USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 515 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: X 488 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: X 489 LYS NZ :NH3+ -166:sc=-0.00631 (180deg=-0.331) USER MOD Single : X 428 THR OG1 : rot -52:sc= 0.743 USER MOD Single : X 429 SER OG : rot 180:sc= 0 USER MOD Single : X 430 SER OG : rot 180:sc= 0 USER MOD Single : X 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 443 THR OG1 : rot 180:sc= 0 USER MOD Single : X 448 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 453 THR OG1 : rot 180:sc= 0 USER MOD Single : X 455 LYS NZ :NH3+ 164:sc= -0.85 (180deg=-1.18) USER MOD Single : X 456 LYS NZ :NH3+ -164:sc= -0.0221 (180deg=-0.263) USER MOD Single : X 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 465 THR OG1 : rot 16:sc= 0.362 USER MOD Single : X 467 TYR OH : rot 33:sc= 1.27 USER MOD Single : X 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 470 SER OG : rot 180:sc= 0 USER MOD Single : X 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 478 TYR OH : rot 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.304 USER MOD Single : X 482 GLN : amide:sc= -0.464 K(o=-0.46,f=-1) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 490 TYR OH : rot 134:sc= -1.41 USER MOD Single : X 495 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR X 428 19.614 14.456 -14.249 1.00 5.00 N ATOM 2 CA THR X 428 20.306 13.985 -15.441 1.00 12.01 C ATOM 3 C THR X 428 20.159 12.476 -15.602 1.00 30.04 C ATOM 4 O THR X 428 21.033 11.814 -16.159 1.00 12.04 O ATOM 5 CB THR X 428 21.805 14.341 -15.398 1.00 24.02 C ATOM 6 OG1 THR X 428 22.416 14.038 -16.658 1.00 71.40 O ATOM 7 CG2 THR X 428 22.511 13.577 -14.290 1.00 53.21 C ATOM 0 HA THR X 428 19.845 14.486 -16.292 1.00 12.01 H new ATOM 0 HB THR X 428 21.897 15.408 -15.197 1.00 24.02 H new ATOM 0 HG1 THR X 428 22.203 13.116 -16.912 1.00 71.40 H new ATOM 0 HG21 THR X 428 23.568 13.845 -14.279 1.00 53.21 H new ATOM 0 HG22 THR X 428 22.063 13.832 -13.330 1.00 53.21 H new ATOM 0 HG23 THR X 428 22.410 12.506 -14.465 1.00 53.21 H new ATOM 15 N SER X 429 19.047 11.939 -15.111 1.00 22.44 N ATOM 16 CA SER X 429 18.786 10.507 -15.198 1.00 32.13 C ATOM 17 C SER X 429 17.356 10.242 -15.659 1.00 55.14 C ATOM 18 O SER X 429 16.415 10.894 -15.206 1.00 1.53 O ATOM 19 CB SER X 429 19.029 9.840 -13.843 1.00 32.21 C ATOM 20 OG SER X 429 18.205 10.409 -12.839 1.00 61.33 O ATOM 0 H SER X 429 18.312 12.474 -14.649 1.00 22.44 H new ATOM 0 HA SER X 429 19.470 10.082 -15.932 1.00 32.13 H new ATOM 0 HB2 SER X 429 18.829 8.771 -13.919 1.00 32.21 H new ATOM 0 HB3 SER X 429 20.077 9.949 -13.563 1.00 32.21 H new ATOM 0 HG SER X 429 18.378 9.964 -11.983 1.00 61.33 H new ATOM 25 N SER X 430 17.201 9.281 -16.564 1.00 63.41 N ATOM 26 CA SER X 430 15.887 8.931 -17.090 1.00 72.23 C ATOM 27 C SER X 430 15.607 7.442 -16.906 1.00 21.21 C ATOM 28 O SER X 430 15.592 6.680 -17.872 1.00 14.24 O ATOM 29 CB SER X 430 15.794 9.300 -18.573 1.00 32.50 C ATOM 30 OG SER X 430 14.444 9.469 -18.971 1.00 33.14 O ATOM 0 H SER X 430 17.969 8.731 -16.948 1.00 63.41 H new ATOM 0 HA SER X 430 15.138 9.495 -16.534 1.00 72.23 H new ATOM 0 HB2 SER X 430 16.349 10.220 -18.758 1.00 32.50 H new ATOM 0 HB3 SER X 430 16.259 8.520 -19.175 1.00 32.50 H new ATOM 0 HG SER X 430 14.410 9.706 -19.921 1.00 33.14 H new ATOM 35 N GLU X 431 15.387 7.038 -15.659 1.00 55.00 N ATOM 36 CA GLU X 431 15.108 5.640 -15.349 1.00 42.22 C ATOM 37 C GLU X 431 13.649 5.299 -15.639 1.00 20.45 C ATOM 38 O GLU X 431 13.341 4.220 -16.148 1.00 73.30 O ATOM 39 CB GLU X 431 15.429 5.347 -13.882 1.00 41.44 C ATOM 40 CG GLU X 431 16.904 5.480 -13.543 1.00 32.03 C ATOM 41 CD GLU X 431 17.200 5.165 -12.090 1.00 12.42 C ATOM 42 OE1 GLU X 431 16.914 6.021 -11.227 1.00 75.10 O ATOM 43 OE2 GLU X 431 17.718 4.062 -11.816 1.00 11.15 O ATOM 0 H GLU X 431 15.396 7.657 -14.848 1.00 55.00 H new ATOM 0 HA GLU X 431 15.741 5.020 -15.984 1.00 42.22 H new ATOM 0 HB2 GLU X 431 14.857 6.027 -13.251 1.00 41.44 H new ATOM 0 HB3 GLU X 431 15.099 4.336 -13.642 1.00 41.44 H new ATOM 0 HG2 GLU X 431 17.481 4.810 -14.181 1.00 32.03 H new ATOM 0 HG3 GLU X 431 17.234 6.495 -13.765 1.00 32.03 H new ATOM 48 N LEU X 432 12.754 6.225 -15.312 1.00 34.30 N ATOM 49 CA LEU X 432 11.327 6.024 -15.537 1.00 42.04 C ATOM 50 C LEU X 432 10.961 6.299 -16.991 1.00 23.40 C ATOM 51 O LEU X 432 11.654 7.024 -17.705 1.00 3.34 O ATOM 52 CB LEU X 432 10.512 6.930 -14.613 1.00 52.42 C ATOM 53 CG LEU X 432 10.314 6.428 -13.182 1.00 51.24 C ATOM 54 CD1 LEU X 432 11.478 6.855 -12.301 1.00 52.35 C ATOM 55 CD2 LEU X 432 8.999 6.938 -12.615 1.00 24.45 C ATOM 0 H LEU X 432 12.992 7.123 -14.890 1.00 34.30 H new ATOM 0 HA LEU X 432 11.092 4.983 -15.314 1.00 42.04 H new ATOM 0 HB2 LEU X 432 10.999 7.904 -14.571 1.00 52.42 H new ATOM 0 HB3 LEU X 432 9.531 7.084 -15.062 1.00 52.42 H new ATOM 0 HG LEU X 432 10.280 5.339 -13.201 1.00 51.24 H new ATOM 0 HD11 LEU X 432 11.320 6.489 -11.287 1.00 52.35 H new ATOM 0 HD12 LEU X 432 12.405 6.440 -12.696 1.00 52.35 H new ATOM 0 HD13 LEU X 432 11.544 7.943 -12.288 1.00 52.35 H new ATOM 0 HD21 LEU X 432 8.875 6.571 -11.596 1.00 24.45 H new ATOM 0 HD22 LEU X 432 9.003 8.028 -12.610 1.00 24.45 H new ATOM 0 HD23 LEU X 432 8.174 6.581 -13.232 1.00 24.45 H new ATOM 66 N PRO X 433 9.844 5.709 -17.442 1.00 12.24 N ATOM 67 CA PRO X 433 9.358 5.878 -18.816 1.00 22.13 C ATOM 68 C PRO X 433 8.837 7.287 -19.076 1.00 60.12 C ATOM 69 O PRO X 433 9.065 7.856 -20.143 1.00 4.12 O ATOM 70 CB PRO X 433 8.221 4.859 -18.917 1.00 11.51 C ATOM 71 CG PRO X 433 7.751 4.674 -17.515 1.00 5.40 C ATOM 72 CD PRO X 433 8.968 4.832 -16.647 1.00 52.10 C ATOM 0 HA PRO X 433 10.149 5.728 -19.551 1.00 22.13 H new ATOM 0 HB2 PRO X 433 7.419 5.224 -19.558 1.00 11.51 H new ATOM 0 HB3 PRO X 433 8.569 3.919 -19.345 1.00 11.51 H new ATOM 0 HG2 PRO X 433 6.990 5.411 -17.258 1.00 5.40 H new ATOM 0 HG3 PRO X 433 7.301 3.690 -17.381 1.00 5.40 H new ATOM 0 HD2 PRO X 433 8.719 5.279 -15.684 1.00 52.10 H new ATOM 0 HD3 PRO X 433 9.441 3.872 -16.440 1.00 52.10 H new ATOM 77 N GLU X 434 8.135 7.845 -18.094 1.00 43.15 N ATOM 78 CA GLU X 434 7.581 9.188 -18.219 1.00 43.22 C ATOM 79 C GLU X 434 6.985 9.656 -16.895 1.00 63.42 C ATOM 80 O GLU X 434 6.263 8.913 -16.229 1.00 44.34 O ATOM 81 CB GLU X 434 6.512 9.223 -19.313 1.00 71.33 C ATOM 82 CG GLU X 434 6.387 10.572 -19.999 1.00 34.22 C ATOM 83 CD GLU X 434 5.720 10.476 -21.358 1.00 41.40 C ATOM 84 OE1 GLU X 434 6.417 10.148 -22.340 1.00 4.22 O ATOM 85 OE2 GLU X 434 4.499 10.730 -21.438 1.00 13.12 O ATOM 0 H GLU X 434 7.937 7.388 -17.204 1.00 43.15 H new ATOM 0 HA GLU X 434 8.392 9.864 -18.492 1.00 43.22 H new ATOM 0 HB2 GLU X 434 6.745 8.465 -20.061 1.00 71.33 H new ATOM 0 HB3 GLU X 434 5.549 8.956 -18.877 1.00 71.33 H new ATOM 0 HG2 GLU X 434 5.813 11.247 -19.364 1.00 34.22 H new ATOM 0 HG3 GLU X 434 7.379 11.010 -20.115 1.00 34.22 H new ATOM 90 N LEU X 435 7.293 10.892 -16.519 1.00 33.41 N ATOM 91 CA LEU X 435 6.788 11.461 -15.274 1.00 1.10 C ATOM 92 C LEU X 435 5.298 11.772 -15.381 1.00 42.22 C ATOM 93 O LEU X 435 4.556 11.646 -14.406 1.00 63.41 O ATOM 94 CB LEU X 435 7.562 12.733 -14.921 1.00 71.34 C ATOM 95 CG LEU X 435 9.065 12.565 -14.700 1.00 13.23 C ATOM 96 CD1 LEU X 435 9.732 13.919 -14.515 1.00 51.12 C ATOM 97 CD2 LEU X 435 9.332 11.667 -13.501 1.00 41.23 C ATOM 0 H LEU X 435 7.890 11.520 -17.058 1.00 33.41 H new ATOM 0 HA LEU X 435 6.930 10.725 -14.483 1.00 1.10 H new ATOM 0 HB2 LEU X 435 7.412 13.459 -15.720 1.00 71.34 H new ATOM 0 HB3 LEU X 435 7.128 13.159 -14.017 1.00 71.34 H new ATOM 0 HG LEU X 435 9.492 12.091 -15.584 1.00 13.23 H new ATOM 0 HD11 LEU X 435 10.802 13.779 -14.359 1.00 51.12 H new ATOM 0 HD12 LEU X 435 9.572 14.528 -15.405 1.00 51.12 H new ATOM 0 HD13 LEU X 435 9.301 14.421 -13.649 1.00 51.12 H new ATOM 0 HD21 LEU X 435 10.407 11.559 -13.359 1.00 41.23 H new ATOM 0 HD22 LEU X 435 8.891 12.111 -12.608 1.00 41.23 H new ATOM 0 HD23 LEU X 435 8.889 10.686 -13.675 1.00 41.23 H new ATOM 108 N LEU X 436 4.868 12.176 -16.571 1.00 10.10 N ATOM 109 CA LEU X 436 3.465 12.501 -16.807 1.00 54.32 C ATOM 110 C LEU X 436 2.586 11.264 -16.656 1.00 4.13 C ATOM 111 O LEU X 436 1.515 11.322 -16.050 1.00 23.03 O ATOM 112 CB LEU X 436 3.289 13.100 -18.203 1.00 2.34 C ATOM 113 CG LEU X 436 2.020 13.924 -18.425 1.00 51.35 C ATOM 114 CD1 LEU X 436 2.226 14.933 -19.544 1.00 70.33 C ATOM 115 CD2 LEU X 436 0.840 13.014 -18.735 1.00 70.22 C ATOM 0 H LEU X 436 5.470 12.286 -17.387 1.00 10.10 H new ATOM 0 HA LEU X 436 3.157 13.235 -16.062 1.00 54.32 H new ATOM 0 HB2 LEU X 436 4.151 13.732 -18.416 1.00 2.34 H new ATOM 0 HB3 LEU X 436 3.302 12.287 -18.929 1.00 2.34 H new ATOM 0 HG LEU X 436 1.801 14.470 -17.508 1.00 51.35 H new ATOM 0 HD11 LEU X 436 1.312 15.510 -19.687 1.00 70.33 H new ATOM 0 HD12 LEU X 436 3.042 15.606 -19.281 1.00 70.33 H new ATOM 0 HD13 LEU X 436 2.472 14.408 -20.467 1.00 70.33 H new ATOM 0 HD21 LEU X 436 -0.054 13.618 -18.890 1.00 70.22 H new ATOM 0 HD22 LEU X 436 1.051 12.439 -19.637 1.00 70.22 H new ATOM 0 HD23 LEU X 436 0.677 12.332 -17.900 1.00 70.22 H new ATOM 126 N ARG X 437 3.046 10.146 -17.209 1.00 63.05 N ATOM 127 CA ARG X 437 2.301 8.896 -17.135 1.00 23.32 C ATOM 128 C ARG X 437 2.219 8.396 -15.695 1.00 23.54 C ATOM 129 O ARG X 437 1.219 