USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=18 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 485 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: X 488 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: X 489 LYS NZ :NH3+ -163:sc= 0.252 (180deg=0.0674) USER MOD Set 2.1: X 467 TYR OH : rot 56:sc= 1.28 USER MOD Set 2.2: X 495 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0805) USER MOD Single : X 428 THR OG1 : rot -25:sc= 0.353 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+ -159:sc= -0.0524 (180deg=-0.318) USER MOD Single : X 453 THR OG1 : rot 180:sc= 0 USER MOD Single : X 455 LYS NZ :NH3+ -120:sc= -0.341 (180deg=-2.77!) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ 159:sc= -0.0504 (180deg=-0.404) USER MOD Single : X 465 THR OG1 : rot 13:sc= 0.494 USER MOD Single : X 469 LYS NZ :NH3+ -170:sc= -0.0138 (180deg=-0.183) 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= -0.266 USER MOD Single : X 482 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.5!) USER MOD Single : X 490 TYR OH : rot 110:sc= -1.64 USER MOD Single : X 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR X 428 -0.147 21.642 7.385 1.00 5.00 N ATOM 2 CA THR X 428 0.693 21.018 8.399 1.00 12.01 C ATOM 3 C THR X 428 -0.142 20.206 9.383 1.00 30.04 C ATOM 4 O THR X 428 -0.422 20.656 10.494 1.00 12.04 O ATOM 5 CB THR X 428 1.505 22.069 9.179 1.00 24.02 C ATOM 6 OG1 THR X 428 0.694 23.221 9.440 1.00 71.40 O ATOM 7 CG2 THR X 428 2.745 22.482 8.401 1.00 53.21 C ATOM 0 HA THR X 428 1.379 20.353 7.875 1.00 12.01 H new ATOM 0 HB THR X 428 1.819 21.625 10.123 1.00 24.02 H new ATOM 0 HG1 THR X 428 -0.017 23.280 8.768 1.00 71.40 H new ATOM 0 HG21 THR X 428 3.302 23.225 8.972 1.00 53.21 H new ATOM 0 HG22 THR X 428 3.375 21.609 8.230 1.00 53.21 H new ATOM 0 HG23 THR X 428 2.448 22.909 7.443 1.00 53.21 H new ATOM 15 N SER X 429 -0.538 19.008 8.967 1.00 22.44 N ATOM 16 CA SER X 429 -1.345 18.133 9.810 1.00 32.13 C ATOM 17 C SER X 429 -0.462 17.331 10.761 1.00 55.14 C ATOM 18 O SER X 429 0.761 17.326 10.635 1.00 1.53 O ATOM 19 CB SER X 429 -2.179 17.185 8.947 1.00 32.21 C ATOM 20 OG SER X 429 -2.962 17.902 8.010 1.00 61.33 O ATOM 0 H SER X 429 -0.313 18.620 8.051 1.00 22.44 H new ATOM 0 HA SER X 429 -2.015 18.756 10.402 1.00 32.13 H new ATOM 0 HB2 SER X 429 -1.521 16.493 8.421 1.00 32.21 H new ATOM 0 HB3 SER X 429 -2.828 16.585 9.584 1.00 32.21 H new ATOM 0 HG SER X 429 -3.484 17.272 7.470 1.00 61.33 H new ATOM 25 N SER X 430 -1.095 16.653 11.715 1.00 63.41 N ATOM 26 CA SER X 430 -0.367 15.850 12.691 1.00 72.23 C ATOM 27 C SER X 430 -1.318 14.931 13.453 1.00 21.21 C ATOM 28 O SER X 430 -2.447 15.308 13.761 1.00 14.24 O ATOM 29 CB SER X 430 0.381 16.755 13.671 1.00 32.50 C ATOM 30 OG SER X 430 1.284 16.006 14.468 1.00 33.14 O ATOM 0 H SER X 430 -2.108 16.644 11.832 1.00 63.41 H new ATOM 0 HA SER X 430 0.355 15.234 12.154 1.00 72.23 H new ATOM 0 HB2 SER X 430 0.926 17.521 13.120 1.00 32.50 H new ATOM 0 HB3 SER X 430 -0.333 17.271 14.312 1.00 32.50 H new ATOM 0 HG SER X 430 1.751 16.607 15.085 1.00 33.14 H new ATOM 35 N GLU X 431 -0.849 13.723 13.754 1.00 55.00 N ATOM 36 CA GLU X 431 -1.657 12.751 14.480 1.00 42.22 C ATOM 37 C GLU X 431 -0.941 12.284 15.744 1.00 20.45 C ATOM 38 O GLU X 431 0.284 12.360 15.842 1.00 73.30 O ATOM 39 CB GLU X 431 -1.973 11.550 13.586 1.00 41.44 C ATOM 40 CG GLU X 431 -0.756 10.985 12.873 1.00 32.03 C ATOM 41 CD GLU X 431 -0.496 11.658 11.539 1.00 12.42 C ATOM 42 OE1 GLU X 431 -1.349 11.534 10.636 1.00 75.10 O ATOM 43 OE2 GLU X 431 0.560 12.310 11.400 1.00 11.15 O ATOM 0 H GLU X 431 0.085 13.395 13.506 1.00 55.00 H new ATOM 0 HA GLU X 431 -2.590 13.235 14.770 1.00 42.22 H new ATOM 0 HB2 GLU X 431 -2.425 10.765 14.193 1.00 41.44 H new ATOM 0 HB3 GLU X 431 -2.714 11.846 12.843 1.00 41.44 H new ATOM 0 HG2 GLU X 431 0.120 11.101 13.511 1.00 32.03 H new ATOM 0 HG3 GLU X 431 -0.896 9.916 12.715 1.00 32.03 H new ATOM 48 N LEU X 432 -1.715 11.800 16.710 1.00 34.30 N ATOM 49 CA LEU X 432 -1.155 11.321 17.969 1.00 42.04 C ATOM 50 C LEU X 432 -0.505 9.952 17.790 1.00 23.40 C ATOM 51 O LEU X 432 -0.830 9.199 16.873 1.00 3.34 O ATOM 52 CB LEU X 432 -2.247 11.242 19.038 1.00 52.42 C ATOM 53 CG LEU X 432 -2.603 12.558 19.731 1.00 51.24 C ATOM 54 CD1 LEU X 432 -3.970 12.461 20.391 1.00 52.35 C ATOM 55 CD2 LEU X 432 -1.540 12.926 20.755 1.00 24.45 C ATOM 0 H LEU X 432 -2.730 11.729 16.645 1.00 34.30 H new ATOM 0 HA LEU X 432 -0.390 12.028 18.290 1.00 42.04 H new ATOM 0 HB2 LEU X 432 -3.150 10.841 18.578 1.00 52.42 H new ATOM 0 HB3 LEU X 432 -1.932 10.527 19.798 1.00 52.42 H new ATOM 0 HG LEU X 432 -2.641 13.344 18.977 1.00 51.24 H new ATOM 0 HD11 LEU X 432 -4.206 13.407 20.879 1.00 52.35 H new ATOM 0 HD12 LEU X 432 -4.725 12.244 19.635 1.00 52.35 H new ATOM 0 HD13 LEU X 432 -3.960 11.662 21.133 1.00 52.35 H new ATOM 0 HD21 LEU X 432 -1.810 13.865 21.238 1.00 24.45 H new ATOM 0 HD22 LEU X 432 -1.470 12.139 21.506 1.00 24.45 H new ATOM 0 HD23 LEU X 432 -0.577 13.038 20.256 1.00 24.45 H new ATOM 66 N PRO X 433 0.436 9.623 18.689 1.00 12.24 N ATOM 67 CA PRO X 433 1.150 8.343 18.652 1.00 22.13 C ATOM 68 C PRO X 433 0.251 7.167 19.016 1.00 60.12 C ATOM 69 O PRO X 433 0.440 6.054 18.526 1.00 4.12 O ATOM 70 CB PRO X 433 2.249 8.521 19.703 1.00 11.51 C ATOM 71 CG PRO X 433 1.714 9.546 20.642 1.00 5.40 C ATOM 72 CD PRO X 433 0.874 10.473 19.807 1.00 52.10 C ATOM 0 HA PRO X 433 1.527 8.114 17.655 1.00 22.13 H new ATOM 0 HB2 PRO X 433 2.459 7.584 20.218 1.00 11.51 H new ATOM 0 HB3 PRO X 433 3.183 8.851 19.247 1.00 11.51 H new ATOM 0 HG2 PRO X 433 1.119 9.082 21.429 1.00 5.40 H new ATOM 0 HG3 PRO X 433 2.524 10.087 21.132 1.00 5.40 H new ATOM 0 HD2 PRO X 433 0.027 10.864 20.370 1.00 52.10 H new ATOM 0 HD3 PRO X 433 1.448 11.331 19.458 1.00 52.10 H new ATOM 77 N GLU X 434 -0.728 7.421 19.879 1.00 43.15 N ATOM 78 CA GLU X 434 -1.656 6.381 20.308 1.00 43.22 C ATOM 79 C GLU X 434 -2.331 5.725 19.107 1.00 63.42 C ATOM 80 O GLU X 434 -2.389 4.499 19.007 1.00 44.34 O ATOM 81 CB GLU X 434 -2.715 6.966 21.244 1.00 71.33 C ATOM 82 CG GLU X 434 -3.321 5.945 22.192 1.00 34.22 C ATOM 83 CD GLU X 434 -4.193 4.931 21.476 1.00 41.40 C ATOM 84 OE1 GLU X 434 -5.291 5.312 21.016 1.00 4.22 O ATOM 85 OE2 GLU X 434 -3.777 3.758 21.377 1.00 13.12 O ATOM 0 H GLU X 434 -0.899 8.337 20.294 1.00 43.15 H new ATOM 0 HA GLU X 434 -1.087 5.621 20.844 1.00 43.22 H new ATOM 0 HB2 GLU X 434 -2.267 7.770 21.828 1.00 71.33 H new ATOM 0 HB3 GLU X 434 -3.510 7.411 20.646 1.00 71.33 H new ATOM 0 HG2 GLU X 434 -2.521 5.424 22.719 1.00 34.22 H new ATOM 0 HG3 GLU X 434 -3.915 6.462 22.946 1.00 34.22 H new ATOM 90 N LEU X 435 -2.840 6.550 18.198 1.00 33.41 N ATOM 91 CA LEU X 435 -3.512 6.051 17.003 1.00 1.10 C ATOM 92 C LEU X 435 -2.545 5.263 16.124 1.00 42.22 C ATOM 93 O LEU X 435 -2.930 4.286 15.481 1.00 63.41 O ATOM 94 CB LEU X 435 -4.112 7.212 16.209 1.00 71.34 C ATOM 95 CG LEU X 435 -5.543 7.606 16.574 1.00 13.23 C ATOM 96 CD1 LEU X 435 -6.508 6.476 16.249 1.00 51.12 C ATOM 97 CD2 LEU X 435 -5.634 7.982 18.046 1.00 41.23 C ATOM 0 H LEU X 435 -2.800 7.567 18.266 1.00 33.41 H new ATOM 0 HA LEU X 435 -4.314 5.383 17.318 1.00 1.10 H new ATOM 0 HB2 LEU X 435 -3.472 8.084 16.340 1.00 71.34 H new ATOM 0 HB3 LEU X 435 -4.086 6.953 15.150 1.00 71.34 H new ATOM 0 HG LEU X 435 -5.822 8.476 15.980 1.00 13.23 H new ATOM 0 HD11 LEU X 435 -7.522 6.775 16.516 1.00 51.12 H new ATOM 0 HD12 LEU X 435 -6.464 6.255 15.183 1.00 51.12 H new ATOM 0 HD13 LEU X 435 -6.231 5.587 16.816 1.00 51.12 H new ATOM 0 HD21 LEU X 435 -6.660 8.260 18.288 1.00 41.23 H new ATOM 0 HD22 LEU X 435 -5.334 7.131 18.658 1.00 41.23 H new ATOM 0 HD23 LEU X 435 -4.973 8.825 18.248 1.00 41.23 H new ATOM 108 N LEU X 436 -1.289 5.694 16.101 1.00 10.10 N ATOM 109 CA LEU X 436 -0.266 5.029 15.302 1.00 54.32 C ATOM 110 C LEU X 436 -0.115 3.569 15.717 1.00 4.13 C ATOM 111 O LEU X 436 0.195 2.708 14.895 1.00 23.03 O ATOM 112 CB LEU X 436 1.074 5.754 15.447 1.00 2.34 C ATOM 113 CG LEU X 436 2.190 5.295 14.508 1.00 51.35 C ATOM 114 CD1 LEU X 436 1.970 5.847 13.108 1.00 70.33 C ATOM 115 CD2 LEU X 436 3.547 5.723 15.045 1.00 70.22 C ATOM 0 H LEU X 