969 O GLU A 59 3.942 7.326 -5.640 1.00 1.00 O ATOM 970 CB GLU A 59 3.357 10.427 -6.547 1.00 31.52 C ATOM 971 CG GLU A 59 4.514 11.343 -6.088 1.00 70.43 C ATOM 972 CD GLU A 59 5.144 12.161 -7.228 1.00 51.43 C ATOM 973 OE1 GLU A 59 4.613 13.238 -7.576 1.00 60.01 O ATOM 974 OE2 GLU A 59 6.173 11.726 -7.789 1.00 14.01 O ATOM 0 H GLU A 59 2.552 11.223 -4.301 1.00 11.22 H new ATOM 0 HA GLU A 59 1.949 8.926 -5.865 1.00 13.23 H new ATOM 0 HB2 GLU A 59 3.700 9.832 -7.393 1.00 31.52 H new ATOM 0 HB3 GLU A 59 2.540 11.052 -6.907 1.00 31.52 H new ATOM 0 HG2 GLU A 59 4.143 12.026 -5.324 1.00 70.43 H new ATOM 0 HG3 GLU A 59 5.286 10.732 -5.621 1.00 70.43 H new ATOM 981 N ALA A 60 4.713 8.768 -4.058 1.00 23.44 N ATOM 982 CA ALA A 60 5.740 7.856 -3.495 1.00 11.13 C ATOM 983 C ALA A 60 5.095 6.707 -2.680 1.00 52.31 C ATOM 984 O ALA A 60 5.617 5.585 -2.652 1.00 1.11 O ATOM 985 CB ALA A 60 6.740 8.643 -2.633 1.00 70.24 C ATOM 0 H ALA A 60 4.696 9.687 -3.615 1.00 23.44 H new ATOM 0 HA ALA A 60 6.278 7.403 -4.328 1.00 11.13 H new ATOM 0 HB1 ALA A 60 7.487 7.960 -2.227 1.00 70.24 H new ATOM 0 HB2 ALA A 60 7.233 9.398 -3.245 1.00 70.24 H new ATOM 0 HB3 ALA A 60 6.210 9.130 -1.814 1.00 70.24 H new ATOM 991 N GLN A 61 3.958 7.012 -2.019 1.00 51.12 N ATOM 992 CA GLN A 61 3.133 5.998 -1.326 1.00 71.14 C ATOM 993 C GLN A 61 2.534 4.997 -2.339 1.00 63.32 C ATOM 994 O GLN A 61 2.735 3.792 -2.209 1.00 13.12 O ATOM 995 CB GLN A 61 1.994 6.670 -0.501 1.00 12.20 C ATOM 996 CG GLN A 61 2.466 7.461 0.739 1.00 72.11 C ATOM 997 CD GLN A 61 1.317 8.112 1.523 1.00 42.12 C ATOM 998 OE1 GLN A 61 0.195 7.613 1.549 1.00 21.01 O ATOM 999 NE2 GLN A 61 1.577 9.235 2.158 1.00 51.52 N ATOM 0 H GLN A 61 3.588 7.960 -1.950 1.00 51.12 H new ATOM 0 HA GLN A 61 3.782 5.456 -0.638 1.00 71.14 H new ATOM 0 HB2 GLN A 61 1.441 7.345 -1.155 1.00 12.20 H new ATOM 0 HB3 GLN A 61 1.296 5.898 -0.177 1.00 12.20 H new ATOM 0 HG2 GLN A 61 3.013 6.790 1.401 1.00 72.11 H new ATOM 0 HG3 GLN A 61 3.164 8.236 0.422 1.00 72.11 H new ATOM 0 HE21 GLN A 61 2.515 9.634 2.125 1.00 51.52 H new ATOM 0 HE22 GLN A 61 0.840 9.706 2.683 1.00 51.52 H new ATOM 1008 N LEU A 62 1.832 5.530 -3.361 1.00 