7.804 -15.288 1.00 42.04 O ATOM 130 CB ARG X 437 2.958 7.833 -18.018 1.00 5.45 C ATOM 131 CG ARG X 437 2.802 8.096 -19.506 1.00 71.01 C ATOM 132 CD ARG X 437 1.440 7.645 -20.010 1.00 12.24 C ATOM 133 NE ARG X 437 1.340 7.726 -21.466 1.00 42.42 N ATOM 134 CZ ARG X 437 0.294 7.288 -22.157 1.00 44.34 C ATOM 135 NH1 ARG X 437 -0.737 6.739 -21.529 1.00 31.32 N ATOM 136 NH2 ARG X 437 0.277 7.398 -23.479 1.00 3.22 N ATOM 0 H ARG X 437 3.931 10.081 -17.713 1.00 63.05 H new ATOM 0 HA ARG X 437 1.289 9.083 -17.495 1.00 23.32 H new ATOM 0 HB2 ARG X 437 4.020 7.778 -17.777 1.00 5.45 H new ATOM 0 HB3 ARG X 437 2.527 6.860 -17.782 1.00 5.45 H new ATOM 0 HG2 ARG X 437 2.931 9.160 -19.704 1.00 71.01 H new ATOM 0 HG3 ARG X 437 3.586 7.573 -20.054 1.00 71.01 H new ATOM 0 HD2 ARG X 437 1.257 6.619 -19.691 1.00 12.24 H new ATOM 0 HD3 ARG X 437 0.664 8.263 -19.558 1.00 12.24 H new ATOM 0 HE ARG X 437 2.117 8.142 -21.980 1.00 42.42 H new ATOM 0 HH11 ARG X 437 -0.728 6.652 -20.513 1.00 31.32 H new ATOM 0 HH12 ARG X 437 -1.539 6.403 -22.062 1.00 31.32 H new ATOM 0 HH21 ARG X 437 1.068 7.819 -23.966 1.00 3.22 H new ATOM 0 HH22 ARG X 437 -0.527 7.061 -24.008 1.00 3.22 H new ATOM 147 N LYS X 438 3.277 8.639 -14.929 1.00 1.54 N ATOM 148 CA LYS X 438 3.325 8.215 -13.535 1.00 61.22 C ATOM 149 C LYS X 438 3.394 9.420 -12.602 1.00 34.03 C ATOM 150 O LYS X 438 4.369 9.597 -11.873 1.00 2.32 O ATOM 151 CB LYS X 438 4.533 7.305 -13.298 1.00 61.01 C ATOM 152 CG LYS X 438 4.334 5.887 -13.804 1.00 54.31 C ATOM 153 CD LYS X 438 4.623 5.780 -15.293 1.00 10.44 C ATOM 154 CE LYS X 438 4.583 4.335 -15.765 1.00 64.13 C ATOM 155 NZ LYS X 438 3.188 3.847 -15.942 1.00 21.52 N ATOM 0 H LYS X 438 4.113 9.127 -15.250 1.00 1.54 H new ATOM 0 HA LYS X 438 2.412 7.661 -13.319 1.00 61.22 H new ATOM 0 HB2 LYS X 438 5.405 7.738 -13.788 1.00 61.01 H new ATOM 0 HB3 LYS X 438 4.750 7.274 -12.230 1.00 61.01 H new ATOM 0 HG2 LYS X 438 4.988 5.209 -13.256 1.00 54.31 H new ATOM 0 HG3 LYS X 438 3.310 5.570 -13.608 1.00 54.31 H new ATOM 0 HD2 LYS X 438 3.892 6.366 -15.850 1.00 10.44 H new ATOM 0 HD3 LYS X 438 5.603 6.207 -15.506 1.00 10.44 H new ATOM 0 HE2 LYS X 438 5.121 4.246 -16.709 1.00 64.13 H new ATOM 0 HE3 LYS X 438 5.100 3.703 -15.043 1.00 64.13 H new ATOM 0 HZ1 LYS X 438 3.204 2.858 -16.264 1.00 21.52 H new ATOM 0 HZ2 LYS X 438 2.681 3.907 -15.036 1.00 21.52 H new ATOM 0 HZ3 LYS X 438 2.702 4.434 -16.650 1.00 21.52 H new ATOM 165 N ARG X 439 2.352 10.244 -12.630 1.00 54.15 N ATOM 166 CA ARG X 439 2.293 11.431 -11.786 1.00 65.33 C ATOM 167 C ARG X 439 1.270 11.256 -10.668 1.00 4.53 C ATOM 168 O ARG X 439 1.462 11.747 -9.556 1.00 21.20 O ATOM 169 CB ARG X 439 1.942 12.662 -12.624 1.00 74.13 C ATOM 170 CG ARG X 439 0.554 12.601 -13.243 1.00 71.52 C ATOM 171 CD ARG X 439 0.339 13.730 -14.238 1.00 62.55 C ATOM 172 NE ARG X 439 0.474 15.044 -13.615 1.00 43.02 N ATOM 173 CZ ARG X 439 0.233 16.186 -14.249 1.00 12.42 C ATOM 174 NH1 ARG X 439 -0.153 16.176 -15.517 1.00 31.31 N ATOM 175 NH2 ARG X 439 0.378 17.342 -13.613 1.00 4.14 N ATOM 0 H ARG X 439 1.537 10.111 -13.228 1.00 54.15 H new ATOM 0 HA ARG X 439 3.275 11.573 -11.336 1.00 65.33 H new ATOM 0 HB2 ARG X 439 2.012 13.551 -11.997 1.00 74.13 H new ATOM 0 HB3 ARG X 439 2.680 12.773 -13.418 1.00 74.13 H new ATOM 0 HG2 ARG X 439 0.419 11.642 -13.744 1.00 71.52 H new ATOM 0 HG3 ARG X 439 -0.199 12.659 -12.457 1.00 71.52 H new ATOM 0 HD2 ARG X 439 1.060 13.639 -15.051 1.00 62.55 H new ATOM 0 HD3 ARG X 439 -0.653 13.639 -14.680 1.00 62.55 H new ATOM 0 HE ARG X 439 0.770 15.087 -12.640 1.00 43.02 H new ATOM 0 HH11 ARG X 439 -0.266 15.290 -16.009 1.00 31.31 H new ATOM 0 HH12 ARG X 439 -0.337 17.055 -16.001 1.00 31.31 H new ATOM 0 HH21 ARG X 439 0.675 17.353 -12.637 1.00 4.14 H new ATOM 0 HH22 ARG X 439 0.193 18.219 -14.100 1.00 4.14 H new ATOM 186 N GLU X 440 0.184 10.551 -10.973 1.00 74.00 N ATOM 187 CA GLU X 440 -0.870 10.313 -9.993 1.00 14.10 C ATOM 188 C GLU X 440 -1.836 9.239 -10.485 1.00 65.23 C ATOM 189 O GLU X 440 -2.208 9.215 -11.659 1.00 11.23 O ATOM 190 CB GLU X 440 -1.632 11.608 -9.705 1.00 61.52 C ATOM 191 CG GLU X 440 -2.340 11.611 -8.361 1.00 31.02 C ATOM 192 CD GLU X 440 -3.601 10.767 -8.364 1.00 2.42 C ATOM 193 OE1 GLU X 440 -4.396 10.891 -9.319 1.00 1.35 O ATOM 194 OE2 GLU X 440 -3.792 9.981 -7.411 1.00 62.25 O ATOM 0 H GLU X 440 0.012 10.136 -11.889 1.00 74.00 H new ATOM 0 HA GLU X 440 -0.403 9.964 -9.072 1.00 14.10 H new ATOM 0 HB2 GLU X 440 -0.935 12.445 -9.741 1.00 61.52 H new ATOM 0 HB3 GLU X 440 -2.367 11.770 -10.494 1.00 61.52 H new ATOM 0 HG2 GLU X 440 -1.660 11.238 -7.595 1.00 31.02 H new ATOM 0 HG3 GLU X 440 -2.594 12.636 -8.090 1.00 31.02 H new ATOM 199 N ARG X 441 -2.238 8.353 -9.580 1.00 64.13 N ATOM 200 CA ARG X 441 -3.160 7.276 -9.921 1.00 54.45 C ATOM 201 C ARG X 441 -4.607 7.714 -9.715 1.00 4.51 C ATOM 202 O ARG X 441 -5.148 7.608 -8.615 1.00 2.02 O ATOM 203 CB ARG X 441 -2.865 6.037 -9.075 1.00 52.24 C ATOM 204 CG ARG X 441 -3.405 4.748 -9.674 1.00 11.15 C ATOM 205 CD ARG X 441 -3.153 3.560 -8.759 1.00 0.01 C ATOM 206 NE ARG X 441 -3.660 2.314 -9.326 1.00 15.32 N ATOM 207 CZ ARG X 441 -3.376 1.113 -8.835 1.00 50.33 C ATOM 208 NH1 ARG X 441 -2.594 0.996 -7.772 1.00 12.34 N ATOM 209 NH2 ARG X 441 -3.877 0.026 -9.407 1.00 45.05 N ATOM 0 H ARG X 441 -1.940 8.360 -8.605 1.00 64.13 H new ATOM 0 HA ARG X 441 -3.019 7.030 -10.974 1.00 54.45 H new ATOM 0 HB2 ARG X 441 -1.787 5.944 -8.946 1.00 52.24 H new ATOM 0 HB3 ARG X 441 -3.294 6.174 -8.083 1.00 52.24 H new ATOM 0 HG2 ARG X 441 -4.475 4.850 -9.854 1.00 11.15 H new ATOM 0 HG3 ARG X 441 -2.935 4.570 -10.641 1.00 11.15 H new ATOM 0 HD2 ARG X 441 -2.083 3.465 -8.575 1.00 0.01 H new ATOM 0 HD3 ARG X 441 -3.628 3.739 -7.794 1.00 0.01 H new ATOM 0 HE ARG X 441 -4.266 2.369 -10.145 1.00 15.32 H new ATOM 0 HH11 ARG X 441 -2.208 1.830 -7.328 1.00 12.34 H new ATOM 0 HH12 ARG X 441 -2.378 0.072 -7.397 1.00 12.34 H new ATOM 0 HH21 ARG X 441 -4.481 0.112 -10.225 1.00 45.05 H new ATOM 0 HH22 ARG X 441 -3.658 -0.896 -9.029 1.00 45.05 H new ATOM 220 N LYS X 442 -5.228 8.206 -10.782 1.00 45.10 N ATOM 221 CA LYS X 442 -6.613 8.659 -10.720 1.00 20.53 C ATOM 222 C LYS X 442 -7.569 7.543 -11.130 1.00 51.34 C ATOM 223 O LYS X 442 -8.663 7.414 -10.578 1.00 64.12 O ATOM 224 CB LYS X 442 -6.814 9.876 -11.626 1.00 73.40 C ATOM 225 CG LYS X 442 -6.630 9.572 -13.102 1.00 3.44 C ATOM 226 CD LYS X 442 -6.633 10.842 -13.938 1.00 34.11 C ATOM 227 CE LYS X 442 -7.972 11.558 -13.857 1.00 72.14 C ATOM 228 NZ LYS X 442 -8.042 12.710 -14.799 1.00 14.41 N ATOM 0 H LYS X 442 -4.794 8.301 -11.700 1.00 45.10 H new ATOM 0 HA LYS X 442 -6.832 8.941 -9.690 1.00 20.53 H new ATOM 0 HB2 LYS X 442 -7.816 10.275 -11.468 1.00 73.40 H new ATOM 0 HB3 LYS X 442 -6.111 10.656 -11.334 1.00 73.40 H new ATOM 0 HG2 LYS X 442 -5.690 9.040 -13.250 1.00 3.44 H new ATOM 0 HG3 LYS X 442 -7.428 8.911 -13.440 1.00 3.44 H new ATOM 0 HD2 LYS X 442 -5.842 11.508 -13.594 1.00 34.11 H new ATOM 0 HD3 LYS X 442 -6.413 10.596 -14.977 1.00 34.11 H new ATOM 0 HE2 LYS X 442 -8.774 10.855 -14.082 1.00 72.14 H new ATOM 0 HE3 LYS X 442 -8.134 11.911 -12.839 1.00 72.14 H new ATOM 0 HZ1 LYS X 442 -8.970 13.172 -14.714 1.00 14.41 H new ATOM 0 HZ2 LYS X 442 -7.293 13.393 -14.568 1.00 14.41 H new ATOM 0 HZ3 LYS X 442 -7.913 12.370 -15.773 1.00 14.41 H new ATOM 238 N THR X 443 -7.151 6.738 -12.102 1.00 63.21 N ATOM 239 CA THR X 443 -7.970 5.634 -12.585 1.00 54.10 C ATOM 240 C THR X 443 -8.440 4.754 -11.433 1.00 60.12 C ATOM 241 O THR X 443 -7.671 4.436 -10.528 1.00 33.34 O ATOM 242 CB THR X 443 -7.201 4.766 -13.599 1.00 42.20 C ATOM 243 OG1 THR X 443 -7.939 3.572 -13.882 1.00 34.22 O ATOM 244 CG2 THR X 443 -5.823 4.402 -13.064 1.00 15.03 C ATOM 0 H THR X 443 -6.249 6.830 -12.570 1.00 63.21 H new ATOM 0 HA THR X 443 -8.836 6.075 -13.079 1.00 54.10 H new ATOM 0 HB THR X 443 -7.077 5.342 -14.516 1.00 42.20 H new ATOM 0 HG1 THR X 443 -7.444 3.027 -14.529 1.00 34.22 H new ATOM 0 HG21 THR X 443 -5.298 3.789 -13.797 1.00 15.03 H new ATOM 0 HG22 THR X 443 -5.253 5.312 -12.878 1.00 15.03 H new ATOM 0 HG23 THR X 443 -5.930 3.844 -12.134 1.00 15.03 H new ATOM 252 N GLY X 444 -9.710 4.361 -11.475 1.00 13.44 N ATOM 253 CA GLY X 444 -10.262 3.520 -10.429 1.00 40.13 C ATOM 254 C GLY X 444 -10.593 4.300 -9.172 1.00 0.11 C ATOM 255 O GLY X 444 -10.168 5.444 -9.013 1.00 20.11 O ATOM 0 H GLY X 444 -10.366 4.610 -12.215 1.00 13.44 H new ATOM 0 HA2 GLY X 444 -11.164 3.032 -10.798 1.00 40.13 H new ATOM 0 HA3 GLY X 444 -9.549 2.732 -10.187 1.00 40.13 H new ATOM 259 N ASP X 445 -11.354 3.680 -8.276 1.00 33.42 N ATOM 260 CA ASP X 445 -11.742 4.325 -7.027 1.00 63.12 C ATOM 261 C ASP X 445 -10.899 3.809 -5.865 1.00 60.55 C ATOM 262 O ASP X 445 -11.373 3.721 -4.731 1.00 54.13 O ATOM 263 CB ASP X 445 -13.226 4.083 -6.744 1.00 22.50 C ATOM 264 CG ASP X 445 -14.117 4.567 -7.871 1.00 62.43 C ATOM 265 OD1 ASP X 445 -14.224 3.854 -8.890 1.00 43.22 O ATOM 266 OD2 ASP X 445 -14.707 5.659 -7.733 1.00 53.12 O ATOM 0 H ASP X 445 -11.714 2.733 -8.391 1.00 33.42 H new ATOM 0 HA ASP X 445 -11.569 5.396 -7.130 1.00 63.12 H new ATOM 0 HB2 ASP X 445 -13.393 3.018 -6.584 1.00 22.50 H new ATOM 0 HB3 ASP X 445 -13.504 4.591 -5.821 1.00 22.50 H new ATOM 270 N LEU X 446 -9.649 3.466 -6.154 1.00 61.11 N ATOM 271 CA LEU X 446 -8.739 2.958 -5.133 1.00 30.24 C ATOM 272 C LEU X 446 -8.182 4.096 -4.284 1.00 5.04 C ATOM 273 O LEU X 446 -8.184 5.260 -4.683 1.00 32.22 O ATOM 274 CB LEU X 446 -7.591 2.184 -5.785 1.00 51.31 C ATOM 275 CG LEU X 446 -7.873 0.718 -6.118 1.00 63.14 C ATOM 276 CD1 LEU X 446 -7.273 0.354 -7.466 1.00 35.14 C ATOM 277 CD2 LEU X 446 -7.328 -0.190 -5.025 1.00 71.04 C ATOM 0 H LEU X 446 -9.242 3.530 -7.087 1.00 61.11 H new ATOM 0 HA LEU X 446 -9.300 2.286 -4.483 1.00 30.24 H new ATOM 0 HB2 LEU X 446 -7.310 2.697 -6.705 1.00 51.31 H new ATOM 0 HB3 LEU X 446 -6.728 2.225 -5.120 1.00 51.31 H new ATOM 0 HG LEU X 446 -8.952 0.577 -6.174 1.00 63.14 H new ATOM 0 HD11 LEU X 446 -7.483 -0.692 -7.687 1.00 35.14 H new ATOM 0 HD12 LEU X 446 -7.710 0.984 -8.241 1.00 35.14 H new ATOM 0 HD13 LEU X 446 -6.195 0.510 -7.438 1.00 35.14 H new ATOM 0 HD21 LEU X 446 -7.537 -1.229 -5.278 1.00 71.04 H new ATOM 0 HD22 LEU X 446 -6.251 -0.048 -4.937 1.00 71.04 H new ATOM 0 HD23 LEU X 446 -7.805 0.056 -4.076 1.00 71.04 H new ATOM 288 N PRO X 447 -7.693 3.753 -3.083 1.00 40.52 N ATOM 289 CA PRO X 447 -7.121 4.732 -2.153 1.00 65.30 C ATOM 290 C PRO X 447 -5.792 5.291 -2.644 1.00 43.30 C ATOM 291 O PRO X 447 -4.786 4.582 -2.688 1.00 40.53 O ATOM 292 CB PRO X 447 -6.920 3.924 -0.868 1.00 62.33 C ATOM 293 CG PRO X 447 -6.783 2.513 -1.325 1.00 3.31 C ATOM 294 CD PRO X 447 -7.658 2.385 -2.541 1.00 33.20 C ATOM 0 HA PRO X 447 -7.766 5.602 -2.030 1.00 65.30 H new ATOM 0 HB2 PRO X 447 -6.032 4.253 -0.328 1.00 62.33 H new ATOM 0 HB3 PRO X 447 -7.766 4.040 -0.191 1.00 62.33 H new ATOM 0 HG2 PRO X 447 -5.746 2.279 -1.564 1.00 3.31 H new ATOM 0 HG3 PRO X 447 -7.095 1.818 -0.545 1.00 3.31 H new ATOM 0 HD2 PRO X 447 -7.245 1.678 -3.261 1.00 33.20 H new ATOM 0 HD3 PRO X 447 -8.656 2.030 -2.282 1.00 33.20 H new ATOM 299 N LYS X 448 -5.792 6.567 -3.014 1.00 14.21 N ATOM 300 CA LYS X 448 -4.585 7.224 -3.502 1.00 62.00 C ATOM 301 C LYS X 448 -3.741 7.743 -2.342 1.00 31.12 C ATOM 302 O LYS X 448 -2.513 7.780 -2.423 1.00 10.44 O ATOM 303 CB LYS X 448 -4.950 8.378 -4.438 1.00 73.50 C ATOM 304 CG LYS X 448 -5.680 9.515 -3.744 1.00 53.42 C ATOM 305 CD LYS X 448 -6.323 10.459 -4.747 1.00 4.51 C ATOM 306 CE LYS X 448 -6.969 11.650 -4.057 1.00 53.54 C ATOM 307 NZ LYS X 448 -5.960 12.657 -3.627 1.00 73.14 N ATOM 0 H LYS X 448 -6.616 7.168 -2.985 1.00 14.21 H new ATOM 0 HA LYS X 448 -3.999 6.489 -4.054 1.00 62.00 H new ATOM 0 HB2 LYS X 448 -4.040 8.767 -4.894 1.00 73.50 H new ATOM 0 HB3 LYS X 448 -5.574 7.996 -5.246 1.00 73.50 H new ATOM 0 HG2 LYS X 448 -6.446 9.108 -3.084 1.00 53.42 H new ATOM 0 HG3 LYS X 448 -4.981 10.069 -3.118 1.00 53.42 H new ATOM 0 HD2 LYS X 448 -5.570 10.810 -5.452 1.00 4.51 H new ATOM 0 HD3 LYS X 448 -7.074 9.921 -5.325 1.00 4.51 H new ATOM 0 HE2 LYS X 448 -7.683 12.118 -4.734 1.00 53.54 H new ATOM 0 HE3 LYS X 448 -7.531 11.306 -3.189 1.00 53.54 H new ATOM 0 HZ1 LYS X 448 -6.441 13.453 -3.161 1.00 73.14 H new ATOM 0 HZ2 LYS X 448 -5.293 12.218 -2.961 1.00 73.14 H new ATOM 0 HZ3 LYS X 448 -5.441 13.005 -4.458 1.00 73.14 H new ATOM 317 N PHE X 449 -4.407 8.142 -1.263 1.00 32.03 N ATOM 318 CA PHE X 449 -3.719 8.657 -0.087 1.00 42.40 C ATOM 319 C PHE X 449 -2.947 7.548 0.622 1.00 34.02 C ATOM 320 O PHE X 449 -1.880 7.785 1.190 1.00 50.33 O ATOM 321 CB PHE X 449 -4.721 9.295 0.879 1.00 23.45 C ATOM 322 CG PHE X 449 -4.129 10.384 1.725 1.00 70.52 C ATOM 323 CD1 PHE X 449 -3.895 11.642 1.194 1.00 0.32 C ATOM 324 CD2 PHE X 449 -3.805 10.150 3.052 1.00 43.20 C ATOM 325 CE1 PHE X 449 -3.350 12.648 1.971 1.00 14.43 C ATOM 326 CE2 PHE X 449 -3.260 11.151 3.833 1.00 54.21 C ATOM 327 CZ PHE X 449 -3.031 12.402 3.292 1.00 51.14 C ATOM 0 H PHE X 449 -5.423 8.118 -1.180 1.00 32.03 H new ATOM 0 HA PHE X 449 -3.009 9.416 -0.416 1.00 42.40 H new ATOM 0 HB2 PHE X 449 -5.555 9.703 0.308 1.00 23.45 H new ATOM 0 HB3 PHE X 449 -5.129 8.522 1.530 1.00 23.45 H new ATOM 0 HD1 PHE X 449 -4.141 11.839 0.161 1.00 0.32 H new ATOM 0 HD2 PHE X 449 -3.980 9.174 3.480 1.00 43.20 H new ATOM 0 HE1 PHE X 449 -3.174 13.625 1.545 1.00 14.43 H new ATOM 0 HE2 PHE X 449 -3.013 10.956 4.866 1.00 54.21 H new ATOM 0 HZ PHE X 449 -2.604 13.185 3.901 1.00 51.14 H new ATOM 336 N ILE X 450 -3.495 6.338 0.586 1.00 25.32 N ATOM 337 CA ILE X 450 -2.859 5.193 1.223 1.00 11.31 C ATOM 338 C ILE X 450 -1.717 4.652 0.369 1.00 33.23 C ATOM 339 O ILE X 450 -0.633 4.363 0.876 1.00 25.32 O ATOM 340 CB ILE X 450 -3.869 4.060 1.485 1.00 11.41 C ATOM 341 CG1 ILE X 450 -5.140 4.621 2.125 1.00 44.32 C ATOM 342 CG2 ILE X 450 -3.249 2.992 2.372 1.00 35.30 C ATOM 343 CD1 ILE X 450 -6.198 3.571 2.386 1.00 52.51 C ATOM 0 H ILE X 450 -4.378 6.126 0.122 1.00 25.32 H new ATOM 0 HA ILE X 450 -2.463 5.543 2.176 1.00 11.31 H new ATOM 0 HB ILE X 450 -4.135 3.602 0.532 1.00 11.41 H new ATOM 0 HG12 ILE X 450 -4.880 5.105 3.066 1.00 44.32 H new ATOM 0 HG13 ILE X 450 -5.556 5.391 1.475 1.00 44.32 H new ATOM 0 HG21 ILE X 450 -3.975 2.198 2.548 1.00 35.30 H new ATOM 0 HG22 ILE X 450 -2.369 2.576 1.880 1.00 35.30 H new ATOM 0 HG23 ILE X 450 -2.957 3.434 3.325 1.00 35.30 H new ATOM 0 HD11 ILE X 450 -7.071 4.039 2.841 1.00 52.51 H new ATOM 0 HD12 ILE X 450 -6.486 3.103 1.445 1.00 52.51 H new ATOM 0 HD13 ILE X 450 -5.800 2.813 3.061 1.00 52.51 H new ATOM 354 N GLU X 451 -1.967 4.521 -0.930 1.00 1.30 N ATOM 355 CA GLU X 451 -0.958 4.016 -1.854 1.00 54.42 C ATOM 356 C GLU X 451 0.188 5.011 -2.005 1.00 44.11 C ATOM 357 O GLU X 451 1.332 4.624 -2.240 1.00 31.34 O ATOM 358 CB GLU X 451 -1.585 3.731 -3.220 1.00 73.44 C ATOM 359 CG GLU X 451 -1.796 4.976 -4.065 1.00 32.04 C ATOM 360 CD GLU X 451 -0.603 5.292 -4.946 1.00 20.32 C ATOM 361 OE1 GLU X 451 0.012 4.342 -5.475 1.00 4.44 O ATOM 362 OE2 GLU X 451 -0.284 6.489 -5.109 1.00 72.52 O ATOM 0 H GLU X 451 -2.858 4.757 -1.366 1.00 1.30 H new ATOM 0 HA GLU X 451 -0.558 3.088 -1.445 1.00 54.42 H new ATOM 0 HB2 GLU X 451 -0.947 3.036 -3.765 1.00 73.44 H new ATOM 0 HB3 GLU X 451 -2.544 3.235 -3.074 1.00 73.44 H new ATOM 0 HG2 GLU X 451 -2.679 4.841 -4.690 1.00 32.04 H new ATOM 0 HG3 GLU X 451 -1.995 5.825 -3.411 1.00 32.04 H new ATOM 367 N GLU X 452 -0.129 6.295 -1.870 1.00 43.54 N ATOM 368 CA GLU X 452 0.875 7.346 -1.993 1.00 75.14 C ATOM 369 C GLU X 452 1.750 7.411 -0.744 1.00 10.33 C ATOM 370 O GLU X 452 2.973 7.531 -0.834 1.00 62.14 O ATOM 371 CB GLU X 452 0.201 8.700 -2.228 1.00 22.31 C ATOM 372 CG GLU X 452 1.183 9.838 -2.450 1.00 64.41 C ATOM 373 CD GLU X 452 0.512 11.096 -2.968 1.00 35.14 C ATOM 374 OE1 GLU X 452 -0.109 11.813 -2.155 1.00 10.14 O ATOM 375 OE2 GLU X 452 0.607 11.361 -4.184 1.00 42.21 O ATOM 0 H GLU X 452 -1.072 6.632 -1.676 1.00 43.54 H new ATOM 0 HA GLU X 452 1.509 7.110 -2.848 1.00 75.14 H new ATOM 0 HB2 GLU X 452 -0.456 8.624 -3.094 1.00 22.31 H new ATOM 0 HB3 GLU X 452 -0.429 8.937 -1.370 1.00 22.31 H new ATOM 0 HG2 GLU X 452 1.692 10.062 -1.512 1.00 64.41 H new ATOM 0 HG3 GLU X 452 1.947 9.520 -3.159 1.00 64.41 H new ATOM 380 N THR X 453 1.115 7.334 0.422 1.00 42.14 N ATOM 381 CA THR X 453 1.833 7.385 1.688 1.00 1.30 C ATOM 382 C THR X 453 2.624 6.104 1.925 1.00 30.24 C ATOM 383 O THR X 453 3.698 6.129 2.527 1.00 13.44 O ATOM 384 CB THR X 453 0.872 7.608 2.871 1.00 5.33 C ATOM 385 OG1 THR X 453 1.617 7.883 4.062 1.00 45.05 O ATOM 386 CG2 THR X 453 -0.010 6.388 3.088 1.00 64.03 C ATOM 0 H THR X 453 0.104 7.236 0.515 1.00 42.14 H new ATOM 0 HA THR X 453 2.522 8.227 1.626 1.00 1.30 H new ATOM 0 HB THR X 453 0.234 8.461 2.638 1.00 5.33 H new ATOM 0 HG1 THR X 453 0.999 8.025 4.809 1.00 45.05 H new ATOM 0 HG21 THR X 453 -0.680 6.568 3.928 1.00 64.03 H new ATOM 0 HG22 THR X 453 -0.597 6.199 2.189 1.00 64.03 H new ATOM 0 HG23 THR X 453 0.615 5.521 3.302 1.00 64.03 H new ATOM 394 N GLU X 454 2.088 4.986 1.446 1.00 61.44 N ATOM 395 CA GLU X 454 2.745 3.694 1.606 1.00 4.33 C ATOM 396 C GLU X 454 3.967 3.589 0.699 1.00 54.22 C ATOM 397 O GLU X 454 5.056 3.226 1.144 1.00 33.03 O ATOM 398 CB GLU X 454 1.768 2.558 1.298 1.00 4.25 C ATOM 399 CG GLU X 454 2.364 1.174 1.490 1.00 54.45 C ATOM 400 CD GLU X 454 2.520 0.804 2.953 1.00 73.14 C ATOM 401 OE1 GLU X 454 1.568 0.233 3.525 1.00 32.21 O ATOM 402 OE2 GLU X 454 3.594 1.086 3.525 1.00 25.31 O ATOM 0 H GLU X 454 1.201 4.949 0.944 1.00 61.44 H new ATOM 0 HA GLU X 454 3.074 3.609 2.642 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.892 2.659 1.939 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.423 2.656 0.269 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.728 0.437 0.999 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.338 1.131 1.002 1.00 54.45 H new ATOM 407 N LYS X 455 3.778 3.909 -0.577 1.00 25.33 N ATOM 408 CA LYS X 455 4.863 3.851 -1.550 1.00 0.54 C ATOM 409 C LYS X 455 5.951 4.865 -1.211 1.00 62.42 C ATOM 410 O LYS X 455 7.142 4.558 -1.270 1.00 21.12 O ATOM 411 CB LYS X 455 4.327 4.114 -2.959 1.00 34.23 C ATOM 412 CG LYS X 455 5.389 4.019 -4.041 1.00 13.52 C ATOM 413 CD LYS X 455 5.726 5.386 -4.612 1.00 51.32 C ATOM 414 CE LYS X 455 6.970 5.971 -3.962 1.00 3.43 C ATOM 415 NZ LYS X 455 7.804 6.724 -4.939 1.00 10.05 N ATOM 0 H LYS X 455 2.883 4.211 -0.962 1.00 25.33 H new ATOM 0 HA LYS X 455 5.297 2.852 -1.514 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.534 3.399 -3.176 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.878 5.107 -2.988 