436 -0.954 6.501 16.627 1.00 10.10 H new ATOM 0 HA LEU X 436 -0.578 5.060 14.258 1.00 54.32 H new ATOM 0 HB2 LEU X 436 0.907 6.819 15.287 1.00 2.34 H new ATOM 0 HB3 LEU X 436 1.419 5.636 16.474 1.00 2.34 H new ATOM 0 HG LEU X 436 2.170 4.207 14.454 1.00 51.35 H new ATOM 0 HD11 LEU X 436 2.774 5.510 12.454 1.00 70.33 H new ATOM 0 HD12 LEU X 436 1.015 5.491 12.722 1.00 70.33 H new ATOM 0 HD13 LEU X 436 1.963 6.936 13.143 1.00 70.33 H new ATOM 0 HD21 LEU X 436 4.330 5.388 14.364 1.00 70.22 H new ATOM 0 HD22 LEU X 436 3.579 6.809 15.129 1.00 70.22 H new ATOM 0 HD23 LEU X 436 3.706 5.279 16.028 1.00 70.22 H new ATOM 126 N ARG X 437 -0.338 3.298 17.000 1.00 63.05 N ATOM 127 CA ARG X 437 -0.228 1.943 17.524 1.00 23.32 C ATOM 128 C ARG X 437 -1.460 1.118 17.164 1.00 23.54 C ATOM 129 O ARG X 437 -1.352 -0.050 16.790 1.00 42.04 O ATOM 130 CB ARG X 437 -0.047 1.973 19.043 1.00 5.45 C ATOM 131 CG ARG X 437 1.375 2.284 19.481 1.00 71.01 C ATOM 132 CD ARG X 437 1.403 2.943 20.851 1.00 12.24 C ATOM 133 NE ARG X 437 0.912 2.052 21.898 1.00 42.42 N ATOM 134 CZ ARG X 437 1.646 1.094 22.453 1.00 44.34 C ATOM 135 NH1 ARG X 437 2.899 0.906 22.064 1.00 31.32 N ATOM 136 NH2 ARG X 437 1.128 0.323 23.400 1.00 3.22 N ATOM 0 H ARG X 437 -0.596 3.999 17.694 1.00 63.05 H new ATOM 0 HA ARG X 437 0.646 1.476 17.070 1.00 23.32 H new ATOM 0 HB2 ARG X 437 -0.720 2.719 19.466 1.00 5.45 H new ATOM 0 HB3 ARG X 437 -0.342 1.008 19.455 1.00 5.45 H new ATOM 0 HG2 ARG X 437 1.959 1.364 19.506 1.00 71.01 H new ATOM 0 HG3 ARG X 437 1.847 2.941 18.750 1.00 71.01 H new ATOM 0 HD2 ARG X 437 2.423 3.249 21.085 1.00 12.24 H new ATOM 0 HD3 ARG X 437 0.795 3.847 20.830 1.00 12.24 H new ATOM 0 HE ARG X 437 -0.048 2.172 22.221 1.00 42.42 H new ATOM 0 HH11 ARG X 437 3.302 1.498 21.337 1.00 31.32 H new ATOM 0 HH12 ARG X 437 3.461 0.170 22.492 1.00 31.32 H new ATOM 0 HH21 ARG X 437 0.165 0.465 23.703 1.00 3.22 H new ATOM 0 HH22 ARG X 437 1.693 -0.412 23.825 1.00 3.22 H new ATOM 147 N LYS X 438 -2.632 1.734 17.280 1.00 1.54 N ATOM 148 CA LYS X 438 -3.886 1.059 16.967 1.00 61.22 C ATOM 149 C LYS X 438 -3.909 0.602 15.512 1.00 34.03 C ATOM 150 O LYS X 438 -3.186 1.137 14.672 1.00 2.32 O ATOM 151 CB LYS X 438 -5.071 1.989 17.239 1.00 61.01 C ATOM 152 CG LYS X 438 -5.382 2.160 18.715 1.00 54.31 C ATOM 153 CD LYS X 438 -6.224 1.011 19.245 1.00 10.44 C ATOM 154 CE LYS X 438 -6.112 0.888 20.756 1.00 64.13 C ATOM 155 NZ LYS X 438 -6.502 -0.467 21.233 1.00 21.52 N ATOM 0 H LYS X 438 -2.739 2.700 17.589 1.00 1.54 H new ATOM 0 HA LYS X 438 -3.967 0.180 17.607 1.00 61.22 H new ATOM 0 HB2 LYS X 438 -4.862 2.967 16.804 1.00 61.01 H new ATOM 0 HB3 LYS X 438 -5.953 1.597 16.733 1.00 61.01 H new ATOM 0 HG2 LYS X 438 -4.451 2.220 19.279 1.00 54.31 H new ATOM 0 HG3 LYS X 438 -5.910 3.101 18.870 1.00 54.31 H new ATOM 0 HD2 LYS X 438 -7.267 1.165 18.968 1.00 10.44 H new ATOM 0 HD3 LYS X 438 -5.904 0.079 18.778 1.00 10.44 H new ATOM 0 HE2 LYS X 438 -5.088 1.100 21.063 1.00 64.13 H new ATOM 0 HE3 LYS X 438 -6.748 1.636 21.229 1.00 64.13 H new ATOM 0 HZ1 LYS X 438 -6.412 -0.510 22.268 1.00 21.52 H new ATOM 0 HZ2 LYS X 438 -7.488 -0.660 20.963 1.00 21.52 H new ATOM 0 HZ3 LYS X 438 -5.879 -1.179 20.802 1.00 21.52 H new ATOM 165 N ARG X 439 -4.744 -0.391 15.221 1.00 54.15 N ATOM 166 CA ARG X 439 -4.861 -0.919 13.868 1.00 65.33 C ATOM 167 C ARG X 439 -6.303 -0.839 13.375 1.00 4.53 C ATOM 168 O ARG X 439 -7.166 -1.589 13.830 1.00 21.20 O ATOM 169 CB ARG X 439 -4.374 -2.369 13.820 1.00 74.13 C ATOM 170 CG ARG X 439 -4.901 -3.226 14.960 1.00 71.52 C ATOM 171 CD ARG X 439 -3.962 -3.201 16.156 1.00 62.55 C ATOM 172 NE ARG X 439 -2.960 -4.261 16.087 1.00 43.02 N ATOM 173 CZ ARG X 439 -1.895 -4.319 16.878 1.00 12.42 C ATOM 174 NH1 ARG X 439 -1.695 -3.382 17.795 1.00 31.31 N ATOM 175 NH2 ARG X 439 -1.029 -5.315 16.754 1.00 4.14 N ATOM 0 H ARG X 439 -5.349 -0.846 15.905 1.00 54.15 H new ATOM 0 HA ARG X 439 -4.237 -0.311 13.213 1.00 65.33 H new ATOM 0 HB2 ARG X 439 -4.677 -2.814 12.872 1.00 74.13 H new ATOM 0 HB3 ARG X 439 -3.284 -2.378 13.843 1.00 74.13 H new ATOM 0 HG2 ARG X 439 -5.885 -2.867 15.261 1.00 71.52 H new ATOM 0 HG3 ARG X 439 -5.027 -4.253 14.617 1.00 71.52 H new ATOM 0 HD2 ARG X 439 -3.463 -2.233 16.205 1.00 62.55 H new ATOM 0 HD3 ARG X 439 -4.541 -3.308 17.074 1.00 62.55 H new ATOM 0 HE ARG X 439 -3.085 -4.998 15.393 1.00 43.02 H new ATOM 0 HH11 ARG X 439 -2.360 -2.615 17.894 1.00 31.31 H new ATOM 0 HH12 ARG X 439 -0.876 -3.429 18.402 1.00 31.31 H new ATOM 0 HH21 ARG X 439 -1.180 -6.038 16.050 1.00 4.14 H new ATOM 0 HH22 ARG X 439 -0.211 -5.359 17.362 1.00 4.14 H new ATOM 186 N GLU X 440 -6.555 0.075 12.443 1.00 74.00 N ATOM 187 CA GLU X 440 -7.892 0.254 11.891 1.00 14.10 C ATOM 188 C GLU X 440 -7.970 -0.294 10.468 1.00 65.23 C ATOM 189 O GLU X 440 -7.673 0.412 9.504 1.00 11.23 O ATOM 190 CB GLU X 440 -8.279 1.735 11.901 1.00 61.52 C ATOM 191 CG GLU X 440 -9.775 1.973 11.790 1.00 31.02 C ATOM 192 CD GLU X 440 -10.280 1.863 10.365 1.00 2.42 C ATOM 193 OE1 GLU X 440 -10.197 2.869 9.628 1.00 62.25 O ATOM 194 OE2 GLU X 440 -10.757 0.774 9.986 1.00 1.35 O ATOM 0 H GLU X 440 -5.851 0.703 12.055 1.00 74.00 H new ATOM 0 HA GLU X 440 -8.592 -0.301 12.515 1.00 14.10 H new ATOM 0 HB2 GLU X 440 -7.914 2.191 12.821 1.00 61.52 H new ATOM 0 HB3 GLU X 440 -7.777 2.239 11.075 1.00 61.52 H new ATOM 0 HG2 GLU X 440 -10.301 1.251 12.414 1.00 31.02 H new ATOM 0 HG3 GLU X 440 -10.011 2.963 12.180 1.00 31.02 H new ATOM 199 N ARG X 441 -8.371 -1.555 10.348 1.00 64.13 N ATOM 200 CA ARG X 441 -8.488 -2.198 9.045 1.00 54.45 C ATOM 201 C ARG X 441 -9.884 -2.782 8.849 1.00 4.51 C ATOM 202 O ARG X 441 -10.092 -3.986 8.999 1.00 2.02 O ATOM 203 CB ARG X 441 -7.438 -3.301 8.901 1.00 52.24 C ATOM 204 CG ARG X 441 -7.319 -3.848 7.488 1.00 11.15 C ATOM 205 CD ARG X 441 -6.316 -3.053 6.665 1.00 0.01 C ATOM 206 NE ARG X 441 -6.944 -1.933 5.970 1.00 15.32 N ATOM 207 CZ ARG X 441 -6.262 -0.952 5.391 1.00 50.33 C ATOM 208 NH1 ARG X 441 -4.936 -0.954 5.423 1.00 12.34 N ATOM 209 NH2 ARG X 441 -6.905 0.033 4.777 1.00 45.05 N ATOM 0 H ARG X 441 -8.620 -2.152 11.137 1.00 64.13 H new ATOM 0 HA ARG X 441 -8.319 -1.441 8.279 1.00 54.45 H new ATOM 0 HB2 ARG X 441 -6.469 -2.912 9.214 1.00 52.24 H new ATOM 0 HB3 ARG X 441 -7.687 -4.118 9.578 1.00 52.24 H new ATOM 0 HG2 ARG X 441 -7.013 -4.893 7.526 1.00 11.15 H new ATOM 0 HG3 ARG X 441 -8.294 -3.819 7.002 1.00 11.15 H new ATOM 0 HD2 ARG X 441 -5.527 -2.678 7.318 1.00 0.01 H new ATOM 0 HD3 ARG X 441 -5.842 -3.711 5.937 1.00 0.01 H new ATOM 0 HE ARG X 441 -7.963 -1.903 5.927 1.00 15.32 H new ATOM 0 HH11 ARG X 441 -4.438 -1.710 5.893 1.00 12.34 H new ATOM 0 HH12 ARG X 441 -4.414 -0.199 4.978 1.00 12.34 H new ATOM 0 HH21 ARG X 441 -7.925 0.037 4.749 1.00 45.05 H new ATOM 0 HH22 ARG X 441 -6.380 0.786 4.333 1.00 45.05 H new ATOM 220 N LYS X 442 -10.839 -1.920 8.514 1.00 45.10 N ATOM 221 CA LYS X 442 -12.215 -2.348 8.297 1.00 20.53 C ATOM 222 C LYS X 442 -12.544 -2.390 6.808 1.00 51.34 C ATOM 223 O LYS X 442 -12.976 -3.418 6.285 1.00 64.12 O ATOM 224 CB LYS X 442 -13.184 -1.407 9.017 1.00 73.40 C ATOM 225 CG LYS X 442 -13.197 -1.587 10.525 1.00 3.44 C ATOM 226 CD LYS X 442 -13.964 -0.470 11.213 1.00 34.11 C ATOM 227 CE LYS X 442 -15.464 -0.618 11.013 1.00 72.14 C ATOM 228 NZ LYS X 442 -16.235 0.328 11.867 1.00 14.41 N ATOM 0 H LYS X 442 -10.684 -0.920 8.387 1.00 45.10 H new ATOM 0 HA LYS X 442 -12.324 -3.353 8.704 1.00 20.53 H new ATOM 0 HB2 LYS X 442 -12.917 -0.376 8.785 1.00 73.40 H new ATOM 0 HB3 LYS X 442 -14.190 -1.570 8.631 1.00 73.40 H new ATOM 0 HG2 LYS X 442 -13.649 -2.547 10.774 1.00 3.44 H new ATOM 0 HG3 LYS X 442 -12.173 -1.610 10.898 1.00 3.44 H new ATOM 0 HD2 LYS X 442 -13.736 -0.474 12.279 1.00 34.11 H new ATOM 0 HD3 LYS X 442 -13.637 0.493 10.820 1.00 34.11 H new ATOM 0 HE2 LYS X 442 -15.709 -0.444 9.965 1.00 72.14 H new ATOM 0 HE3 LYS X 442 -15.762 -1.641 11.244 1.00 72.14 H new ATOM 0 HZ1 LYS X 442 -17.253 0.195 11.701 1.00 14.41 H new ATOM 0 HZ2 LYS X 442 -16.021 0.145 12.868 1.00 14.41 H new ATOM 0 HZ3 LYS X 442 -15.970 1.305 11.629 1.00 14.41 H new ATOM 238 N THR X 443 -12.335 -1.267 6.128 1.00 63.21 N ATOM 239 CA THR