51.22 N ATOM 1009 CA LEU A 62 1.185 4.728 -4.431 1.00 44.11 C ATOM 1010 C LEU A 62 2.194 3.830 -5.185 1.00 24.53 C ATOM 1011 O LEU A 62 1.843 2.735 -5.627 1.00 4.11 O ATOM 1012 CB LEU A 62 0.457 5.672 -5.427 1.00 64.34 C ATOM 1013 CG LEU A 62 -0.765 6.453 -4.845 1.00 34.21 C ATOM 1014 CD1 LEU A 62 -1.319 7.486 -5.854 1.00 75.12 C ATOM 1015 CD2 LEU A 62 -1.876 5.480 -4.378 1.00 55.24 C ATOM 0 H LEU A 62 1.695 6.535 -3.471 1.00 51.22 H new ATOM 0 HA LEU A 62 0.462 4.066 -3.954 1.00 44.11 H new ATOM 0 HB2 LEU A 62 1.179 6.394 -5.809 1.00 64.34 H new ATOM 0 HB3 LEU A 62 0.116 5.081 -6.277 1.00 64.34 H new ATOM 0 HG LEU A 62 -0.412 7.006 -3.975 1.00 34.21 H new ATOM 0 HD11 LEU A 62 -2.168 8.008 -5.412 1.00 75.12 H new ATOM 0 HD12 LEU A 62 -0.539 8.206 -6.102 1.00 75.12 H new ATOM 0 HD13 LEU A 62 -1.641 6.973 -6.760 1.00 75.12 H new ATOM 0 HD21 LEU A 62 -2.714 6.050 -3.977 1.00 55.24 H new ATOM 0 HD22 LEU A 62 -2.215 4.882 -5.224 1.00 55.24 H new ATOM 0 HD23 LEU A 62 -1.482 4.822 -3.604 1.00 55.24 H new ATOM 1027 N ALA A 63 3.442 4.322 -5.322 1.00 1.45 N ATOM 1028 CA ALA A 63 4.561 3.555 -5.904 1.00 62.54 C ATOM 1029 C ALA A 63 4.799 2.242 -5.130 1.00 22.31 C ATOM 1030 O ALA A 63 4.673 1.149 -5.692 1.00 53.22 O ATOM 1031 CB ALA A 63 5.835 4.422 -5.922 1.00 74.10 C ATOM 0 H ALA A 63 3.702 5.264 -5.031 1.00 1.45 H new ATOM 0 HA ALA A 63 4.303 3.287 -6.929 1.00 62.54 H new ATOM 0 HB1 ALA A 63 6.658 3.851 -6.352 1.00 74.10 H new ATOM 0 HB2 ALA A 63 5.659 5.314 -6.523 1.00 74.10 H new ATOM 0 HB3 ALA A 63 6.090 4.715 -4.904 1.00 74.10 H new ATOM 1037 N LEU A 64 5.078 2.376 -3.817 1.00 63.03 N ATOM 1038 CA LEU A 64 5.388 1.229 -2.938 1.00 44.30 C ATOM 1039 C LEU A 64 4.169 0.294 -2.757 1.00 14.34 C ATOM 1040 O LEU A 64 4.328 -0.920 -2.739 1.00 64.11 O ATOM 1041 CB LEU A 64 5.905 1.722 -1.562 1.00 71.52 C ATOM 1042 CG LEU A 64 6.372 0.603 -0.571 1.00 4.41 C ATOM 1043 CD1 LEU A 64 7.527 -0.246 -1.158 1.00 11.22 C ATOM 1044 CD2 LEU A 64 6.760 1.194 0.797 1.00 50.12 C ATOM 0 H LEU A 64 5.095 3.277 -3.338 1.00 63.03 H new ATOM 0 HA LEU A 64 6.174 0.650 -3.423 1.00 44.30 H new ATOM 0 HB2 LEU A 64 6.739 2.403 -1.731 1.00 71.52 H new