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.290 3.563 -3.629 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.038 3.366 -4.840 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.881 5.304 -5.688 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.884 6.062 -4.462 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.677 6.634 -3.148 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.562 5.168 -3.522 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.481 7.325 -4.427 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.323 6.054 -5.542 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.191 7.320 -5.532 1.00 10.05 H new ATOM 425 N LYS X 456 5.535 6.076 -0.854 1.00 23.55 N ATOM 426 CA LYS X 456 6.473 7.136 -0.503 1.00 51.54 C ATOM 427 C LYS X 456 7.286 6.755 0.730 1.00 23.14 C ATOM 428 O LYS X 456 8.480 7.048 0.812 1.00 54.11 O ATOM 429 CB LYS X 456 5.722 8.444 -0.247 1.00 65.35 C ATOM 430 CG LYS X 456 5.311 9.168 -1.518 1.00 12.34 C ATOM 431 CD LYS X 456 4.513 10.425 -1.210 1.00 41.13 C ATOM 432 CE LYS X 456 4.218 11.219 -2.473 1.00 35.30 C ATOM 433 NZ LYS X 456 5.461 11.754 -3.094 1.00 61.51 N ATOM 0 H LYS X 456 4.553 6.348 -0.800 1.00 23.55 H new ATOM 0 HA LYS X 456 7.157 7.275 -1.340 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.831 8.232 0.345 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.352 9.104 0.350 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.200 9.431 -2.092 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.715 8.501 -2.141 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.577 10.153 -0.723 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.068 11.048 -0.509 1.00 41.13 H new ATOM 0 HE2 LYS X 456 3.699 10.582 -3.189 1.00 35.30 H new ATOM 0 HE3 LYS X 456 3.547 12.044 -2.235 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 5.215 12.499 -3.777 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 6.075 12.152 -2.355 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 5.962 10.986 -3.584 1.00 61.51 H new ATOM 443 N ARG X 457 6.636 6.099 1.684 1.00 71.11 N ATOM 444 CA ARG X 457 7.300 5.679 2.912 1.00 35.12 C ATOM 445 C ARG X 457 8.350 4.610 2.623 1.00 55.14 C ATOM 446 O ARG X 457 9.496 4.719 3.061 1.00 20.31 O ATOM 447 CB ARG X 457 6.275 5.143 3.914 1.00 21.50 C ATOM 448 CG ARG X 457 5.785 6.189 4.902 1.00 50.23 C ATOM 449 CD ARG X 457 6.345 5.947 6.294 1.00 12.04 C ATOM 450 NE ARG X 457 5.442 6.422 7.338 1.00 20.01 N ATOM 451 CZ ARG X 457 5.674 6.269 8.638 1.00 74.42 C ATOM 452 NH1 ARG X 457 6.776 5.656 9.049 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.804 6.728 9.528 1.00 51.31 N ATOM 0 H ARG X 457 5.649 5.846 1.631 1.00 71.11 H new ATOM 0 HA ARG X 457 7.798 6.548 3.342 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.421 4.743 3.368 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.718 4.314 4.466 1.00 21.50 H new ATOM 0 HG2 ARG X 457 6.078 7.181 4.558 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.696 6.174 4.939 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.528 4.881 6.431 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.307 6.451 6.390 1.00 12.04 H new ATOM 0 HE ARG X 457 4.585 6.898 7.054 1.00 20.01 H new ATOM 0 HH11 ARG X 457 7.447 5.301 8.367 1.00 71.32 H new ATOM 0 HH12 ARG X 457 6.953 5.539 10.047 1.00 71.32 H new ATOM 0 HH21 ARG X 457 3.955 7.199 9.215 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.984 6.610 10.525 1.00 51.31 H new ATOM 464 N ILE X 458 7.951 3.581 1.885 1.00 20.05 N ATOM 465 CA ILE X 458 8.859 2.494 1.538 1.00 63.42 C ATOM 466 C ILE X 458 10.078 3.015 0.785 1.00 45.00 C ATOM 467 O ILE X 458 11.217 2.774 1.185 1.00 10.42 O ATOM 468 CB ILE X 458 8.156 1.427 0.678 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.005 0.789 1.458 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.152 0.367 0.231 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.462 -0.167 2.537 1.00 74.53 C ATOM 0 H ILE X 458 7.006 3.476 1.516 1.00 20.05 H new ATOM 0 HA ILE X 458 9.181 2.040 2.475 1.00 63.42 H new ATOM 0 HB ILE X 458 7.745 1.909 -0.209 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.405 1.577 1.913 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.357 0.256 0.762 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.640 -0.380 -0.376 1.00 21.14 H new ATOM 0 HG22 ILE X 458 9.941 0.834 -0.358 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.589 -0.114 1.106 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.593 -0.581 3.048 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.037 -0.976 2.087 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.086 0.366 3.255 1.00 74.53 H new ATOM 482 N ILE X 459 9.831 3.732 -0.307 1.00 30.41 N ATOM 483 CA ILE X 459 10.909 4.289 -1.114 1.00 14.13 C ATOM 484 C ILE X 459 11.768 5.249 -0.297 1.00 54.12 C ATOM 485 O ILE X 459 12.984 5.307 -0.468 1.00 73.32 O ATOM 486 CB ILE X 459 10.362 5.032 -2.348 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.500 5.370 -3.313 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.627 6.294 -1.924 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.135 5.181 -4.768 1.00 14.20 C ATOM 0 H ILE X 459 8.894 3.940 -0.652 1.00 30.41 H new ATOM 0 HA ILE X 459 11.521 3.450 -1.446 1.00 14.13 H new ATOM 0 HB ILE X 459 9.656 4.380 -2.863 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.804 6.405 -3.155 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.362 4.745 -3.079 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.247 6.808 -2.807 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.795 6.029 -1.272 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.312 6.952 -1.389 1.00 60.12 H new ATOM 0 HD11 ILE X 459 11.989 5.439 -5.394 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.859 4.141 -4.942 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.293 5.826 -5.019 1.00 14.20 H new ATOM 500 N GLU X 460 11.125 5.999 0.592 1.00 70.03 N ATOM 501 CA GLU X 460 11.831 6.956 1.437 1.00 55.24 C ATOM 502 C GLU X 460 12.827 6.245 2.347 1.00 12.02 C ATOM 503 O GLU X 460 14.000 6.611 2.406 1.00 12.20 O ATOM 504 CB GLU X 460 10.836 7.758 2.278 1.00 64.30 C ATOM 505 CG GLU X 460 11.494 8.617 3.345 1.00 23.33 C ATOM 506 CD GLU X 460 10.614 9.767 3.793 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.129 10.518 2.920 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.410 9.917 5.015 1.00 74.02 O ATOM 0 H GLU X 460 10.117 5.963 0.746 1.00 70.03 H new ATOM 0 HA GLU X 460 12.381 7.639 0.789 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.249 8.398 1.619 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.140 7.069 2.756 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.739 7.995 4.206 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.434 9.012 2.959 1.00 23.33 H new ATOM 513 N ALA X 461 12.350 5.227 3.057 1.00 23.10 N ATOM 514 CA ALA X 461 13.199 4.464 3.963 1.00 30.24 C ATOM 515 C ALA X 461 14.361 3.819 3.216 1.00 45.21 C ATOM 516 O ALA X 461 15.505 3.867 3.668 1.00 60.24 O ATOM 517 CB ALA X 461 12.380 3.403 4.685 1.00 43.23 C ATOM 0 H ALA X 461 11.380 4.912 3.022 1.00 23.10 H new ATOM 0 HA ALA X 461 13.613 5.153 4.699 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.026 2.840 5.359 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.588 3.883 5.259 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.939 2.725 3.955 1.00 43.23 H new ATOM 523 N LEU X 462 14.060 3.216 2.071 1.00 41.14 N ATOM 524 CA LEU X 462 15.080 2.560 1.261 1.00 32.12 C ATOM 525 C LEU X 462 16.186 3.540 0.880 1.00 23.05 C ATOM 526 O LEU X 462 17.363 3.292 1.137 1.00 51.52 O ATOM 527 CB LEU X 462 14.452 1.966 -0.002 1.00 22.31 C ATOM 528 CG LEU X 462 13.862 0.562 0.140 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.909 0.266 -1.008 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.972 -0.479 0.196 1.00 72.43 C ATOM 0 H LEU X 462 13.118 3.168 1.683 1.00 41.14 H new ATOM 0 HA LEU X 462 15.519 1.757 1.853 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.664 2.637 -0.342 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.210 1.943 -0.785 1.00 22.31 H new ATOM 0 HG LEU X 462 13.300 0.516 1.073 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.499 -0.737 -0.891 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.097 0.993 -1.003 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.448 0.329 -1.954 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.535 -1.472 0.297 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.560 -0.433 -0.720 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.617 -0.278 1.052 1.00 72.43 H new ATOM 541 N GLU X 463 15.797 4.654 0.267 1.00 4.01 N ATOM 542 CA GLU X 463 16.756 5.672 -0.147 1.00 14.12 C ATOM 543 C GLU X 463 17.589 6.148 1.039 1.00 33.23 C ATOM 544 O GLU X 463 18.799 6.346 0.922 1.00 3.32 O ATOM 545 CB GLU X 463 16.030 6.858 -0.784 1.00 41.55 C ATOM 546 CG GLU X 463 15.162 6.476 -1.972 1.00 22.34 C ATOM 547 CD GLU X 463 15.630 7.113 -3.265 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.781 6.855 -3.673 1.00 21.41 O ATOM 549 OE2 GLU X 463 14.843 7.871 -3.870 1.00 1.41 O ATOM 0 H GLU X 463 14.826 4.874 0.046 1.00 4.01 H new ATOM 0 HA GLU X 463 17.425 5.227 -0.883 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.407 7.339 -0.030 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.767 7.594 -1.105 