X 443 -12.608 -1.175 4.700 1.00 54.10 C ATOM 240 C THR X 443 -11.510 -0.401 3.979 1.00 60.12 C ATOM 241 O THR X 443 -11.048 0.632 4.460 1.00 33.34 O ATOM 242 CB THR X 443 -13.964 -0.494 4.430 1.00 42.20 C ATOM 243 OG1 THR X 443 -14.121 0.640 5.289 1.00 34.22 O ATOM 244 CG2 THR X 443 -15.111 -1.467 4.650 1.00 15.03 C ATOM 0 H THR X 443 -11.977 -0.408 6.545 1.00 63.21 H new ATOM 0 HA THR X 443 -12.640 -2.195 4.318 1.00 54.10 H new ATOM 0 HB THR X 443 -13.982 -0.167 3.390 1.00 42.20 H new ATOM 0 HG1 THR X 443 -14.984 1.069 5.111 1.00 34.22 H new ATOM 0 HG21 THR X 443 -16.058 -0.964 4.453 1.00 15.03 H new ATOM 0 HG22 THR X 443 -15.004 -2.315 3.974 1.00 15.03 H new ATOM 0 HG23 THR X 443 -15.095 -1.821 5.681 1.00 15.03 H new ATOM 252 N GLY X 444 -11.098 -0.907 2.820 1.00 13.44 N ATOM 253 CA GLY X 444 -10.059 -0.250 2.051 1.00 40.13 C ATOM 254 C GLY X 444 -9.962 -0.780 0.634 1.00 0.11 C ATOM 255 O GLY X 444 -9.864 -1.989 0.422 1.00 20.11 O ATOM 0 H GLY X 444 -11.466 -1.761 2.401 1.00 13.44 H new ATOM 0 HA2 GLY X 444 -10.256 0.822 2.022 1.00 40.13 H new ATOM 0 HA3 GLY X 444 -9.100 -0.385 2.552 1.00 40.13 H new ATOM 259 N ASP X 445 -9.992 0.125 -0.338 1.00 33.42 N ATOM 260 CA ASP X 445 -9.908 -0.258 -1.742 1.00 63.12 C ATOM 261 C ASP X 445 -8.594 0.213 -2.356 1.00 60.55 C ATOM 262 O ASP X 445 -8.512 0.459 -3.561 1.00 54.13 O ATOM 263 CB ASP X 445 -11.088 0.323 -2.523 1.00 22.50 C ATOM 264 CG ASP X 445 -11.341 -0.414 -3.824 1.00 62.43 C ATOM 265 OD1 ASP X 445 -11.536 -1.647 -3.780 1.00 43.22 O ATOM 266 OD2 ASP X 445 -11.344 0.242 -4.886 1.00 53.12 O ATOM 0 H ASP X 445 -10.074 1.129 -0.179 1.00 33.42 H new ATOM 0 HA ASP X 445 -9.945 -1.346 -1.799 1.00 63.12 H new ATOM 0 HB2 ASP X 445 -11.985 0.281 -1.905 1.00 22.50 H new ATOM 0 HB3 ASP X 445 -10.896 1.375 -2.736 1.00 22.50 H new ATOM 270 N LEU X 446 -7.568 0.338 -1.522 1.00 61.11 N ATOM 271 CA LEU X 446 -6.257 0.782 -1.982 1.00 30.24 C ATOM 272 C LEU X 446 -6.368 2.083 -2.772 1.00 5.04 C ATOM 273 O LEU X 446 -6.145 2.124 -3.981 1.00 32.22 O ATOM 274 CB LEU X 446 -5.606 -0.299 -2.848 1.00 51.31 C ATOM 275 CG LEU X 446 -4.077 -0.314 -2.865 1.00 63.14 C ATOM 276 CD1 LEU X 446 -3.536 0.974 -3.465 1.00 35.14 C ATOM 277 CD2 LEU X 446 -3.530 -0.521 -1.459 1.00 71.04 C ATOM 0 H LEU X 446 -7.619 0.138 -0.523 1.00 61.11 H new ATOM 0 HA LEU X 446 -5.634 0.962 -1.106 1.00 30.24 H new ATOM 0 HB2 LEU X 446 -5.955 -1.272 -2.503 1.00 51.31 H new ATOM 0 HB3 LEU X 446 -5.960 -0.178 -3.872 1.00 51.31 H new ATOM 0 HG LEU X 446 -3.748 -1.146 -3.488 1.00 63.14 H new ATOM 0 HD11 LEU X 446 -2.446 0.944 -3.468 1.00 35.14 H new ATOM 0 HD12 LEU X 446 -3.899 1.080 -4.487 1.00 35.14 H new ATOM 0 HD13 LEU X 446 -3.874 1.823 -2.870 1.00 35.14 H new ATOM 0 HD21 LEU X 446 -2.440 -0.529 -1.490 1.00 71.04 H new ATOM 0 HD22 LEU X 446 -3.869 0.290 -0.814 1.00 71.04 H new ATOM 0 HD23 LEU X 446 -3.889 -1.472 -1.065 1.00 71.04 H new ATOM 288 N PRO X 447 -6.718 3.172 -2.071 1.00 40.52 N ATOM 289 CA PRO X 447 -6.864 4.495 -2.685 1.00 65.30 C ATOM 290 C PRO X 447 -5.525 5.083 -3.118 1.00 43.30 C ATOM 291 O PRO X 447 -4.504 4.397 -3.117 1.00 40.53 O ATOM 292 CB PRO X 447 -7.483 5.338 -1.568 1.00 62.33 C ATOM 293 CG PRO X 447 -7.064 4.664 -0.308 1.00 3.31 C ATOM 294 CD PRO X 447 -6.998 3.196 -0.626 1.00 33.20 C ATOM 0 HA PRO X 447 -7.466 4.459 -3.593 1.00 65.30 H new ATOM 0 HB2 PRO X 447 -7.125 6.367 -1.604 1.00 62.33 H new ATOM 0 HB3 PRO X 447 -8.569 5.375 -1.655 1.00 62.33 H new ATOM 0 HG2 PRO X 447 -6.096 5.034 0.029 1.00 3.31 H new ATOM 0 HG3 PRO X 447 -7.776 4.858 0.494 1.00 3.31 H new ATOM 0 HD2 PRO X 447 -6.214 2.696 -0.057 1.00 33.20 H new ATOM 0 HD3 PRO X 447 -7.935 2.691 -0.390 1.00 33.20 H new ATOM 299 N LYS X 448 -5.537 6.360 -3.489 1.00 14.21 N ATOM 300 CA LYS X 448 -4.325 7.042 -3.922 1.00 62.00 C ATOM 301 C LYS X 448 -3.570 7.622 -2.730 1.00 31.12 C ATOM 302 O LYS X 448 -2.340 7.675 -2.728 1.00 10.44 O ATOM 303 CB LYS X 448 -4.669 8.157 -4.913 1.00 73.50 C ATOM 304 CG LYS X 448 -5.430 7.671 -6.135 1.00 53.42 C ATOM 305 CD LYS X 448 -4.489 7.139 -7.203 1.00 4.51 C ATOM 306 CE LYS X 448 -4.062 8.236 -8.167 1.00 53.54 C ATOM 307 NZ LYS X 448 -5.190 8.684 -9.031 1.00 73.14 N ATOM 0 H LYS X 448 -6.374 6.943 -3.498 1.00 14.21 H new ATOM 0 HA LYS X 448 -3.684 6.311 -4.414 1.00 62.00 H new ATOM 0 HB2 LYS X 448 -5.264 8.915 -4.403 1.00 73.50 H new ATOM 0 HB3 LYS X 448 -3.747 8.640 -5.238 1.00 73.50 H new ATOM 0 HG2 LYS X 448 -6.129 6.888 -5.842 1.00 53.42 H new ATOM 0 HG3 LYS X 448 -6.022 8.489 -6.545 1.00 53.42 H new ATOM 0 HD2 LYS X 448 -3.608 6.706 -6.730 1.00 4.51 H new ATOM 0 HD3 LYS X 448 -4.980 6.338 -7.756 1.00 4.51 H new ATOM 0 HE2 LYS X 448 -3.677 9.085 -7.603 1.00 53.54 H new ATOM 0 HE3 LYS X 448 -3.247 7.873 -8.793 1.00 53.54 H new ATOM 0 HZ1 LYS X 448 -4.813 9.146 -9.883 1.00 73.14 H new ATOM 0 HZ2 LYS X 448 -5.763 7.861 -9.308 1.00 73.14 H new ATOM 0 HZ3 LYS X 448 -5.783 9.358 -8.506 1.00 73.14 H new ATOM 317 N PHE X 449 -4.315 8.055 -1.719 1.00 32.03 N ATOM 318 CA PHE X 449 -3.716 8.631 -0.520 1.00 42.40 C ATOM 319 C PHE X 449 -2.913 7.581 0.244 1.00 34.02 C ATOM 320 O PHE X 449 -1.877 7.888 0.835 1.00 50.33 O ATOM 321 CB PHE X 449 -4.801 9.218 0.386 1.00 23.45 C ATOM 322 CG PHE X 449 -4.253 10.003 1.544 1.00 70.52 C ATOM 323 CD1 PHE X 449 -3.991 11.358 1.417 1.00 0.32 C ATOM 324 CD2 PHE X 449 -4.003 9.386 2.759 1.00 43.20 C ATOM 325 CE1 PHE X 449 -3.487 12.082 2.481 1.00 14.43 C ATOM 326 CE2 PHE X 449 -3.500 10.106 3.826 1.00 54.21 C ATOM 327 CZ PHE X 449 -3.243 11.455 3.687 1.00 51.14 C ATOM 0 H PHE X 449 -5.334 8.018 -1.705 1.00 32.03 H new ATOM 0 HA PHE X 449 -3.039 9.428 -0.828 1.00 42.40 H new ATOM 0 HB2 PHE X 449 -5.448 9.864 -0.207 1.00 23.45 H new ATOM 0 HB3 PHE X 449 -5.422 8.408 0.768 1.00 23.45 H new ATOM 0 HD1 PHE X 449 -4.183 11.853 0.477 1.00 0.32 H new ATOM 0 HD2 PHE X 449 -4.203 8.331 2.874 1.00 43.20 H new ATOM 0 HE1 PHE X 449 -3.284 13.137 2.369 1.00 14.43 H new ATOM 0 HE2 PHE X 449 -3.308 9.614 4.768 1.00 54.21 H new ATOM 0 HZ PHE X 449 -2.852 12.019 4.520 1.00 51.14 H new ATOM 336 N ILE X 450 -3.398 6.345 0.226 1.00 25.32 N ATOM 337 CA ILE X 450 -2.726 5.252 0.917 1.00 11.31 C ATOM 338 C ILE X 450 -1.531 4.749 0.115 1.00 33.23 C ATOM 339 O ILE X 450 -0.434 4.589 0.652 1.00 25.32 O ATOM 340 CB ILE X 450 -3.687 4.076 1.178 1.00 11.41 C ATOM 341 CG1 ILE X 450 -4.779 4.491 2.165 1.00 44.32 C ATOM 342 CG2 ILE X 450 -2.918 2.872 1.704 1.00 35.30 C ATOM 343 CD1 ILE X 450 -5.816 3.416 2.405 1.00 52.51 C ATOM 0 H ILE X 450 -4.254 6.075 -0.259 1.00 25.32 H new ATOM 0 HA ILE X 450 -2.380 5.646 1.872 1.00 11.31 H new ATOM 0 HB ILE X 450 -4.162 3.797 0.237 1.00 11.41 H new ATOM 0 HG12 ILE X 450 -4.316 4.757 3.115 1.00 44.32 H new ATOM 0 HG13 ILE X 450 -5.275 5.386 1.790 1.00 44.32 H new ATOM 0 HG21 ILE X 450 -3.610 2.049 1.884 1.00 35.30 H new ATOM 0 HG22 ILE X 450 -2.173 2.566 0.969 1.00 35.30 H new ATOM 0 HG23 ILE X 450 -2.420 3.138 2.636 1.00 35.30 H new ATOM 0 HD11 ILE X 450 -6.559 3.779 3.115 1.00 52.51 H new ATOM 0 HD12 ILE X 450 -6.305 3.166 1.464 1.00 52.51 H new ATOM 0 HD13 ILE X 450 -5.332 2.527 2.810 1.00 52.51 H new ATOM 354 N GLU X 451 -1.750 4.501 -1.173 1.00 1.30 N ATOM 355 CA GLU X 451 -0.689 4.017 -2.048 1.00 54.42 C ATOM 356 C GLU X 451 0.426 5.050 -2.174 1.00 44.11 C ATOM 357 O GLU X 451 1.590 4.701 -2.373 1.00 31.34 O ATOM 358 CB GLU X 451 -1.251 3.685 -3.432 1.00 73.44 C ATOM 359 CG GLU X 451 -1.441 4.905 -4.320 1.00 32.04 C ATOM 360 CD GLU X 451 -2.274 4.606 -5.551 1.00 20.32 C ATOM 361 OE1 GLU X 451 -3.337 3.966 -5.408 1.00 4.44 O ATOM 362 OE2 GLU X 451 -1.864 5.014 -6.657 1.00 72.52 O ATOM 0 H GLU X 451 -2.652 4.627 -1.633 1.00 1.30 H new ATOM 0 HA GLU X 451 -0.273 3.112 -1.606 1.00 54.42 H new ATOM 0 HB2 GLU X 451 -0.580 2.985 -3.929 1.00 73.44 H new ATOM 0 HB3 GLU X 451 -2.209 3.179 -3.314 1.00 73.44 H new ATOM 0 HG2 GLU X 451 -1.920 5.697 -3.745 1.00 32.04 H new ATOM 0 HG3 GLU X 451 -0.465 5.281 -4.628 1.00 32.04 H new ATOM 367 N GLU X 452 0.061 6.323 -2.057 1.00 43.54 N ATOM 368 CA GLU X 452 1.032 7.408 -2.159 1.00 75.14 C ATOM 369 C GLU X 452 1.868 7.512 -0.887 1.00 10.33 C ATOM 370 O GLU X 452 3.093 