ATOM 0 HB3 LEU A 64 5.114 2.299 -1.083 1.00 71.52 H new ATOM 0 HG LEU A 64 5.523 -0.065 -0.421 1.00 4.41 H new ATOM 0 HD11 LEU A 64 7.820 -1.010 -0.438 1.00 11.22 H new ATOM 0 HD12 LEU A 64 7.195 -0.724 -2.079 1.00 11.22 H new ATOM 0 HD13 LEU A 64 8.380 0.398 -1.371 1.00 11.22 H new ATOM 0 HD21 LEU A 64 7.080 0.392 1.462 1.00 50.12 H new ATOM 0 HD22 LEU A 64 7.576 1.905 0.668 1.00 50.12 H new ATOM 0 HD23 LEU A 64 5.900 1.704 1.230 1.00 50.12 H new ATOM 1056 N ILE A 65 2.960 0.881 -2.634 1.00 41.31 N ATOM 1057 CA ILE A 65 1.682 0.128 -2.525 1.00 15.24 C ATOM 1058 C ILE A 65 1.498 -0.864 -3.707 1.00 54.23 C ATOM 1059 O ILE A 65 1.161 -2.035 -3.504 1.00 15.24 O ATOM 1060 CB ILE A 65 0.451 1.127 -2.433 1.00 3.40 C ATOM 1061 CG1 ILE A 65 0.448 1.866 -1.048 1.00 4.31 C ATOM 1062 CG2 ILE A 65 -0.906 0.421 -2.690 1.00 13.33 C ATOM 1063 CD1 ILE A 65 -0.620 2.943 -0.876 1.00 32.02 C ATOM 0 H ILE A 65 2.837 1.893 -2.607 1.00 41.31 H new ATOM 0 HA ILE A 65 1.723 -0.460 -1.608 1.00 15.24 H new ATOM 0 HB ILE A 65 0.573 1.865 -3.226 1.00 3.40 H new ATOM 0 HG12 ILE A 65 0.319 1.123 -0.261 1.00 4.31 H new ATOM 0 HG13 ILE A 65 1.426 2.323 -0.898 1.00 4.31 H new ATOM 0 HG21 ILE A 65 -1.714 1.148 -2.615 1.00 13.33 H new ATOM 0 HG22 ILE A 65 -0.904 -0.019 -3.687 1.00 13.33 H new ATOM 0 HG23 ILE A 65 -1.054 -0.364 -1.948 1.00 13.33 H new ATOM 0 HD11 ILE A 65 -0.532 3.388 0.115 1.00 32.02 H new ATOM 0 HD12 ILE A 65 -0.484 3.715 -1.634 1.00 32.02 H new ATOM 0 HD13 ILE A 65 -1.608 2.496 -0.986 1.00 32.02 H new ATOM 1075 N ARG A 66 1.746 -0.383 -4.937 1.00 51.33 N ATOM 1076 CA ARG A 66 1.668 -1.229 -6.149 1.00 52.11 C ATOM 1077 C ARG A 66 2.716 -2.369 -6.115 1.00 51.21 C ATOM 1078 O ARG A 66 2.392 -3.511 -6.451 1.00 22.43 O ATOM 1079 CB ARG A 66 1.830 -0.361 -7.424 1.00 74.24 C ATOM 1080 CG ARG A 66 0.651 0.614 -7.677 1.00 60.03 C ATOM 1081 CD ARG A 66 0.887 1.541 -8.884 1.00 32.41 C ATOM 1082 NE ARG A 66 2.046 2.431 -8.677 1.00 3.13 N ATOM 1083 CZ ARG A 66 2.709 3.054 -9.631 1.00 62.25 C ATOM 1084 NH1 ARG A 66 2.423 2.878 -10.885 1.00 71.15 N ATOM 1085 NH2 ARG A 66 3.677 3.847 -9.321 1.00 12.34 N ATOM 0 H ARG A 66 2.002 0.587 -5.122 1.00 