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.163 5.392 -2.084 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.132 6.775 -1.776 1.00 22.34 H new ATOM 554 N LYS X 464 16.935 6.332 2.179 1.00 23.51 N ATOM 555 CA LYS X 464 17.613 6.785 3.388 1.00 44.12 C ATOM 556 C LYS X 464 18.524 5.695 3.941 1.00 71.21 C ATOM 557 O LYS X 464 19.500 5.978 4.637 1.00 34.14 O ATOM 558 CB LYS X 464 16.590 7.196 4.449 1.00 41.33 C ATOM 559 CG LYS X 464 16.127 8.637 4.322 1.00 1.43 C ATOM 560 CD LYS X 464 14.725 8.824 4.879 1.00 74.45 C ATOM 561 CE LYS X 464 14.235 10.251 4.685 1.00 13.32 C ATOM 562 NZ LYS X 464 14.827 11.182 5.685 1.00 54.43 N ATOM 0 H LYS X 464 15.934 6.174 2.292 1.00 23.51 H new ATOM 0 HA LYS X 464 18.225 7.649 3.129 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.724 6.538 4.381 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.025 7.049 5.437 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.820 9.291 4.852 1.00 1.43 H new ATOM 0 HG3 LYS X 464 16.146 8.935 3.274 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.041 8.133 4.386 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.718 8.577 5.941 1.00 74.45 H new ATOM 0 HE2 LYS X 464 14.489 10.588 3.680 1.00 13.32 H new ATOM 0 HE3 LYS X 464 13.148 10.276 4.765 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.468 12.144 5.519 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 14.564 10.875 6.643 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 15.863 11.178 5.592 1.00 54.43 H new ATOM 572 N THR X 465 18.202 4.443 3.627 1.00 13.11 N ATOM 573 CA THR X 465 18.992 3.310 4.092 1.00 52.11 C ATOM 574 C THR X 465 20.049 2.919 3.067 1.00 75.51 C ATOM 575 O THR X 465 20.847 2.011 3.298 1.00 65.34 O ATOM 576 CB THR X 465 18.101 2.088 4.385 1.00 42.21 C ATOM 577 OG1 THR X 465 17.352 1.736 3.217 1.00 52.14 O ATOM 578 CG2 THR X 465 17.149 2.375 5.536 1.00 61.42 C ATOM 0 H THR X 465 17.399 4.189 3.052 1.00 13.11 H new ATOM 0 HA THR X 465 19.482 3.623 5.014 1.00 52.11 H new ATOM 0 HB THR X 465 18.746 1.256 4.667 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.750 2.166 2.431 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.530 1.497 5.724 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.723 2.613 6.432 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.511 3.220 5.278 1.00 61.42 H new ATOM 586 N GLY X 466 20.053 3.613 1.932 1.00 31.45 N ATOM 587 CA GLY X 466 21.019 3.324 0.888 1.00 73.12 C ATOM 588 C GLY X 466 20.579 2.184 -0.009 1.00 2.02 C ATOM 589 O GLY X 466 21.391 1.350 -0.409 1.00 72.31 O ATOM 0 H GLY X 466 19.404 4.370 1.717 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.175 4.218 0.284 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.978 3.075 1.343 1.00 73.12 H new ATOM 593 N TYR X 467 19.290 2.147 -0.326 1.00 22.12 N ATOM 594 CA TYR X 467 18.743 1.099 -1.179 1.00 42.34 C ATOM 595 C TYR X 467 18.947 -0.277 -0.551 1.00 41.45 C ATOM 596 O TYR X 467 19.522 -1.174 -1.166 1.00 0.12 O ATOM 597 CB TYR X 467 19.396 1.143 -2.561 1.00 12.11 C ATOM 598 CG TYR X 467 19.255 2.478 -3.255 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.001 3.002 -3.550 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.375 3.218 -3.616 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.868 4.222 -4.185 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.251 4.439 -4.249 1.00 24.43 C ATOM 603 CZ TYR X 467 18.996 4.936 -4.533 1.00 42.32 C ATOM 604 OH TYR X 467 18.866 6.152 -5.164 1.00 45.41 O ATOM 0 H TYR X 467 18.604 2.831 -0.005 1.00 22.12 H new ATOM 0 HA TYR X 467 17.673 1.275 -1.285 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.455 0.905 -2.461 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.953 0.369 -3.188 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.116 2.446 -3.278 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.359 2.831 -3.398 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.887 4.614 -4.408 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.132 5.002 -4.520 1.00 24.43 H new ATOM 0 HH TYR X 467 18.055 6.601 -4.846 1.00 45.41 H new ATOM 613 N VAL X 468 18.470 -0.434 0.680 1.00 21.22 N ATOM 614 CA VAL X 468 18.598 -1.700 1.393 1.00 11.54 C ATOM 615 C VAL X 468 17.253 -2.158 1.945 1.00 22.10 C ATOM 616 O VAL X 468 16.632 -1.466 2.751 1.00 25.15 O ATOM 617 CB VAL X 468 19.607 -1.592 2.552 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.826 -2.952 3.198 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.922 -1.008 2.060 1.00 32.52 C ATOM 0 H VAL X 468 17.992 0.299 1.204 1.00 21.22 H new ATOM 0 HA VAL X 468 18.961 -2.434 0.673 1.00 11.54 H new ATOM 0 HB VAL X 468 19.197 -0.920 3.306 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.542 -2.856 4.014 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.879 -3.327 3.587 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.214 -3.649 2.455 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.623 -0.939 2.892 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.339 -1.652 1.286 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.747 -0.014 1.649 1.00 32.52 H new ATOM 629 N LYS X 469 16.808 -3.331 1.506 1.00 2.33 N ATOM 630 CA LYS X 469 15.537 -3.885 1.957 1.00 73.34 C ATOM 631 C LYS X 469 15.582 -4.208 3.447 1.00 0.52 C ATOM 632 O LYS X 469 14.658 -3.882 4.192 1.00 43.22 O ATOM 633 CB LYS X 469 15.195 -5.146 1.161 1.00 64.33 C ATOM 634 CG LYS X 469 16.286 -6.202 1.197 1.00 65.33 C ATOM 635 CD LYS X 469 16.351 -6.981 -0.106 1.00 74.35 C ATOM 636 CE LYS X 469 17.359 -8.119 -0.025 1.00 63.33 C ATOM 637 NZ LYS X 469 17.297 -9.000 -1.224 1.00 50.11 N ATOM 0 H LYS X 469 17.309 -3.916 0.838 1.00 2.33 H new ATOM 0 HA LYS X 469 14.763 -3.136 1.789 1.00 73.34 H new ATOM 0 HB2 LYS X 469 14.273 -5.575 1.554 1.00 64.33 H new ATOM 0 HB3 LYS X 469 15.002 -4.870 0.124 1.00 64.33 H new ATOM 0 HG2 LYS X 469 17.248 -5.726 1.386 1.00 65.33 H new ATOM 0 HG3 LYS X 469 16.102 -6.888 2.024 1.00 65.33 H new ATOM 0 HD2 LYS X 469 15.365 -7.383 -0.341 1.00 74.35 H new ATOM 0 HD3 LYS X 469 16.624 -6.309 -0.920 1.00 74.35 H new ATOM 0 HE2 LYS X 469 18.364 -7.708 0.072 1.00 63.33 H new ATOM 0 HE3 LYS X 469 17.168 -8.710 0.871 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 17.998 -9.762 -1.131 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 16.345 -9.412 -1.303 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 17.504 -8.441 -2.076 1.00 50.11 H new ATOM 647 N SER X 470 16.664 -4.851 3.876 1.00 71.13 N ATOM 648 CA SER X 470 16.828 -5.220 5.277 1.00 51.22 C ATOM 649 C SER X 470 16.695 -3.998 6.180 1.00 51.22 C ATOM 650 O SER X 470 15.919 -4.002 7.137 1.00 14.32 O ATOM 651 CB SER X 470 18.189 -5.883 5.494 1.00 52.44 C ATOM 652 OG SER X 470 18.116 -7.282 5.281 1.00 5.24 O ATOM 0 H SER X 470 17.439 -5.127 3.273 1.00 71.13 H new ATOM 0 HA SER X 470 16.041 -5.928 5.536 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.922 -5.447 4.815 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.536 -5.684 6.508 1.00 52.44 H new ATOM 0 HG SER X 470 18.999 -7.681 5.424 1.00 5.24 H new ATOM 657 N ARG X 471 17.455 -2.954 5.870 1.00 75.24 N ATOM 658 CA ARG X 471 17.423 -1.725 6.653 1.00 11.02 C ATOM 659 C ARG X 471 16.086 -1.010 6.488 1.00 64.24 C ATOM 660 O ARG X 471 15.456 -0.618 7.470 1.00 23.30 O ATOM 661 CB ARG X 471 18.566 -0.797 6.233 1.00 3.34 C ATOM 662 CG ARG X 471 19.943 -1.322 6.601 1.00 74.42 C ATOM 663 CD ARG X 471 21.029 -0.683 5.749 1.00 11.42 C ATOM 664 NE ARG X 471 22.335 -0.730 6.402 1.00 42.13 N ATOM 665 CZ ARG X 471 22.684 0.066 7.406 1.00 73.44 C ATOM 666 NH1 ARG X 471 21.829 0.966 7.872 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.891 -0.038 7.947 1.00 13.40 N ATOM 0 H ARG X 471 18.101 -2.934 5.081 1.00 75.24 H new ATOM 0 HA ARG X 471 17.546 -1.990 7.703 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.521 -0.644 5.155 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.421 0.178 6.699 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.140 -1.122 7.654 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.967 -2.404 6.472 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.085 -1.196 4.789 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.764 0.354 5.542 1.00 11.42 H new ATOM 0 HE ARG X 471 23.016 -1.412 6.068 1.00 42.13 H new ATOM 0 HH11 ARG X 471 20.900 1.048 7.459 1.00 54.24 H new ATOM 0 HH12 ARG X 471 22.100 1.576 8.643 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.551 -0.730 7.592 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.159 0.574 8.718 1.00 13.40 H new ATOM 678 N ALA X 472 15.660 -0.842 5.240 1.00 63.50 N ATOM 679 CA ALA X 472 14.397 -0.175 4.947 1.00 51.02 C ATOM 680 C ALA X 472 13.243 -0.831 5.697 1.00 14.44 C ATOM 681 O ALA X 472 12.337 -0.153 6.177 1.00 62.31 O ATOM 682 CB ALA X 472 14.130 -0.187 3.449 1.00 12.21 C ATOM 0 H ALA X 472 16.171 -1.159 4.416 1.00 63.50 H new ATOM 0 HA ALA X 472 14.473 0.859 5.284 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.184 0.314 3.244 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.936 0.333 2.932 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.079 -1.217 3.097 1.00 12.21 H new ATOM 688 N ALA X 473 13.283 -2.157 5.794 1.00 33.12 N ATOM 689 CA ALA X 473 12.241 -2.904 6.486 1.00 5.31 C ATOM 690 C ALA X 473 12.321 -2.689 7.993 1.00 1.25 C ATOM 691 O ALA X 473 11.332 -2.330 8.633 1.00 50.13 O ATOM 692 CB ALA X 473 12.346 -4.386 6.157 1.00 61.31 C ATOM 0 H ALA X 473 14.026 -2.735 5.402 1.00 33.12 H new ATOM 0 HA ALA X 473 11.275 -2.534 6.143 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.561 -4.932 6.681 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.232 -4.529 5.082 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.320 -4.760 6.472 1.00 61.31 H new ATOM 698 N LYS X 474 13.504 -2.911 8.556 1.00 62.03 N ATOM 699 CA LYS X 474 13.714 -2.741 9.989 1.00 24.40 C ATOM 700 C LYS X 474 13.433 -1.303 10.413 1.00 54.40 C ATOM 701 O LYS X 474 12.982 -1.052 11.532 1.00 74.45 O ATOM 702 CB LYS X 474 15.147 -3.123 10.364 1.00 34.32 C ATOM 703 CG LYS X 474 16.095 -1.939 10.435 1.00 3.21 C ATOM 704 CD LYS X 474 17.546 -2.386 10.476 1.00 54.32 C ATOM 705 CE LYS X 474 18.095 -2.365 11.895 1.00 20.00 C ATOM 706 NZ LYS X 474 19.330 -3.187 12.024 1.00 3.13 N ATOM 0 H LYS X 474 14.333 -3.209 8.041 1.00 62.03 H new ATOM 0 HA LYS X 474 13.020 -3.398 10.513 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.138 -3.629 11.330 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.526 -3.838 9.634 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.937 -1.293 9.571 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.871 -1.346 11.322 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.629 -3.393 10.067 1.00 54.32 H new ATOM 0 HD3 LYS X 474 18.147 -1.734 9.842 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.311 -1.337 12.186 1.00 20.00 H new ATOM 0 HE3 LYS X 474 17.337 -2.738 12.583 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.673 -3.147 13.005 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.118 -4.173 11.771 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 20.062 -2.816 11.386 1.00 3.13 H new ATOM 716 N LEU X 475 13.701 -0.362 9.514 1.00 10.44 N ATOM 717 CA LEU X 475 13.475 1.051 9.794 1.00 74.31 C ATOM 718 C LEU X 475 11.984 1.376 9.789 1.00 24.12 C ATOM 719 O LEU X 475 11.469 1.992 10.723 1.00 74.13 O ATOM 720 CB LEU X 475 14.202 1.918 8.766 1.00 52.05 C ATOM 721 CG LEU X 475 14.599 3.319 9.229 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.661 3.906 8.310 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.380 4.229 9.285 1.00 53.02 C ATOM 0 H LEU X 475 14.075 -0.553 8.585 1.00 10.44 H new ATOM 0 HA LEU X 475 13.871 1.267 10.786 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.103 1.393 8.450 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.565 2.015 7.887 1.00 52.05 H new ATOM 0 HG LEU X 475 15.018 3.242 10.232 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.931 4.904 8.656 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.544 3.267 8.320 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.270 3.968 7.295 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.682 5.222 9.617 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.932 4.298 8.294 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.652 3.819 9.985 1.00 53.02 H new ATOM 734 N LEU X 476 11.297 0.958 8.732 1.00 14.12 N ATOM 735 CA LEU X 476 9.865 1.202 8.605 1.00 2.33 C ATOM 736 C LEU X 476 9.085 0.428 9.663 1.00 41.31 C ATOM 737 O LEU X 476 8.044 0.881 10.137 1.00 65.41 O ATOM 738 CB LEU X 476 9.381 0.807 7.209 1.00 21.22 C ATOM 739 CG LEU X 476 9.762 1.759 6.073 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.844 1.009 4.753 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.761 2.902 5.978 1.00 71.10 C ATOM 0 H LEU X 476 11.709 0.448 7.950 1.00 14.12 H new ATOM 0 HA LEU X 476 9.689 2.267 8.756 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.776 -0.182 6.976 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.295 0.719 7.234 1.00 21.22 H new ATOM 0 HG LEU X 476 10.744 2.179 6.290 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.116 1.702 3.957 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.599 0.226 4.826 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.876 0.561 4.529 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.047 3.569 5.165 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.767 2.500 5.784 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.752 3.456 6.916 1.00 71.10 H new ATOM 752 N GLY X 477 9.597 -0.743 10.029 1.00 45.23 N ATOM 753 CA GLY X 477 8.936 -1.561 11.031 1.00 22.13 C ATOM 754 C GLY X 477 8.284 -2.793 10.435 1.00 61.31 C ATOM 755 O GLY X 477 7.447 -3.431 11.073 1.00 35.21 O ATOM 0 H GLY X 477 10.457 -1.140 9.650 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.663 -1.866 11.784 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.180 -0.965 11.542 1.00 22.13 H new ATOM 759 N TYR X 478 8.668 -3.128 9.208 1.00 41.35 N ATOM 760 CA TYR X 478 8.111 -4.289 8.524 1.00 51.13 C ATOM 761 C TYR X 478 9.183 -5.351 8.295 1.00 65.31 C ATOM 762 O TYR X 478 10.379 -5.063 8.336 1.00 40.51 O ATOM 763 CB TYR X 478 7.496 -3.873 7.187 1.00 71.43 C ATOM 764 CG TYR X 478 6.635 -2.634 7.277 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.780 -2.434 8.354 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.675 -1.663 6.284 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.991 -1.303 8.439 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.891 -0.529 6.361 1.00 51.13 C ATOM 769 CZ TYR X 478 5.050 -0.353 7.441 1.00 63.32 C ATOM 770 OH TYR X 478 4.266 0.775 7.523 1.00 43.33 O ATOM 0 H TYR X 478 9.362 -2.612 8.667 1.00 41.35 H new ATOM 0 HA TYR X 478 7.332 -4.714 9.158 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.296 -3.698 6.467 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.895 -4.696 6.801 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.731 -3.175 9.138 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.331 -1.798 5.437 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.331 -1.164 9.283 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.936 0.216 5.580 1.00 51.13 H new ATOM 0 HH TYR X 478 4.428 1.343 6.741 1.00 43.33 H new ATOM 779 N THR X 479 8.744 -6.583 8.052 1.00 31.11 N ATOM 780 CA THR X 479 9.664 -7.689 7.817 1.00 32.34 C ATOM 781 C THR X 479 10.024 -7.799 6.341 1.00 71.23 C ATOM 782 O THR X 479 9.361 -7.214 5.484 1.00 3.54 O ATOM 783 CB THR X 479 9.064 -9.027 8.289 1.00 31.32 C ATOM 784 OG1 THR X 479 9.982 -10.094 8.027 1.00 41.35 O ATOM 785 CG2 THR X 479 7.742 -9.305 7.588 1.00 33.32 C ATOM 0 H THR X 479 7.757 -6.839 8.013 1.00 31.11 H new ATOM 0 HA THR X 479 10.565 -7.480 8.393 1.00 32.34 H new ATOM 0 HB THR X 479 8.881 -8.960 9.361 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.594 -10.941 8.331 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.338 -10.255 7.937 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.036 -8.505 7.812 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.904 -9.354 6.511 1.00 33.32 H new ATOM 793 N LEU X 480 11.078 -8.552 6.049 1.00 51.22 N ATOM 794 CA LEU X 480 11.529 -8.740 4.673 1.00 73.24 C ATOM 795 C LEU X 480 10.370 -9.161 3.775 1.00 73.11 C ATOM 796 O LEU X 480 10.296 -8.762 2.611 1.00 12.40 O ATOM 797 CB LEU X 480 12.639 -9.790 4.618 1.00 54.35 C ATOM 798 CG LEU X 480 13.304 -9.992 3.256 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.755 -10.416 3.427 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.539 -11.020 2.436 1.00 24.30 C ATOM 0 H LEU X 480 11.637 -9.043 6.746 1.00 51.22 H new ATOM 0 HA LEU X 480 11.920 -7.789 4.311 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.409 -9.514 5.339 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.225 -10.745 4.943 1.00 54.35 H new ATOM 0 HG LEU X 480 13.286 -9.043 2.720 1.00 42.31 H new ATOM 0 HD11 LEU X 480 15.211 -10.555 2.447 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.297 -9.645 3.974 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.797 -11.353 3.983 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.027 -11.151 1.470 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.525 -11.972 2.967 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.516 -10.675 2.282 1.00 24.30 H new ATOM 811 N ARG X 481 9.465 -9.966 4.322 1.00 60.01 N ATOM 812 CA ARG X 481 8.309 -10.439 3.570 1.00 5.23 C ATOM 813 C ARG X 481 7.366 -9.286 3.240 1.00 63.40 C ATOM 814 O ARG X 481 6.971 -9.106 2.088 1.00 34.21 O ATOM 815 CB ARG X 481 7.562 -11.511 4.364 1.00 22.32 C ATOM 816 CG ARG X 481 6.698 -12.417 3.502 1.00 15.42 C ATOM 817 CD ARG X 481 6.113 -13.565 4.310 1.00 33.20 C ATOM 818 NE ARG X 481 4.961 -13.144 5.103 1.00 11.02 N ATOM 819 CZ ARG X 481 4.342 -13.932 5.976 1.00 23.35 C ATOM 820 NH1 ARG X 481 4.764 -15.175 6.167 1.00 64.23 N ATOM 821 NH2 ARG X 481 3.301 -13.477 6.660 1.00 54.34 N ATOM 0 H ARG X 481 9.510 -10.304 5.283 1.00 60.01 H new ATOM 0 HA ARG X 481 8.667 -10.871 2.636 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.286 -12.121 4.905 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.933 -11.026 5.110 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.890 -11.835 3.057 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.294 -12.815 2.681 1.00 15.42 H new ATOM 0 HD2 ARG X 481 5.815 -14.368 3.636 1.00 33.20 H new ATOM 0 HD3 ARG X 481 6.879 -13.971 4.971 1.00 33.20 H new ATOM 0 HE ARG X 481 4.613 -12.193 4.980 1.00 11.02 H new ATOM 0 HH11 ARG X 481 5.565 -15.528 5.643 1.00 64.23 H new ATOM 0 HH12 ARG X 481 4.287 -15.778 6.838 1.00 64.23 H new ATOM 0 HH21 ARG X 481 2.975 -12.521 