7.625 -0.942 1.00 62.14 O ATOM 371 CB GLU X 452 0.320 8.735 -2.426 1.00 22.31 C ATOM 372 CG GLU X 452 1.269 9.896 -2.670 1.00 64.41 C ATOM 373 CD GLU X 452 1.758 9.958 -4.105 1.00 35.14 C ATOM 374 OE1 GLU X 452 2.577 9.098 -4.489 1.00 42.21 O ATOM 375 OE2 GLU X 452 1.321 10.867 -4.842 1.00 10.14 O ATOM 0 H GLU X 452 -0.898 6.629 -1.892 1.00 43.54 H new ATOM 0 HA GLU X 452 1.699 7.188 -2.993 1.00 75.14 H new ATOM 0 HB2 GLU X 452 -0.331 8.620 -3.293 1.00 22.31 H new ATOM 0 HB3 GLU X 452 -0.320 8.972 -1.576 1.00 22.31 H new ATOM 0 HG2 GLU X 452 0.766 10.830 -2.421 1.00 64.41 H new ATOM 0 HG3 GLU X 452 2.125 9.807 -2.002 1.00 64.41 H new ATOM 380 N THR X 453 1.195 7.473 0.260 1.00 42.14 N ATOM 381 CA THR X 453 1.874 7.565 1.547 1.00 1.30 C ATOM 382 C THR X 453 2.666 6.297 1.842 1.00 30.24 C ATOM 383 O THR X 453 3.721 6.346 2.474 1.00 13.44 O ATOM 384 CB THR X 453 0.875 7.813 2.692 1.00 5.33 C ATOM 385 OG1 THR X 453 1.581 8.100 3.904 1.00 45.05 O ATOM 386 CG2 THR X 453 -0.023 6.602 2.897 1.00 64.03 C ATOM 0 H THR X 453 0.181 7.378 0.323 1.00 42.14 H new ATOM 0 HA THR X 453 2.559 8.410 1.484 1.00 1.30 H new ATOM 0 HB THR X 453 0.252 8.667 2.424 1.00 5.33 H new ATOM 0 HG1 THR X 453 0.939 8.258 4.627 1.00 45.05 H new ATOM 0 HG21 THR X 453 -0.721 6.800 3.711 1.00 64.03 H new ATOM 0 HG22 THR X 453 -0.580 6.403 1.982 1.00 64.03 H new ATOM 0 HG23 THR X 453 0.588 5.734 3.146 1.00 64.03 H new ATOM 394 N GLU X 454 2.148 5.161 1.382 1.00 61.44 N ATOM 395 CA GLU X 454 2.809 3.879 1.599 1.00 4.33 C ATOM 396 C GLU X 454 4.047 3.748 0.717 1.00 54.22 C ATOM 397 O GLU X 454 5.130 3.405 1.193 1.00 33.03 O ATOM 398 CB GLU X 454 1.842 2.728 1.314 1.00 4.25 C ATOM 399 CG GLU X 454 2.274 1.405 1.924 1.00 54.45 C ATOM 400 CD GLU X 454 1.119 0.437 2.096 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.120 0.813 2.744 1.00 25.31 O ATOM 402 OE2 GLU X 454 1.215 -0.696 1.581 1.00 32.21 O ATOM 0 H GLU X 454 1.275 5.103 0.858 1.00 61.44 H new ATOM 0 HA GLU X 454 3.122 3.832 2.642 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.856 2.990 1.697 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.743 2.606 0.235 1.00 4.25 H new ATOM 0 HG2 GLU X 454 3.035 0.948 1.291 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.736 1.590 2.894 1.00 54.45 H new ATOM 407 N LYS X 455 3.879 4.025 -0.572 1.00 25.33 N ATOM 408 CA LYS X 455 4.981 3.939 -1.523 1.00 0.54 C ATOM 409 C LYS X 455 6.074 4.948 -1.183 1.00 62.42 C ATOM 410 O LYS X 455 7.262 4.632 -1.233 1.00 21.12 O ATOM 411 CB LYS X 455 4.474 4.182 -2.947 1.00 34.23 C ATOM 412 CG LYS X 455 5.581 4.239 -3.985 1.00 13.52 C ATOM 413 CD LYS X 455 5.941 5.672 -4.336 1.00 51.32 C ATOM 414 CE LYS X 455 7.445 5.897 -4.287 1.00 3.43 C ATOM 415 NZ LYS X 455 8.061 5.830 -5.641 1.00 10.05 N ATOM 0 H LYS X 455 2.990 4.311 -0.982 1.00 25.33 H new ATOM 0 HA LYS X 455 5.404 2.936 -1.460 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.776 3.389 -3.216 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.917 5.118 -2.970 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.463 3.723 -3.606 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.265 3.711 -4.885 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.569 5.908 -5.333 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.447 6.353 -3.642 1.00 51.32 H new ATOM 0 HE2 LYS X 455 7.652 6.870 -3.842 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.903 5.147 -3.642 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.767 5.067 -5.664 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.323 5.641 -6.349 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 8.524 6.736 -5.857 1.00 10.05 H new ATOM 425 N LYS X 456 5.662 6.162 -0.833 1.00 23.55 N ATOM 426 CA LYS X 456 6.604 7.217 -0.481 1.00 51.54 C ATOM 427 C LYS X 456 7.398 6.844 0.767 1.00 23.14 C ATOM 428 O LYS X 456 8.586 7.151 0.875 1.00 54.11 O ATOM 429 CB LYS X 456 5.863 8.536 -0.251 1.00 65.35 C ATOM 430 CG LYS X 456 5.517 9.272 -1.535 1.00 12.34 C ATOM 431 CD LYS X 456 4.756 10.556 -1.254 1.00 41.13 C ATOM 432 CE LYS X 456 4.522 11.355 -2.526 1.00 35.30 C ATOM 433 NZ LYS X 456 5.669 12.252 -2.837 1.00 61.51 N ATOM 0 H LYS X 456 4.682 6.439 -0.786 1.00 23.55 H new ATOM 0 HA LYS X 456 7.300 7.338 -1.311 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.945 8.336 0.302 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.477 9.184 0.375 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.432 9.502 -2.081 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.917 8.625 -2.176 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.798 10.319 -0.791 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.314 11.162 -0.540 1.00 41.13 H new ATOM 0 HE2 LYS X 456 4.359 10.671 -3.359 1.00 35.30 H new ATOM 0 HE3 LYS X 456 3.615 11.950 -2.420 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 5.470 12.779 -3.711 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 5.809 12.921 -2.053 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 6.530 11.683 -2.964 1.00 61.51 H new ATOM 443 N ARG X 457 6.735 6.179 1.708 1.00 71.11 N ATOM 444 CA ARG X 457 7.379 5.764 2.948 1.00 35.12 C ATOM 445 C ARG X 457 8.423 4.683 2.683 1.00 55.14 C ATOM 446 O ARG X 457 9.554 4.768 3.161 1.00 20.31 O ATOM 447 CB ARG X 457 6.336 5.248 3.941 1.00 21.50 C ATOM 448 CG ARG X 457 5.604 6.354 4.684 1.00 50.23 C ATOM 449 CD ARG X 457 6.360 6.780 5.934 1.00 12.04 C ATOM 450 NE ARG X 457 5.528 7.575 6.832 1.00 20.01 N ATOM 451 CZ ARG X 457 5.185 8.836 6.593 1.00 74.42 C ATOM 452 NH1 ARG X 457 5.599 9.441 5.489 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.424 9.493 7.460 1.00 51.31 N ATOM 0 H ARG X 457 5.752 5.916 1.635 1.00 71.11 H new ATOM 0 HA ARG X 457 7.880 6.632 3.376 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.608 4.638 3.406 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.827 4.598 4.665 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.475 7.213 4.025 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.607 6.011 4.960 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.718 5.895 6.460 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.239 7.358 5.647 1.00 12.04 H new ATOM 0 HE ARG X 457 5.191 7.138 7.690 1.00 20.01 H new ATOM 0 HH11 ARG X 457 6.183 8.938 4.820 1.00 71.32 H new ATOM 0 HH12 ARG X 457 5.334 10.409 5.308 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.103 9.030 8.310 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.161 10.461 7.276 1.00 51.31 H new ATOM 464 N ILE X 458 8.034 3.667 1.919 1.00 20.05 N ATOM 465 CA ILE X 458 8.936 2.570 1.591 1.00 63.42 C ATOM 466 C ILE X 458 10.169 3.075 0.848 1.00 45.00 C ATOM 467 O ILE X 458 11.301 2.786 1.234 1.00 10.42 O ATOM 468 CB ILE X 458 8.234 1.503 0.731 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.048 0.904 1.491 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.219 0.412 0.332 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.456 -0.036 2.604 1.00 74.53 C ATOM 0 H ILE X 458 7.101 3.581 1.516 1.00 20.05 H new ATOM 0 HA ILE X 458 9.243 2.120 2.535 1.00 63.42 H new ATOM 0 HB ILE X 458 7.859 1.977 -0.176 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.450 1.713 1.911 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.410 0.367 0.789 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.708 -0.335 -0.276 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.035 0.851 -0.242 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.620 -0.062 1.228 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.565 -0.422 3.099 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.029 -0.865 2.188 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.069 0.501 3.328 1.00 74.53 H new ATOM 482 N ILE X 459 9.939 3.833 -0.219 1.00 30.41 N ATOM 483 CA ILE X 459 11.031 4.382 -1.014 1.00 14.13 C ATOM 484 C ILE X 459 11.888 5.335 -0.188 1.00 54.12 C ATOM 485 O ILE X 459 13.109 5.380 -0.343 1.00 73.32 O ATOM 486 CB ILE X 459 10.504 5.128 -2.255 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.660 5.482 -3.192 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.749 6.381 -1.838 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.314 5.343 -4.658 