51.33 H new ATOM 0 HA ARG A 66 0.683 -1.696 -6.171 1.00 52.11 H new ATOM 0 HB2 ARG A 66 2.753 0.214 -7.345 1.00 74.24 H new ATOM 0 HB3 ARG A 66 1.936 -1.018 -8.287 1.00 74.24 H new ATOM 0 HG2 ARG A 66 -0.261 0.039 -7.840 1.00 60.03 H new ATOM 0 HG3 ARG A 66 0.490 1.220 -6.786 1.00 60.03 H new ATOM 0 HD2 ARG A 66 1.047 0.939 -9.778 1.00 32.41 H new ATOM 0 HD3 ARG A 66 -0.005 2.142 -9.060 1.00 32.41 H new ATOM 0 HE ARG A 66 2.360 2.576 -7.717 1.00 3.13 H new ATOM 0 HH11 ARG A 66 1.669 2.245 -11.152 1.00 71.15 H new ATOM 0 HH12 ARG A 66 2.952 3.373 -11.603 1.00 71.15 H new ATOM 0 HH21 ARG A 66 3.926 3.989 -8.342 1.00 12.34 H new ATOM 0 HH22 ARG A 66 4.194 4.332 -10.055 1.00 12.34 H new ATOM 1099 N ASP A 67 3.954 -2.053 -5.668 1.00 73.24 N ATOM 1100 CA ASP A 67 5.053 -3.049 -5.532 1.00 25.33 C ATOM 1101 C ASP A 67 4.703 -4.161 -4.513 1.00 12.41 C ATOM 1102 O ASP A 67 4.916 -5.349 -4.776 1.00 34.55 O ATOM 1103 CB ASP A 67 6.374 -2.350 -5.103 1.00 60.53 C ATOM 1104 CG ASP A 67 6.814 -1.230 -6.057 1.00 63.40 C ATOM 1105 OD1 ASP A 67 6.713 -1.409 -7.293 1.00 2.02 O ATOM 1106 OD2 ASP A 67 7.286 -0.176 -5.581 1.00 32.35 O ATOM 0 H ASP A 67 4.222 -1.108 -5.392 1.00 73.24 H new ATOM 0 HA ASP A 67 5.186 -3.513 -6.509 1.00 25.33 H new ATOM 0 HB2 ASP A 67 6.248 -1.935 -4.103 1.00 60.53 H new ATOM 0 HB3 ASP A 67 7.167 -3.096 -5.041 1.00 60.53 H new ATOM 1111 N ILE A 68 4.148 -3.744 -3.358 1.00 22.24 N ATOM 1112 CA ILE A 68 3.750 -4.644 -2.253 1.00 12.43 C ATOM 1113 C ILE A 68 2.659 -5.644 -2.708 1.00 32.14 C ATOM 1114 O ILE A 68 2.713 -6.826 -2.362 1.00 60.41 O ATOM 1115 CB ILE A 68 3.250 -3.811 -0.995 1.00 0.24 C ATOM 1116 CG1 ILE A 68 4.430 -3.010 -0.348 1.00 13.15 C ATOM 1117 CG2 ILE A 68 2.545 -4.703 0.061 1.00 44.44 C ATOM 1118 CD1 ILE A 68 4.036 -2.119 0.829 1.00 4.14 C ATOM 0 H ILE A 68 3.960 -2.761 -3.162 1.00 22.24 H new ATOM 0 HA ILE A 68 4.631 -5.215 -1.960 1.00 12.43 H new ATOM 0 HB ILE A 68 2.508 -3.101 -1.360 1.00 0.24 H new ATOM 0 HG12 ILE A 68 5.188 -3.717 -0.011 1.00 13.15 H new ATOM 0 HG13 ILE A 68 4.892 -2.389 -1.116 1.00 13.15 H new ATOM 0 HG21 ILE A 68 2.222 -4.087 0.900 1.00 44.44 H new ATOM 0 HG22 ILE A 68 