6.516 1.00 54.34 H new ATOM 0 HH22 ARG X 481 2.827 -14.083 7.330 1.00 54.34 H new ATOM 832 N GLN X 482 7.010 -8.509 4.258 1.00 43.45 N ATOM 833 CA GLN X 482 6.113 -7.375 4.075 1.00 74.43 C ATOM 834 C GLN X 482 6.713 -6.356 3.112 1.00 15.22 C ATOM 835 O GLN X 482 6.090 -5.988 2.114 1.00 24.12 O ATOM 836 CB GLN X 482 5.816 -6.710 5.421 1.00 61.30 C ATOM 837 CG GLN X 482 4.909 -7.534 6.319 1.00 11.44 C ATOM 838 CD GLN X 482 3.656 -8.006 5.609 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.661 -9.036 4.935 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.571 -7.253 5.758 1.00 62.51 N ATOM 0 H GLN X 482 7.329 -8.644 5.217 1.00 43.45 H new ATOM 0 HA GLN X 482 5.181 -7.746 3.648 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.756 -6.524 5.940 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.353 -5.739 5.243 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.460 -8.399 6.689 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.627 -6.939 7.188 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.612 -6.407 6.326 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.698 -7.521 5.304 1.00 62.51 H new ATOM 847 N LEU X 483 7.923 -5.902 3.417 1.00 30.43 N ATOM 848 CA LEU X 483 8.608 -4.925 2.578 1.00 23.25 C ATOM 849 C LEU X 483 8.685 -5.406 1.132 1.00 43.34 C ATOM 850 O LEU X 483 8.305 -4.688 0.207 1.00 12.42 O ATOM 851 CB LEU X 483 10.015 -4.659 3.115 1.00 32.11 C ATOM 852 CG LEU X 483 10.712 -3.406 2.583 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.224 -2.170 3.323 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.222 -3.543 2.705 1.00 65.25 C ATOM 0 H LEU X 483 8.451 -6.195 4.239 1.00 30.43 H new ATOM 0 HA LEU X 483 8.035 -3.998 2.602 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.960 -4.586 4.201 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.639 -5.523 2.885 1.00 32.11 H new ATOM 0 HG LEU X 483 10.463 -3.294 1.528 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.731 -1.288 2.931 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.148 -2.063 3.183 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.443 -2.272 4.386 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.701 -2.642 2.322 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.491 -3.680 3.752 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.557 -4.405 2.129 1.00 65.25 H new ATOM 865 N ASP X 484 9.177 -6.627 0.947 1.00 4.40 N ATOM 866 CA ASP X 484 9.301 -7.206 -0.385 1.00 74.33 C ATOM 867 C ASP X 484 7.969 -7.154 -1.128 1.00 23.13 C ATOM 868 O ASP X 484 7.905 -6.723 -2.279 1.00 2.41 O ATOM 869 CB ASP X 484 9.791 -8.652 -0.293 1.00 53.22 C ATOM 870 CG ASP X 484 10.007 -9.278 -1.656 1.00 43.05 C ATOM 871 OD1 ASP X 484 9.007 -9.666 -2.296 1.00 12.45 O ATOM 872 OD2 ASP X 484 11.176 -9.381 -2.083 1.00 13.14 O ATOM 0 H ASP X 484 9.496 -7.234 1.702 1.00 4.40 H new ATOM 0 HA ASP X 484 10.030 -6.618 -0.942 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.725 -8.681 0.269 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.065 -9.244 0.264 1.00 53.22 H new ATOM 876 N TYR X 485 6.910 -7.596 -0.460 1.00 62.24 N ATOM 877 CA TYR X 485 5.578 -7.602 -1.057 1.00 54.52 C ATOM 878 C TYR X 485 5.173 -6.200 -1.499 1.00 35.33 C ATOM 879 O TYR X 485 4.479 -6.028 -2.502 1.00 43.32 O ATOM 880 CB TYR X 485 4.554 -8.153 -0.065 1.00 42.42 C ATOM 881 CG TYR X 485 3.499 -9.026 -0.705 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.790 -10.325 -1.102 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.210 -8.551 -0.915 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.830 -11.126 -1.687 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.242 -9.345 -1.500 1.00 35.54 C ATOM 886 CZ TYR X 485 1.557 -10.632 -1.884 1.00 72.11 C ATOM 887 OH TYR X 485 0.596 -11.425 -2.468 1.00 32.54 O ATOM 0 H TYR X 485 6.947 -7.955 0.494 1.00 62.24 H new ATOM 0 HA TYR X 485 5.604 -8.246 -1.936 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.075 -8.729 0.700 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.066 -7.320 0.441 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.785 -10.715 -0.950 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.960 -7.544 -0.616 1.00 34.51 H new ATOM 0 HE1 TYR X 485 3.074 -12.134 -1.989 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.245 -8.960 -1.656 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.245 -10.926 -2.532 1.00 32.54 H new ATOM 896 N ARG X 486 5.610 -5.198 -0.742 1.00 30.20 N ATOM 897 CA ARG X 486 5.292 -3.809 -1.054 1.00 23.23 C ATOM 898 C ARG X 486 6.088 -3.328 -2.263 1.00 23.24 C ATOM 899 O ARG X 486 5.561 -2.626 -3.125 1.00 73.10 O ATOM 900 CB ARG X 486 5.584 -2.915 0.152 1.00 32.34 C ATOM 901 CG ARG X 486 4.356 -2.603 0.991 1.00 43.42 C ATOM 902 CD ARG X 486 3.662 -3.874 1.457 1.00 11.40 C ATOM 903 NE ARG X 486 2.460 -4.158 0.678 1.00 15.11 N ATOM 904 CZ ARG X 486 1.350 -3.433 0.749 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.289 -2.385 1.559 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.296 -3.755 0.009 1.00 1.14 N ATOM 0 H ARG X 486 6.185 -5.322 0.091 1.00 30.20 H new ATOM 0 HA ARG X 486 4.230 -3.749 -1.293 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.330 -3.401 0.781 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.022 -1.980 -0.197 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.647 -2.008 1.857 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.660 -2.000 0.409 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.352 -4.714 1.378 1.00 11.40 H new ATOM 0 HD3 ARG X 486 3.397 -3.777 2.510 1.00 11.40 H new ATOM 0 HE ARG X 486 2.474 -4.957 0.044 1.00 15.11 H new ATOM 0 HH11 ARG X 486 2.096 -2.134 2.130 1.00 34.32 H new ATOM 0 HH12 ARG X 486 0.435 -1.830 1.611 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.338 -4.560 -0.615 1.00 1.14 H new ATOM 0 HH22 ARG X 486 -0.556 -3.197 0.065 1.00 1.14 H new ATOM 917 N ILE X 487 7.360 -3.710 -2.318 1.00 12.05 N ATOM 918 CA ILE X 487 8.227 -3.318 -3.422 1.00 10.12 C ATOM 919 C ILE X 487 7.707 -3.860 -4.749 1.00 62.30 C ATOM 920 O ILE X 487 7.741 -3.173 -5.770 1.00 15.43 O ATOM 921 CB ILE X 487 9.669 -3.814 -3.208 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.266 -3.182 -1.948 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.525 -3.494 -4.424 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.258 -1.670 -1.968 1.00 35.13 C ATOM 0 H ILE X 487 7.812 -4.290 -1.611 1.00 12.05 H new ATOM 0 HA ILE X 487 8.226 -2.228 -3.452 1.00 10.12 H new ATOM 0 HB ILE X 487 9.650 -4.896 -3.076 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.708 -3.529 -1.078 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.292 -3.530 -1.828 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.541 -3.851 -4.258 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.107 -3.986 -5.303 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.541 -2.416 -4.584 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.696 -1.292 -1.044 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.841 -1.314 -2.818 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.232 -1.313 -2.056 1.00 35.13 H new ATOM 935 N LYS X 488 7.225 -5.098 -4.728 1.00 1.41 N ATOM 936 CA LYS X 488 6.694 -5.734 -5.929 1.00 43.53 C ATOM 937 C LYS X 488 5.336 -5.147 -6.299 1.00 53.44 C ATOM 938 O LYS X 488 5.031 -4.954 -7.476 1.00 72.22 O ATOM 939 CB LYS X 488 6.571 -7.244 -5.719 1.00 2.51 C ATOM 940 CG LYS X 488 5.691 -7.624 -4.541 1.00 3.34 C ATOM 941 CD LYS X 488 5.611 -9.132 -4.368 1.00 3.43 C ATOM 942 CE LYS X 488 4.971 -9.799 -5.576 1.00 41.43 C ATOM 943 NZ LYS X 488 4.263 -11.055 -5.206 1.00 22.33 N ATOM 0 H LYS X 488 7.191 -5.682 -3.892 1.00 1.41 H new ATOM 0 HA LYS X 488 7.387 -5.544 -6.749 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.167 -7.697 -6.625 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.566 -7.664 -5.569 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.086 -7.173 -3.631 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.689 -7.220 -4.689 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.612 -9.535 -4.216 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.034 -9.366 -3.473 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.267 -9.109 -6.041 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.738 -10.020 -6.318 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.841 -11.479 -6.057 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 4.939 -11.724 -4.785 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.514 -10.841 -4.517 1.00 22.33 H new ATOM 953 N LYS X 489 4.522 -4.867 -5.287 1.00 24.34 N ATOM 954 CA LYS X 489 3.197 -4.300 -5.505 1.00 21.32 C ATOM 955 C LYS X 489 3.295 -2.874 -6.036 1.00 63.33 C ATOM 956 O LYS X 489 2.593 -2.502 -6.977 1.00 53.33 O ATOM 957 CB LYS X 489 2.392 -4.317 -4.203 1.00 54.52 C ATOM 958 CG LYS X 489 1.291 -5.363 -4.183 1.00 54.51 C ATOM 959 CD LYS X 489 1.856 -6.770 -4.276 1.00 14.12 C ATOM 960 CE LYS X 489 1.731 -7.328 -5.685 1.00 62.31 C ATOM 961 NZ LYS X 489 1.615 -8.813 -5.686 1.00 3.10 N ATOM 0 H LYS X 489 4.757 -5.024 -4.307 1.00 24.34 H new ATOM 0 HA LYS X 489 2.686 -4.911 -6.249 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.070 -4.499 -3.369 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.950 -3.333 -4.046 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.710 -5.263 -3.266 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.608 -5.189 -5.014 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.904 -6.763 -3.978 1.00 14.12 H new ATOM 0 HD3 LYS X 489 1.331 -7.421 -3.578 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.856 -6.895 -6.171 1.00 62.31 H new ATOM 0 HE3 LYS X 489 2.601 -7.031 -6.271 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 1.770 -9.173 -6.650 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 2.329 -9.217 -5.047 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 0.665 -9.087 -5.362 1.00 3.10 H new ATOM 971 N TYR X 490 4.170 -2.080 -5.428 1.00 63.10 N ATOM 972 CA TYR X 490 4.359 -0.695 -5.839 1.00 65.13 C ATOM 973 C TYR X 490 5.426 -0.589 -6.924 1.00 43.30 C ATOM 974 O TYR X 490 5.719 0.499 -7.418 1.00 45.35 O ATOM 975 CB TYR X 490 4.750 0.168 -4.638 1.00 31.24 C ATOM 976 CG TYR X 490 3.629 0.363 -3.642 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.519 1.138 -3.959 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.678 -0.227 -2.385 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.493 1.321 -3.052 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.655 -0.052 -1.473 1.00 30.22 C ATOM 981 CZ TYR X 490 1.565 0.723 -1.811 1.00 51.31 C ATOM 982 OH TYR X 490 0.544 0.902 -0.905 1.00 54.23 O ATOM 0 H TYR X 490 4.759 -2.373 -4.649 1.00 63.10 H new ATOM 0 HA TYR X 490 3.415 -0.333 -6.246 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.599 -0.292 -4.132 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.082 1.143 -4.995 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.458 1.605 -4.931 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.531 -0.833 -2.116 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.639 1.929 -3.313 1.00 71.23 H new ATOM 0 HE2 TYR X 490 2.708 -0.519 -0.501 1.00 30.22 H new ATOM 0 HH TYR X 490 0.304 0.039 -0.508 1.00 54.23 H new ATOM 991 N GLY X 491 6.002 -1.729 -7.291 1.00 12.33 N ATOM 992 CA GLY X 491 7.030 -1.745 -8.315 1.00 73.13 C ATOM 993 C GLY X 491 8.133 -0.741 -8.045 1.00 70.25 C ATOM 994 O GLY X 491 8.594 -0.055 -8.957 1.00 25.21 O ATOM 0 H GLY X 491 5.775 -2.642 -6.897 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.460 -2.745 -8.378 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.577 -1.531 -9.283 1.00 73.13 H new ATOM 998 N ILE X 492 8.557 -0.655 -6.789 1.00 33.34 N ATOM 999 CA ILE X 492 9.613 0.273 -6.401 1.00 12.35 C ATOM 1000 C ILE X 492 10.981 -0.235 -6.844 1.00 73.33 C ATOM 1001 O ILE X 492 11.188 -1.439 -6.993 1.00 45.43 O ATOM 1002 CB ILE X 492 9.631 0.501 -4.878 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.212 0.740 -4.359 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.533 1.675 -4.528 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.138 0.917 -2.858 1.00 21.21 C ATOM 0 H ILE X 492 8.186 -1.216 -6.022 1.00 33.34 H new ATOM 0 HA ILE X 492 9.400 1.219 -6.899 1.00 12.35 H new ATOM 0 HB ILE X 492 10.028 -0.393 -4.397 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.802 1.627 -4.842 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.582 -0.101 -4.649 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.535 1.823 -3.448 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.548 1.468 -4.868 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.163 2.576 -5.017 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.102 1.082 -2.562 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.517 0.021 -2.367 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.741 1.776 -2.563 1.00 21.21 H new ATOM 1016 N GLU X 493 11.912 0.691 -7.050 1.00 41.10 N ATOM 1017 CA GLU X 493 13.261 0.337 -7.475 1.00 52.04 C ATOM 1018 C GLU X 493 14.273 0.631 -6.372 1.00 43.33 C ATOM 1019 O GLU X 493 14.037 1.475 -5.505 1.00 63.45 O ATOM 1020 CB GLU X 493 13.637 1.102 -8.745 1.00 63.11 C ATOM 1021 CG GLU X 493 12.834 0.686 -9.966 1.00 11.52 C ATOM 1022 CD GLU X 493 12.831 1.746 -11.052 1.00 74.15 C ATOM 1023 OE1 GLU X 493 12.086 2.737 -10.912 1.00 70.23 O ATOM 1024 OE2 GLU X 493 13.576 1.582 -12.041 1.00 62.13 O ATOM 0 H GLU X 493 11.757 1.692 -6.929 1.00 41.10 H new ATOM 0 HA GLU X 493 13.279 -0.732 -7.686 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.494 2.169 -8.572 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.697 0.952 -8.949 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.245 -0.240 -10.368 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.807 0.475 -9.666 1.00 11.52 H new ATOM 1029 N LEU X 494 15.402 -0.069 -6.410 1.00 43.24 N ATOM 1030 CA LEU X 494 16.451 0.116 -5.416 1.00 63.34 C ATOM 1031 C LEU X 494 17.765 -0.501 -5.887 1.00 40.01 C ATOM 1032 O LEU X 494 17.795 -1.638 -6.357 1.00 44.25 O ATOM 1033 CB LEU X 494 16.033 -0.507 -4.081 1.00 33.12 C ATOM 1034 CG LEU X 494 16.190 -2.024 -3.971 1.00 10.03 C ATOM 1035 CD1 LEU X 494 15.941 -2.482 -2.542 1.00 24.23 C ATOM 1036 CD2 LEU X 494 15.245 -2.730 -4.932 1.00 15.11 C ATOM 0 H LEU X 494 15.613 -0.770 -7.120 1.00 43.24 H new ATOM 0 HA LEU X 494 16.602 1.187 -5.280 1.00 63.34 H new ATOM 0 HB2 LEU X 494 16.618 -0.043 -3.287 1.00 33.12 H new ATOM 0 HB3 LEU X 494 14.989 -0.255 -3.896 1.00 33.12 H new ATOM 0 HG LEU X 494 17.213 -2.286 -4.243 1.00 10.03 H new ATOM 0 HD11 LEU X 494 16.057 -3.564 -2.481 1.00 24.23 H new ATOM 0 HD12 LEU X 494 16.658 -2.002 -1.876 1.00 24.23 H new ATOM 0 HD13 LEU X 494 14.929 -2.208 -2.243 1.00 24.23 H new ATOM 0 HD21 LEU X 494 15.371 -3.809 -4.840 1.00 15.11 H new ATOM 0 HD22 LEU X 494 14.216 -2.463 -4.692 1.00 15.11 H new ATOM 0 HD23 LEU X 494 15.470 -2.425 -5.954 1.00 15.11 H new ATOM 1047 N LYS X 495 18.848 0.257 -5.756 1.00 43.22 N ATOM 1048 CA LYS X 495 20.166 -0.215 -6.165 1.00 54.55 C ATOM 1049 C LYS X 495 20.719 -1.222 -5.162 1.00 21.15 C ATOM 1050 O LYS X 495 21.361 -0.847 -4.181 1.00 32.02 O ATOM 1051 CB LYS X 495 21.131 0.964 -6.307 1.00 21.55 C ATOM 1052 CG LYS X 495 22.153 0.783 -7.416 1.00 34.12 C ATOM 1053 CD LYS X 495 23.460 1.488 -7.090 1.00 41.32 C ATOM 1054 CE LYS X 495 24.561 1.097 -8.064 1.00 2.20 C ATOM 1055 NZ LYS X 495 25.740 2.001 -7.959 1.00 52.14 N ATOM 0 H LYS X 495 18.839 1.201 -5.370 1.00 43.22 H new ATOM 0 HA LYS X 495 20.064 -0.711 -7.130 1.00 54.55 H new ATOM 0 HB2 LYS X 495 20.558 1.871 -6.497 1.00 21.55 H new ATOM 0 HB3 LYS X 495 21.654 1.110 -5.362 1.00 21.55 H new ATOM 0 HG2 LYS X 495 22.340 -0.280 -7.570 1.00 34.12 H new ATOM 0 HG3 LYS X 495 21.751 1.174 -8.350 1.00 34.12 H new ATOM 0 HD2 LYS X 495 23.311 2.567 -7.122 1.00 41.32 H new ATOM 0 HD3 LYS X 495 23.766 1.239 -6.074 1.00 41.32 H new ATOM 0 HE2 LYS X 495 24.872 0.071 -7.868 1.00 2.20 H new ATOM 0 HE3 LYS X 495 24.172 1.124 -9.082 1.00 2.20 H new ATOM 0 HZ1 LYS X 495 26.468 1.702 -8.638 1.00 52.14 H new ATOM 0 HZ2 LYS X 495 25.449 2.977 -8.170 1.00 52.14 H new ATOM 0 HZ3 LYS X 495 26.127 1.956 -6.995 1.00 52.14 H new ATOM 1065 N LYS X 496 20.467 -2.502 -5.415 1.00 11.13 N ATOM 1066 CA LYS X 496 20.942 -3.563 -4.535 1.00 1.23 C ATOM 1067 C LYS X 496 20.882 -4.918 -5.235 1.00 15.31 C ATOM 1068 O LYS X 496 19.877 -5.261 -5.858 1.00 74.41 O ATOM 1069 CB LYS X 496 20.108 -3.603 -3.253 1.00 74.42 C ATOM 1070 CG LYS X 496 20.385 -4.818 -2.384 1.00 55.24 C ATOM 1071 CD LYS X 496 21.823 -4.834 -1.892 1.00 53.12 C ATOM 1072 CE LYS X 496 22.047 -3.810 -0.789 1.00 61.32 C ATOM 1073 NZ LYS X 496 23.316 -4.058 -0.051 1.00 24.42 N ATOM 0 H LYS X 496 19.937 -2.830 -6.222 1.00 11.13 H new ATOM 0 HA LYS X 496 21.980 -3.351 -4.279 1.00 1.23 H new ATOM 0 HB2 LYS X 496 20.304 -2.701 -2.674 1.00 74.42 H new ATOM 0 HB3 LYS X 496 19.051 -3.589 -3.517 1.00 74.42 H new ATOM 0 HG2 LYS X 496 19.707 -4.818 -1.530 1.00 55.24 H new ATOM 0 HG3 LYS X 496 20.183 -5.726 -2.952 1.00 55.24 H new ATOM 0 HD2 LYS X 496 22.071 -5.829 -1.522 1.00 53.12 H new ATOM 0 HD3 LYS X 496 22.496 -4.627 -2.724 1.00 53.12 H new ATOM 0 HE2 LYS X 496 22.068 -2.810 -1.221 1.00 61.32 H new ATOM 0 HE3 LYS X 496 21.210 -3.839 -0.092 1.00 61.32 H new ATOM 0 HZ1 LYS X 496 23.432 -3.339 0.692 1.00 24.42 H new ATOM 0 HZ2 LYS X 496 23.286 -5.003 0.383 1.00 24.42 H new ATOM 0 HZ3 LYS X 496 24.118 -4.006 -0.711 1.00 24.42 H new ATOM 1083 N PHE X 497 21.963 -5.683 -5.127 1.00 40.43 N ATOM 1084 CA PHE X 497 22.032 -6.999 -5.749 1.00 75.40 C ATOM 1085 C PHE X 497 21.330 -8.046 -4.888 1.00 35.52 C ATOM 1086 O PHE X 497 21.036 -7.805 -3.718 1.00 20.55 O ATOM 1087 CB PHE X 497 23.491 -7.405 -5.975 1.00 73.03 C ATOM 1088 CG PHE X 497 24.129 -6.714 -7.146 1.00 45.00 C ATOM 1089 CD1 PHE X 497 23.956 -7.200 -8.433 1.00 13.40 C ATOM 1090 CD2 PHE X 497 24.901 -5.579 -6.961 1.00 50.40 C ATOM 1091 CE1 PHE X 497 24.544 -6.567 -9.512 1.00 11.54 C ATOM 1092 CE2 PHE X 497 25.491 -4.942 -8.037 1.00 41.24 C ATOM 1093 CZ PHE X 497 25.311 -5.436 -9.314 1.00 51.22 C ATOM 0 H PHE X 497 22.803 -5.414 -4.615 1.00 40.43 H new ATOM 0 HA PHE X 497 21.523 -6.944 -6.711 1.00 75.40 H new ATOM 0 HB2 PHE X 497 24.065 -7.184 -5.075 1.00 73.03 H new ATOM 0 HB3 PHE X 497 23.541 -8.483 -6.128 1.00 73.03 H new ATOM 0 HD1 PHE X 497 23.355 -8.083 -8.594 1.00 13.40 H new ATOM 0 HD2 PHE X 497 25.044 -5.187 -5.965 1.00 50.40 H new ATOM 0 HE1 PHE X 497 24.404 -6.957 -10.509 1.00 11.54 H new ATOM 0 HE2 PHE X 497 26.092 -4.059 -7.879 1.00 41.24 H new ATOM 0 HZ PHE X 497 25.769 -4.939 -10.156 1.00 51.22 H new TER 1102 PHE X 497