1.00 14.20 C ATOM 0 H ILE X 459 9.008 4.081 -0.553 1.00 30.41 H new ATOM 0 HA ILE X 459 11.640 3.538 -1.338 1.00 14.13 H new ATOM 0 HB ILE X 459 9.815 4.474 -2.790 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.974 6.507 -2.997 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.511 4.839 -2.965 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.383 6.897 -2.725 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.906 6.104 -1.205 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.417 7.041 -1.284 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.180 5.610 -5.263 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.028 4.312 -4.868 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.484 6.006 -4.900 1.00 14.20 H new ATOM 500 N GLU X 460 11.241 6.094 0.691 1.00 70.03 N ATOM 501 CA GLU X 460 11.945 7.045 1.542 1.00 55.24 C ATOM 502 C GLU X 460 12.913 6.325 2.478 1.00 12.02 C ATOM 503 O GLU X 460 14.091 6.673 2.557 1.00 12.20 O ATOM 504 CB GLU X 460 10.948 7.868 2.359 1.00 64.30 C ATOM 505 CG GLU X 460 11.597 8.713 3.442 1.00 23.33 C ATOM 506 CD GLU X 460 10.725 9.874 3.878 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.745 9.636 4.615 1.00 74.02 O ATOM 508 OE2 GLU X 460 11.023 11.020 3.484 1.00 44.32 O ATOM 0 H GLU X 460 10.231 6.069 0.832 1.00 70.03 H new ATOM 0 HA GLU X 460 12.517 7.714 0.899 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.391 8.520 1.686 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.226 7.194 2.820 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.817 8.084 4.305 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.550 9.096 3.076 1.00 23.33 H new ATOM 513 N ALA X 461 12.407 5.320 3.185 1.00 23.10 N ATOM 514 CA ALA X 461 13.226 4.550 4.113 1.00 30.24 C ATOM 515 C ALA X 461 14.377 3.862 3.388 1.00 45.21 C ATOM 516 O ALA X 461 15.516 3.875 3.857 1.00 60.24 O ATOM 517 CB ALA X 461 12.371 3.526 4.845 1.00 43.23 C ATOM 0 H ALA X 461 11.434 5.020 3.133 1.00 23.10 H new ATOM 0 HA ALA X 461 13.652 5.239 4.842 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.995 2.958 5.535 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.587 4.038 5.403 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.918 2.847 4.122 1.00 43.23 H new ATOM 523 N LEU X 462 14.074 3.260 2.244 1.00 41.14 N ATOM 524 CA LEU X 462 15.085 2.564 1.454 1.00 32.12 C ATOM 525 C LEU X 462 16.227 3.504 1.083 1.00 23.05 C ATOM 526 O LEU X 462 17.391 3.218 1.356 1.00 51.52 O ATOM 527 CB LEU X 462 14.457 1.980 0.187 1.00 22.31 C ATOM 528 CG LEU X 462 13.815 0.599 0.331 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.854 0.336 -0.816 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.885 -0.482 0.393 1.00 72.43 C ATOM 0 H LEU X 462 13.137 3.239 1.842 1.00 41.14 H new ATOM 0 HA LEU X 462 15.489 1.752 2.059 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.699 2.676 -0.172 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.227 1.922 -0.583 1.00 22.31 H new ATOM 0 HG LEU X 462 13.250 0.576 1.263 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.407 -0.651 -0.697 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.069 1.093 -0.814 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.395 0.377 -1.761 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.411 -1.458 0.495 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.477 -0.461 -0.522 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.534 -0.302 1.250 1.00 72.43 H new ATOM 541 N GLU X 463 15.883 4.626 0.458 1.00 4.01 N ATOM 542 CA GLU X 463 16.881 5.609 0.051 1.00 14.12 C ATOM 543 C GLU X 463 17.688 6.096 1.252 1.00 33.23 C ATOM 544 O GLU X 463 18.897 6.308 1.157 1.00 3.32 O ATOM 545 CB GLU X 463 16.208 6.796 -0.641 1.00 41.55 C ATOM 546 CG GLU X 463 15.399 6.407 -1.867 1.00 22.34 C ATOM 547 CD GLU X 463 16.083 6.794 -3.164 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.326 6.918 -3.164 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.377 6.973 -4.178 1.00 1.41 O ATOM 0 H GLU X 463 14.923 4.877 0.223 1.00 4.01 H new ATOM 0 HA GLU X 463 17.562 5.127 -0.651 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.553 7.298 0.072 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.972 7.516 -0.934 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.228 5.331 -1.858 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.421 6.886 -1.819 1.00 22.34 H new ATOM 554 N LYS X 464 17.009 6.272 2.380 1.00 23.51 N ATOM 555 CA LYS X 464 17.660 6.733 3.600 1.00 44.12 C ATOM 556 C LYS X 464 18.537 5.637 4.197 1.00 71.21 C ATOM 557 O LYS X 464 19.487 5.917 4.929 1.00 34.14 O ATOM 558 CB LYS X 464 16.612 7.178 4.624 1.00 41.33 C ATOM 559 CG LYS X 464 15.912 8.474 4.254 1.00 1.43 C ATOM 560 CD LYS X 464 14.592 8.624 4.992 1.00 74.45 C ATOM 561 CE LYS X 464 14.804 9.097 6.422 1.00 13.32 C ATOM 562 NZ LYS X 464 15.348 10.482 6.475 1.00 54.43 N ATOM 0 H LYS X 464 16.008 6.102 2.475 1.00 23.51 H new ATOM 0 HA LYS X 464 18.294 7.582 3.345 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.866 6.391 4.734 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.093 7.299 5.595 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.560 9.319 4.489 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.734 8.499 3.179 1.00 1.43 H new ATOM 0 HD2 LYS X 464 13.957 9.334 4.463 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.066 7.669 4.998 1.00 74.45 H new ATOM 0 HE2 LYS X 464 13.857 9.058 6.961 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.489 8.419 6.931 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 15.151 10.897 7.408 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 16.376 10.458 6.317 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 14.898 11.060 5.737 1.00 54.43 H new ATOM 572 N THR X 465 18.212 4.387 3.880 1.00 13.11 N ATOM 573 CA THR X 465 18.969 3.249 4.384 1.00 52.11 C ATOM 574 C THR X 465 20.062 2.838 3.404 1.00 75.51 C ATOM 575 O THR X 465 20.946 2.050 3.738 1.00 65.34 O ATOM 576 CB THR X 465 18.055 2.040 4.652 1.00 42.21 C ATOM 577 OG1 THR X 465 17.290 1.734 3.481 1.00 52.14 O ATOM 578 CG2 THR X 465 17.116 2.319 5.818 1.00 61.42 C ATOM 0 H THR X 465 17.429 4.138 3.276 1.00 13.11 H new ATOM 0 HA THR X 465 19.426 3.564 5.322 1.00 52.11 H new ATOM 0 HB THR X 465 18.684 1.187 4.908 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.662 2.215 2.712 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.480 1.451 5.989 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.701 2.523 6.715 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.495 3.184 5.586 1.00 61.42 H new ATOM 586 N GLY X 466 19.995 3.378 2.191 1.00 31.45 N ATOM 587 CA GLY X 466 20.986 3.055 1.180 1.00 73.12 C ATOM 588 C GLY X 466 20.522 1.956 0.244 1.00 2.02 C ATOM 589 O GLY X 466 21.304 1.084 -0.138 1.00 72.31 O ATOM 0 H GLY X 466 19.273 4.033 1.890 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.214 3.949 0.600 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.911 2.747 1.668 1.00 73.12 H new ATOM 593 N TYR X 467 19.248 1.995 -0.126 1.00 22.12 N ATOM 594 CA TYR X 467 18.680 0.993 -1.019 1.00 42.34 C ATOM 595 C TYR X 467 18.796 -0.404 -0.416 1.00 41.45 C ATOM 596 O TYR X 467 19.329 -1.321 -1.041 1.00 0.12 O ATOM 597 CB TYR X 467 19.382 1.034 -2.378 1.00 12.11 C ATOM 598 CG TYR X 467 19.297 2.378 -3.064 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.066 2.964 -3.336 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.445 3.063 -3.439 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.983 4.192 -3.963 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.372 4.292 -4.065 1.00 24.43 C ATOM 603 CZ TYR X 467 19.139 4.852 -4.325 1.00 42.32 C ATOM 604 OH TYR X 467 19.061 6.076 -4.950 1.00 45.41 O ATOM 0 H TYR X 467 18.588 2.710 0.179 1.00 22.12 H new ATOM 0 HA TYR X 467 17.623 1.223 -1.156 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.431 0.770 -2.244 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.943 0.276 -3.027 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.159 2.450 -3.052 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.412 2.627 -3.238 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.019 4.633 -4.169 