1.678 -5.185 -0.390 1.00 44.44 H new ATOM 0 HG23 ILE A 68 3.239 -5.465 0.416 1.00 44.44 H new ATOM 0 HD11 ILE A 68 4.920 -1.606 1.209 1.00 4.14 H new ATOM 0 HD12 ILE A 68 3.303 -1.383 0.499 1.00 4.14 H new ATOM 0 HD13 ILE A 68 3.604 -2.731 1.620 1.00 4.14 H new ATOM 1130 N ARG A 69 1.673 -5.159 -3.488 1.00 53.12 N ATOM 1131 CA ARG A 69 0.566 -6.008 -3.994 1.00 3.04 C ATOM 1132 C ARG A 69 1.027 -6.969 -5.135 1.00 52.21 C ATOM 1133 O ARG A 69 0.492 -8.080 -5.269 1.00 61.02 O ATOM 1134 CB ARG A 69 -0.634 -5.121 -4.422 1.00 52.54 C ATOM 1135 CG ARG A 69 -1.887 -5.907 -4.894 1.00 73.22 C ATOM 1136 CD ARG A 69 -3.192 -5.094 -4.801 1.00 1.41 C ATOM 1137 NE ARG A 69 -3.129 -3.798 -5.508 1.00 63.41 N ATOM 1138 CZ ARG A 69 -3.769 -2.703 -5.136 1.00 71.54 C ATOM 1139 NH1 ARG A 69 -4.489 -2.681 -4.054 1.00 41.32 N ATOM 1140 NH2 ARG A 69 -3.678 -1.628 -5.857 1.00 65.23 N ATOM 0 H ARG A 69 1.617 -4.184 -3.784 1.00 53.12 H new ATOM 0 HA ARG A 69 0.238 -6.654 -3.180 1.00 3.04 H new ATOM 0 HB2 ARG A 69 -0.916 -4.485 -3.583 1.00 52.54 H new ATOM 0 HB3 ARG A 69 -0.311 -4.461 -5.227 1.00 52.54 H new ATOM 0 HG2 ARG A 69 -1.739 -6.225 -5.926 1.00 73.22 H new ATOM 0 HG3 ARG A 69 -1.987 -6.811 -4.293 1.00 73.22 H new ATOM 0 HD2 ARG A 69 -4.009 -5.685 -5.214 1.00 1.41 H new ATOM 0 HD3 ARG A 69 -3.426 -4.916 -3.751 1.00 1.41 H new ATOM 0 HE ARG A 69 -2.549 -3.744 -6.345 1.00 63.41 H new ATOM 0 HH11 ARG A 69 -4.567 -3.518 -3.476 1.00 41.32 H new ATOM 0 HH12 ARG A 69 -4.976 -1.827 -3.783 1.00 41.32 H new ATOM 0 HH21 ARG A 69 -3.114 -1.630 -6.707 1.00 65.23 H new ATOM 0 HH22 ARG A 69 -4.170 -0.781 -5.574 1.00 65.23 H new ATOM 1154 N ARG A 70 2.029 -6.546 -5.945 1.00 33.54 N ATOM 1155 CA ARG A 70 2.688 -7.446 -6.942 1.00 40.25 C ATOM 1156 C ARG A 70 3.429 -8.602 -6.216 1.00 23.14 C ATOM 1157 O ARG A 70 3.319 -9.771 -6.600 1.00 41.04 O ATOM 1158 CB ARG A 70 3.693 -6.662 -7.839 1.00 24.12 C ATOM 1159 CG ARG A 70 3.070 -5.559 -8.726 1.00 43.01 C ATOM 1160 CD ARG A 70 4.103 -4.876 -9.654 1.00 25.21 C ATOM 1161 NE ARG A 70 5.244 -4.274 -8.920 1.00 12.31 N ATOM 1162 CZ ARG A 70 6.488 -4.731 -8.919 1.00 34.55 C ATOM 1163 NH1 ARG A 70 6.798 -5.845 -9.509 1.00 43.44 N ATOM 1164 NH2 ARG A 70 7.413 -4.070 -8.311 1.00 31.21 N ATOM 0 H ARG A 70 2.401 -5.596 -5.933 1.00 33.54 H new ATOM 0 HA ARG A 70 1.908 -7.859 -7.581 1.00 40.25 H new ATOM 0 HB2 ARG A 70 4.447 -6.206 -7.197 1.00 24.12 H new ATOM 0 HB3 ARG A 70 4.210 -7.373 -8.483 1.00 24.12 H new ATOM 0 HG2 ARG A 70 2.276 -5.994 -9.333 1.00 43.01 H new ATOM 0 HG3 ARG A 70 2.608 -4.805 -8.088 1.00 43.01 H new ATOM 0 HD2 ARG A 70 4.484 -5.610 -10.365 1.00 25.21 H new ATOM 0 HD3 ARG A 70 3.603 -4.100 -10.234 1.00 25.21 H new ATOM 0 HE ARG A 70 5.054 -3.437 -8.369 1.00 12.31 H new ATOM 0 HH11 ARG A 70 6.078 -6.387 -9.986 1.00 43.44 H new ATOM 0 HH12 ARG A 70 7.762 -6.178 -9.496 1.00 43.44 H new ATOM 0 HH21 ARG A 70 7.186 -3.198 -7.833 1.00 31.21 H new ATOM 0 HH22 ARG A 70 8.371 -4.419 -8.308 1.00 31.21 H new ATOM 1178 N ARG A 71 4.168 -8.229 -5.152 1.00 31.05 N ATOM 1179 CA ARG A 71 4.872 -9.171 -4.245 1.00 20.34 C ATOM 1180 C ARG A 71 3.873 -10.056 -3.451 1.00 4.03 C ATOM 1181 O ARG A 71 4.177 -11.209 -3.123 1.00 34.31 O ATOM 1182 CB ARG A 71 5.769 -8.353 -3.263 1.00 3.23 C ATOM 1183 CG ARG A 71 6.447 -9.175 -2.137 1.00 3.13 C ATOM 1184 CD ARG A 71 7.300 -8.311 -1.183 1.00 3.33 C ATOM 1185 NE ARG A 71 8.402 -7.633 -1.890 1.00 3.44 N ATOM 1186 CZ ARG A 71 9.684 -7.919 -1.778 1.00 55.14 C ATOM 1187 NH1 ARG A 71 10.106 -8.836 -0.964 1.00 0.32 N ATOM 1188 NH2 ARG A 71 10.542 -7.274 -2.490 1.00 12.35 N ATOM 0 H ARG A 71 4.297 -7.252 -4.891 1.00 31.05 H new ATOM 0 HA ARG A 71 5.489 -9.839 -4.846 1.00 20.34 H new ATOM 0 HB2 ARG A 71 6.545 -7.851 -3.840 1.00 3.23 H new ATOM 0 HB3 ARG A 71 5.159 -7.575 -2.804 1.00 3.23 H new ATOM 0 HG2 ARG A 71 5.680 -9.692 -1.561 1.00 3.13 H new ATOM 0 HG3 ARG A 71 7.079 -9.942 -2.586 1.00 3.13 H new ATOM 0 HD2 ARG A 71 6.665 -7.567 -0.702 1.00 3.33 H new ATOM 0 HD3 ARG A 71 7.709 -8.940 -0.392 1.00 3.33 H new ATOM 0 HE ARG A 71 8.150 -6.874 -2.523 1.00 3.44 H new ATOM 0 HH11 ARG A 71 9.440 -9.355 -0.392 1.00 0.32 H new ATOM 0 HH12 ARG A 71 11.103 -9.038 -0.896 1.00 0.32 H new ATOM 0 HH21 ARG A 71 10.228 -6.548 -3.134 1.00 12.35 H new ATOM 0 HH22 ARG A 71 11.536 -7.489 -2.410 1.00 12.35 H new