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.275 4.811 -4.349 1.00 24.43 H new ATOM 0 HH TYR X 467 18.535 6.692 -4.399 1.00 45.41 H new ATOM 613 N VAL X 468 18.291 -0.558 0.804 1.00 21.22 N ATOM 614 CA VAL X 468 18.335 -1.842 1.494 1.00 11.54 C ATOM 615 C VAL X 468 16.961 -2.223 2.034 1.00 22.10 C ATOM 616 O VAL X 468 16.388 -1.513 2.860 1.00 25.15 O ATOM 617 CB VAL X 468 19.345 -1.820 2.657 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.482 -3.204 3.272 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.695 -1.304 2.180 1.00 32.52 C ATOM 0 H VAL X 468 17.846 0.191 1.335 1.00 21.22 H new ATOM 0 HA VAL X 468 18.652 -2.584 0.762 1.00 11.54 H new ATOM 0 HB VAL X 468 18.973 -1.142 3.425 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.200 -3.168 4.092 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.514 -3.531 3.651 1.00 2.22 H new ATOM 0 HG13 VAL X 468 19.831 -3.906 2.515 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.397 -1.295 3.014 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.076 -1.955 1.393 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.581 -0.292 1.791 1.00 32.52 H new ATOM 629 N LYS X 469 16.439 -3.351 1.564 1.00 2.33 N ATOM 630 CA LYS X 469 15.133 -3.830 2.000 1.00 73.34 C ATOM 631 C LYS X 469 15.151 -4.182 3.486 1.00 0.52 C ATOM 632 O LYS X 469 14.224 -3.846 4.223 1.00 43.22 O ATOM 633 CB LYS X 469 14.716 -5.054 1.182 1.00 64.33 C ATOM 634 CG LYS X 469 14.185 -4.708 -0.199 1.00 65.33 C ATOM 635 CD LYS X 469 13.322 -5.827 -0.759 1.00 74.35 C ATOM 636 CE LYS X 469 13.417 -5.898 -2.276 1.00 63.33 C ATOM 637 NZ LYS X 469 14.652 -6.602 -2.720 1.00 50.11 N ATOM 0 H LYS X 469 16.901 -3.951 0.881 1.00 2.33 H new ATOM 0 HA LYS X 469 14.409 -3.030 1.841 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.573 -5.720 1.077 1.00 64.33 H new ATOM 0 HB3 LYS X 469 13.950 -5.604 1.730 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.602 -3.789 -0.146 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.019 -4.518 -0.874 1.00 65.33 H new ATOM 0 HD2 LYS X 469 13.634 -6.779 -0.329 1.00 74.35 H new ATOM 0 HD3 LYS X 469 12.284 -5.669 -0.465 1.00 74.35 H new ATOM 0 HE2 LYS X 469 12.542 -6.414 -2.671 1.00 63.33 H new ATOM 0 HE3 LYS X 469 13.405 -4.889 -2.689 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 14.769 -6.484 -3.747 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 15.476 -6.200 -2.229 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 14.575 -7.614 -2.494 1.00 50.11 H new ATOM 647 N SER X 470 16.212 -4.856 3.916 1.00 71.13 N ATOM 648 CA SER X 470 16.349 -5.253 5.313 1.00 51.22 C ATOM 649 C SER X 470 16.304 -4.036 6.232 1.00 51.22 C ATOM 650 O SER X 470 15.521 -3.990 7.181 1.00 14.32 O ATOM 651 CB SER X 470 17.659 -6.016 5.522 1.00 52.44 C ATOM 652 OG SER X 470 17.612 -6.794 6.705 1.00 5.24 O ATOM 0 H SER X 470 16.989 -5.139 3.318 1.00 71.13 H new ATOM 0 HA SER X 470 15.512 -5.905 5.563 1.00 51.22 H new ATOM 0 HB2 SER X 470 17.848 -6.662 4.665 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.489 -5.312 5.579 1.00 52.44 H new ATOM 0 HG SER X 470 18.460 -7.273 6.815 1.00 5.24 H new ATOM 657 N ARG X 471 17.149 -3.052 5.942 1.00 75.24 N ATOM 658 CA ARG X 471 17.207 -1.834 6.742 1.00 11.02 C ATOM 659 C ARG X 471 15.911 -1.040 6.618 1.00 64.24 C ATOM 660 O ARG X 471 15.415 -0.484 7.597 1.00 23.30 O ATOM 661 CB ARG X 471 18.391 -0.970 6.307 1.00 3.34 C ATOM 662 CG ARG X 471 19.744 -1.610 6.575 1.00 74.42 C ATOM 663 CD ARG X 471 20.823 -1.031 5.674 1.00 11.42 C ATOM 664 NE ARG X 471 21.837 -2.023 5.326 1.00 42.13 N ATOM 665 CZ ARG X 471 22.841 -2.360 6.127 1.00 73.44 C ATOM 666 NH1 ARG X 471 22.966 -1.788 7.316 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.723 -3.272 5.739 1.00 13.40 N ATOM 0 H ARG X 471 17.803 -3.074 5.159 1.00 75.24 H new ATOM 0 HA ARG X 471 17.339 -2.120 7.786 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.303 -0.759 5.241 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.342 -0.013 6.827 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.019 -1.457 7.619 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.676 -2.686 6.417 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.366 -0.645 4.763 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.298 -0.187 6.174 1.00 11.42 H new ATOM 0 HE ARG X 471 21.770 -2.482 4.418 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.290 -1.087 7.618 1.00 54.24 H new ATOM 0 HH12 ARG X 471 23.738 -2.049 7.929 1.00 54.24 H new ATOM 0 HH21 ARG X 471 23.630 -3.715 4.825 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.494 -3.530 6.355 1.00 13.40 H new ATOM 678 N ALA X 472 15.367 -0.989 5.405 1.00 63.50 N ATOM 679 CA ALA X 472 14.129 -0.265 5.153 1.00 51.02 C ATOM 680 C ALA X 472 12.957 -0.906 5.889 1.00 14.44 C ATOM 681 O ALA X 472 12.038 -0.217 6.331 1.00 62.31 O ATOM 682 CB ALA X 472 13.847 -0.205 3.659 1.00 12.21 C ATOM 0 H ALA X 472 15.766 -1.441 4.582 1.00 63.50 H new ATOM 0 HA ALA X 472 14.249 0.751 5.530 1.00 51.02 H new ATOM 0 HB1 ALA X 472 12.919 0.339 3.486 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.667 0.306 3.154 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.753 -1.217 3.265 1.00 12.21 H new ATOM 688 N ALA X 473 12.997 -2.228 6.016 1.00 33.12 N ATOM 689 CA ALA X 473 11.939 -2.962 6.700 1.00 5.31 C ATOM 690 C ALA X 473 12.002 -2.740 8.207 1.00 1.25 C ATOM 691 O ALA X 473 11.011 -2.364 8.832 1.00 50.13 O ATOM 692 CB ALA X 473 12.034 -4.447 6.379 1.00 61.31 C ATOM 0 H ALA X 473 13.750 -2.813 5.654 1.00 33.12 H new ATOM 0 HA ALA X 473 10.981 -2.585 6.343 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.238 -4.983 6.896 1.00 61.31 H new ATOM 0 HB2 ALA X 473 11.931 -4.594 5.304 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.001 -4.829 6.707 1.00 61.31 H new ATOM 698 N LYS X 474 13.175 -2.975 8.786 1.00 62.03 N ATOM 699 CA LYS X 474 13.368 -2.800 10.221 1.00 24.40 C ATOM 700 C LYS X 474 13.152 -1.346 10.625 1.00 54.40 C ATOM 701 O LYS X 474 12.680 -1.062 11.728 1.00 74.45 O ATOM 702 CB LYS X 474 14.775 -3.249 10.625 1.00 34.32 C ATOM 703 CG LYS X 474 15.881 -2.560 9.844 1.00 3.21 C ATOM 704 CD LYS X 474 16.302 -1.258 10.505 1.00 54.32 C ATOM 705 CE LYS X 474 17.780 -1.266 10.861 1.00 20.00 C ATOM 706 NZ LYS X 474 18.066 -0.439 12.065 1.00 3.13 N ATOM 0 H LYS X 474 14.006 -3.287 8.284 1.00 62.03 H new ATOM 0 HA LYS X 474 12.633 -3.416 10.739 1.00 24.40 H new ATOM 0 HB2 LYS X 474 14.918 -3.056 11.688 1.00 34.32 H new ATOM 0 HB3 LYS X 474 14.858 -4.326 10.483 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.741 -3.225 9.766 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.540 -2.360 8.828 1.00 3.21 H new ATOM 0 HD2 LYS X 474 16.093 -0.424 9.835 1.00 54.32 H new ATOM 0 HD3 LYS X 474 15.710 -1.099 11.407 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.105 -2.291 11.039 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.359 -0.891 10.017 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.084 -0.471 12.274 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 17.780 0.545 11.886 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 17.534 -0.812 12.877 1.00 3.13 H new ATOM 716 N LEU X 475 13.497 -0.429 9.729 1.00 10.44 N ATOM 717 CA LEU X 475 13.339 0.997 9.992 1.00 74.31 C ATOM 718 C LEU X 475 11.868 1.399 9.946 1.00 24.12 C ATOM 719 O LEU X 475 11.360 2.042 10.867 1.00 74.13 O ATOM 720 CB LEU X 475 14.135 1.816 8.975 1.00 52.05 C ATOM 721 CG LEU X 475 14.393 3.277 9.343 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.536 3.842 8.514 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.131 4.106 9.152 1.00 53.02 C ATOM 0 H LEU X 475 13.888 -0.647 8.813 1.00 10.44 H new ATOM 0 HA LEU X 475 13.722 1.201 10.992 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.096 1.327 8.817 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.605 1.790 8.023 1.00 52.05 H new ATOM 0 HG LEU X 475 14.677 3.323 10.394 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.705 4.883 8.790 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.441 3.265 8.702 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.281 3.784 7.456 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.333 5.143 9.419 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.816 4.054 8.110 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.339 3.715 9.790 1.00 53.02 H new ATOM 734 N LEU X 476 11.188 1.015 8.872 1.00 14.12 N ATOM 735 CA LEU X 476 9.775 1.333 8.707 1.00 2.33 C ATOM 736 C LEU X 476 8.931 0.634 9.767 1.00 41.31 C ATOM 737 O LEU X 476 8.011 1.224 10.332 1.00 65.41 O ATOM 738 CB LEU X 476 9.300 0.925 7.310 1.00 21.22 C ATOM 739 CG LEU X 476 9.780 1.803 6.155 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.747 1.029 4.846 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.931 3.063 6.053 1.00 71.10 C ATOM 0 H LEU X 476 11.593 0.483 8.102 1.00 14.12 H new ATOM 0 HA LEU X 476 9.655 2.410 8.826 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.626 -0.098 7.122 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.210 0.918 7.306 1.00 21.22 H new ATOM 0 HG LEU X 476 10.810 2.098 6.353 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.092 1.671 4.035 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.398 0.158 4.922 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.727 0.703 4.642 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.287 3.676 5.225 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.891 2.788 5.879 1.00 71.10 H new ATOM 0 HD23 LEU X 476 9.006 3.629 6.982 1.00 71.10 H new ATOM 752 N GLY X 477 9.253 -0.629 10.035 1.00 45.23 N ATOM 753 CA GLY X 477 8.517 -1.387 11.029 1.00 22.13 C ATOM 754 C GLY X 477 7.828 -2.601 10.439 1.00 61.31 C ATOM 755 O GLY X 477 6.894 -3.142 11.031 1.00 35.21 O ATOM 0 H GLY X 477 10.010 -1.140 9.581 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.200 -1.707 11.816 1.00 22.13 H new ATOM 0 HA3 GLY X 477 7.773 -0.742 11.496 1.00 22.13 H new ATOM 759 N TYR X 478 8.287 -3.029 9.269 1.00 41.35 N ATOM 760 CA TYR X 478 7.705 -4.184 8.595 1.00 51.13 C ATOM 761 C TYR X 478 8.745 -5.284 8.404 1.00 65.31 C ATOM 762 O TYR X 478 9.950 -5.037 8.483 1.00 40.51 O ATOM 763 CB TYR X 478 7.125 -3.773 7.241 1.00 71.43 C ATOM 764 CG TYR X 478 6.298 -2.508 7.295 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.400 -2.285 8.330 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.418 -1.536 6.310 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.643 -1.132 8.384 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.665 -0.378 6.355 1.00 51.13 C ATOM 769 CZ TYR X 478 4.778 -0.181 7.394 1.00 63.32 C ATOM 770 OH TYR X 478 4.026 0.971 7.444 1.00 43.33 O ATOM 0 H TYR X 478 9.061 -2.594 8.767 1.00 41.35 H new ATOM 0 HA TYR X 478 6.903 -4.573 9.222 1.00 51.13 H new ATOM 0 HB2 TYR X 478 7.942 -3.633 6.533 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.507 -4.585 6.858 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.292 -3.027 9.107 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.111 -1.688 5.496 1.00 30.21 H new ATOM 0 HE1 TYR X 478 3.949 -0.975 9.197 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.770 0.369 5.582 1.00 51.13 H new ATOM 0 HH TYR X 478 4.242 1.536 6.673 1.00 43.33 H new ATOM 779 N THR X 479 8.272 -6.500 8.149 1.00 31.11 N ATOM 780 CA THR X 479 9.158 -7.639 7.946 1.00 32.34 C ATOM 781 C THR X 479 9.563 -7.766 6.481 1.00 71.23 C ATOM 782 O THR X 479 8.948 -7.160 5.602 1.00 3.54 O ATOM 783 CB THR X 479 8.497 -8.953 8.400 1.00 31.32 C ATOM 784 OG1 THR X 479 9.379 -10.055 8.157 1.00 41.35 O ATOM 785 CG2 THR X 479 7.182 -9.179 7.669 1.00 33.32 C ATOM 0 H THR X 479 7.279 -6.721 8.078 1.00 31.11 H new ATOM 0 HA THR X 479 10.046 -7.460 8.552 1.00 32.34 H new ATOM 0 HB THR X 479 8.293 -8.880 9.468 1.00 31.32 H new ATOM 0 HG1 THR X 479 8.952 -10.887 8.450 1.00 41.35 H new ATOM 0 HG21 THR X 479 6.734 -10.114 8.007 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.502 -8.354 7.880 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.367 -9.232 6.596 1.00 33.32 H new ATOM 793 N LEU X 480 10.599 -8.557 6.225 1.00 51.22 N ATOM 794 CA LEU X 480 11.085 -8.764 4.866 1.00 73.24 C ATOM 795 C LEU X 480 9.941 -9.140 3.929 1.00 73.11 C ATOM 796 O LEU X 480 9.912 -8.723 2.772 1.00 12.40 O ATOM 797 CB LEU X 480 12.154 -9.858 4.847 1.00 54.35 C ATOM 798 CG LEU X 480 12.530 -10.406 3.471 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.162 -9.317 2.617 1.00 10.34 C ATOM 800 CD2 LEU X 480 13.473 -11.593 3.608 1.00 24.30 C ATOM 0 H LEU X 480 11.118 -9.065 6.941 1.00 51.22 H new ATOM 0 HA LEU X 480 11.523 -7.829 4.517 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.055 -9.465 5.318 1.00 54.35 H new ATOM 0 HB3 LEU X 480 11.807 -10.687 5.464 1.00 54.35 H new ATOM 0 HG LEU X 480 11.620 -10.746 2.976 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.423 -9.726 1.641 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.454 -8.498 2.490 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.062 -8.946 3.108 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.730 -11.970 2.618 1.00 24.30 H new ATOM 0 HD22 LEU X 480 14.381 -11.279 4.123 1.00 24.30 H new ATOM 0 HD23 LEU X 480 12.985 -12.381 4.181 1.00 24.30 H new ATOM 811 N ARG X 481 9.000 -9.928 4.439 1.00 60.01 N ATOM 812 CA ARG X 481 7.854 -10.359 3.649 1.00 5.23 C ATOM 813 C ARG X 481 6.959 -9.173 3.298 1.00 63.40 C ATOM 814 O ARG X 481 6.609 -8.972 2.136 1.00 34.21 O ATOM 815 CB ARG X 481 7.048 -11.411 4.413 1.00 22.32 C ATOM 816 CG ARG X 481 6.191 -12.290 3.516 1.00 15.42 C ATOM 817 CD ARG X 481 7.038 -13.279 2.732 1.00 33.20 C ATOM 818 NE ARG X 481 7.318 -14.489 3.499 1.00 11.02 N ATOM 819 CZ ARG X 481 8.107 -15.467 3.067 1.00 23.35 C ATOM 820 NH1 ARG X 481 8.690 -15.377 1.880 1.00 64.23 N ATOM 821 NH2 ARG X 481 8.313 -16.537 3.823 1.00 54.34 N ATOM 0 H ARG X 481 9.009 -10.281 5.396 1.00 60.01 H new ATOM 0 HA ARG X 481 8.226 -10.798 2.723 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.734 -12.042 4.978 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.406 -10.910 5.137 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.465 -12.832 4.122 1.00 15.42 H new ATOM 0 HG3 ARG X 481 5.626 -11.665 2.825 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.523 -13.546 1.809 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.977 -12.805 2.447 1.00 33.20 H new ATOM 0 HE ARG X 481 6.884 -14.589 4.417 1.00 11.02 H new ATOM 0 HH11 ARG X 481 8.533 -14.556 1.296 1.00 64.23 H new ATOM 0 HH12 ARG X 481 9.295 -16.129 1.551 1.00 64.23 H new ATOM 0 HH21 ARG X 481 7.866 -16.610 4.737 1.00 54.34 H new ATOM 0 HH22 ARG X 481 8.919 -17.287 3.491 1.00 54.34 H new ATOM 832 N GLN X 482 6.594 -8.394 4.310 1.00 43.45 N ATOM 833 CA GLN X 482 5.740 -7.230 4.108 1.00 74.43 C ATOM 834 C GLN X 482 6.401 -6.226 3.169 1.00 15.22 C ATOM 835 O GLN X 482 5.820 -5.832 2.156 1.00 24.12 O ATOM 836 CB GLN X 482 5.426 -6.562 5.448 1.00 61.30 C ATOM 837 CG GLN X 482 4.471 -7.362 6.318 1.00 11.44 C ATOM 838 CD GLN X 482 3.208 -7.763 5.582 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.203 -8.724 4.811 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.127 -7.028 5.815 1.00 62.51 N ATOM 0 H GLN X 482 6.876 -8.547 5.278 1.00 43.45 H new ATOM 0 HA GLN X 482 4.810 -7.569 3.652 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.357 -6.406 5.993 1.00 61.30 H new ATOM 0 HB3 GLN X 482 4.997 -5.578 5.262 1.00 61.30 H new ATOM 0 HG2 GLN X 482 4.977 -8.258 6.678 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.204 -6.772 7.195 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.175 -6.240 6.461 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.248 -7.251 5.348 1.00 62.51 H new ATOM 847 N LEU X 483 7.617 -5.817 3.510 1.00 30.43 N ATOM 848 CA LEU X 483 8.358 -4.858 2.697 1.00 23.25 C ATOM 849 C LEU X 483 8.453 -5.330 1.250 1.00 43.34 C ATOM 850 O LEU X 483 8.116 -4.594 0.322 1.00 12.42 O ATOM 851 CB LEU X 483 9.761 -4.649 3.270 1.00 32.11 C ATOM 852 CG LEU X 483 10.524 -3.432 2.748 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.471 -2.294 3.757 1.00 33.51 C ATOM 854 CD2 LEU X 483 11.967 -3.801 2.435 1.00 65.25 C ATOM 0 H LEU X 483 8.112 -6.134 4.344 1.00 30.43 H new ATOM 0 HA LEU X 483 7.820 -3.910 2.717 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.680 -4.565 4.354 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.353 -5.540 3.063 1.00 32.11 H new ATOM 0 HG LEU X 483 10.047 -3.097 1.827 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.020 -1.437 3.367 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.433 -2.011 3.932 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.922 -2.618 4.695 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.495 -2.922 2.065 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.455 -4.163 3.340 1.00 65.25 H new ATOM 0 HD23 LEU X 483 11.986 -4.583 1.676 1.00 65.25 H new ATOM 865 N ASP X 484 8.912 -6.563 1.065 1.00 4.40 N ATOM 866 CA ASP X 484 9.048 -7.136 -0.270 1.00 74.33 C ATOM 867 C ASP X 484 7.735 -7.036 -1.040 1.00 23.13 C ATOM 868 O ASP X 484 7.715 -6.630 -2.203 1.00 2.41 O ATOM 869 CB ASP X 484 9.491 -8.596 -0.178 1.00 53.22 C ATOM 870 CG ASP X 484 9.832 -9.184 -1.534 1.00 43.05 C ATOM 871 OD1 ASP X 484 8.904 -9.630 -2.238 1.00 12.45 O ATOM 872 OD2 ASP X 484 11.030 -9.197 -1.890 1.00 13.14 O ATOM 0 H ASP X 484 9.196 -7.185 1.822 1.00 4.40 H new ATOM 0 HA ASP X 484 9.807 -6.568 -0.808 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.361 -8.668 0.475 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.697 -9.185 0.281 1.00 53.22 H new ATOM 876 N TYR X 485 6.641 -7.410 -0.387 1.00 62.24 N ATOM 877 CA TYR X 485 5.324 -7.367 -1.011 1.00 54.52 C ATOM 878 C TYR X 485 4.992 -5.955 -1.483 1.00 35.33 C ATOM 879 O TYR X 485 4.368 -5.770 -2.528 1.00 43.32 O ATOM 880 CB TYR X 485 4.256 -7.854 -0.031 1.00 42.42 C ATOM 881 CG TYR X 485 3.073 -8.514 -0.703 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.232 -9.677 -1.448 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.797 -7.976 -0.595 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.155 -10.283 -2.065 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.715 -8.576 -1.207 1.00 35.54 C ATOM 886 CZ TYR X 485 0.898 -9.729 -1.941 1.00 72.11 C ATOM 887 OH TYR X 485 -0.178 -10.330 -2.553 1.00 32.54 O ATOM 0 H TYR X 485 6.640 -7.747 0.576 1.00 62.24 H new ATOM 0 HA TYR X 485 5.339 -8.027 -1.878 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.709 -8.560 0.665 1.00 42.42 H new ATOM 0 HB3 TYR X 485 3.903 -7.008 0.558 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.215 -10.114 -1.546 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.649 -7.072 -0.022 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.296 -11.185 -2.641 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.270 -8.144 -1.111 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.990 -9.815 -2.366 1.00 32.54 H new ATOM 896 N ARG X 486 5.413 -4.964 -0.705 1.00 30.20 N ATOM 897 CA ARG X 486 5.161 -3.568 -1.043 1.00 23.23 C ATOM 898 C ARG X 486 6.017 -3.131 -2.228 1.00 23.24 C ATOM 899 O ARG X 486 5.563 -2.378 -3.090 1.00 73.10 O ATOM 900 CB ARG X 486 5.444 -2.670 0.163 1.00 32.34 C ATOM 901 CG ARG X 486 4.202 -2.312 0.962 1.00 43.42 C ATOM 902 CD ARG X 486 3.869 -3.388 1.986 1.00 11.40 C ATOM 903 NE ARG X 486 2.441 -3.431 2.288 1.00 15.11 N ATOM 904 CZ ARG X 486 1.940 -3.973 3.393 1.00 21.53 C ATOM 905 NH1 ARG X 486 2.747 -4.513 4.295 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.629 -3.974 3.597 1.00 1.14 N ATOM 0 H ARG X 486 5.930 -5.101 0.163 1.00 30.20 H new ATOM 0 HA ARG X 486 4.111 -3.472 -1.321 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.156 -3.171 0.819 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.920 -1.752 -0.182 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.357 -1.360 1.470 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.358 -2.179 0.285 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.189 -4.359 1.609 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.428 -3.202 2.903 1.00 11.40 H new ATOM 0 HE ARG X 486 1.793 -3.023 1.614 1.00 15.11 H new ATOM 0 HH11 ARG X 486 3.755 -4.513 4.142 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.360 -4.928 5.142 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.005 -3.559 2.905 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.245 -4.390 4.445 1.00 1.14 H new ATOM 917 N ILE X 487 7.257 -3.608 -2.263 1.00 12.05 N ATOM 918 CA ILE X 487 8.175 -3.267 -3.342 1.00 10.12 C ATOM 919 C ILE X 487 7.669 -3.792 -4.681 1.00 62.30 C ATOM 920 O ILE X 487 7.752 -3.107 -5.701 1.00 15.43 O ATOM 921 CB ILE X 487 9.585 -3.832 -3.082 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.176 -3.219 -1.811 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.489 -3.568 -4.276 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.219 -1.707 -1.833 1.00 35.13 C ATOM 0 H ILE X 487 7.648 -4.231 -1.557 1.00 12.05 H new ATOM 0 HA ILE X 487 8.229 -2.179 -3.378 1.00 10.12 H new ATOM 0 HB ILE X 487 9.510 -4.910 -2.941 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.588 -3.545 -0.953 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.187 -3.601 -1.669 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.481 -3.973 -4.078 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.072 -4.048 -5.161 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.563 -2.494 -4.446 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.650 -1.342 -0.901 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.831 -1.373 -2.671 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.208 -1.316 -1.943 1.00 35.13 H new ATOM 935 N LYS X 488 7.141 -5.011 -4.672 1.00 1.41 N ATOM 936 CA LYS X 488 6.617 -5.628 -5.884 1.00 43.53 C ATOM 937 C LYS X 488 5.287 -4.998 -6.284 1.00 53.44 C ATOM 938 O LYS X 488 5.021 -4.783 -7.467 1.00 72.22 O ATOM 939 CB LYS X 488 6.439 -7.134 -5.678 1.00 2.51 C ATOM 940 CG LYS X 488 5.533 -7.486 -4.510 1.00 3.34 C ATOM 941 CD LYS X 488 5.414 -8.989 -4.329 1.00 3.43 C ATOM 942 CE LYS X 488 4.802 -9.651 -5.555 1.00 41.43 C ATOM 943 NZ LYS X 488 4.201 -10.974 -5.230 1.00 22.33 N ATOM 0 H LYS X 488 7.065 -5.592 -3.837 1.00 1.41 H new ATOM 0 HA LYS X 488 7.334 -5.460 -6.687 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.030 -7.571 -6.589 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.417 -7.588 -5.518 1.00 2.51 H new ATOM 0 HG2 LYS X 488 5.925 -7.039 -3.597 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.544 -7.059 -4.674 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.400 -9.413 -4.139 1.00 3.43 H new ATOM 0 HD3 LYS X 488 4.801 -9.204 -3.454 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.037 -8.998 -5.976 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.568 -9.778 -6.319 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.795 -11.392 -6.091 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 4.936 -11.606 -4.852 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.452 -10.850 -4.519 1.00 22.33 H new ATOM 953 N LYS X 489 4.454 -4.704 -5.291 1.00 24.34 N ATOM 954 CA LYS X 489 3.153 -4.095 -5.539 1.00 21.32 C ATOM 955 C LYS X 489 3.307 -2.665 -6.045 1.00 63.33 C ATOM 956 O LYS X 489 2.646 -2.260 -7.001 1.00 53.33 O ATOM 957 CB LYS X 489 2.310 -4.106 -4.261 1.00 54.52 C ATOM 958 CG LYS X 489 1.277 -5.218 -4.223 1.00 54.51 C ATOM 959 CD LYS X 489 1.928 -6.589 -4.288 1.00 14.12 C ATOM 960 CE LYS X 489 0.903 -7.683 -4.542 1.00 62.31 C ATOM 961 NZ LYS X 489 1.550 -8.982 -4.878 1.00 3.10 N ATOM 0 H LYS X 489 4.657 -4.878 -4.307 1.00 24.34 H new ATOM 0 HA LYS X 489 2.648 -4.680 -6.307 1.00 21.32 H new ATOM 0 HB2 LYS X 489 2.971 -4.207 -3.400 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.802 -3.146 -4.162 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.688 -5.137 -3.309 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.586 -5.103 -5.058 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.677 -6.600 -5.080 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.451 -6.789 -3.353 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.277 -7.807 -3.658 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.246 -7.383 -5.358 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 0.851 -9.614 -5.318 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 2.335 -8.818 -5.541 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.916 -9.422 -4.010 1.00 3.10 H new ATOM 971 N TYR X 490 4.186 -1.905 -5.400 1.00 63.10 N ATOM 972 CA TYR X 490 4.426 -0.520 -5.785 1.00 65.13 C ATOM 973 C TYR X 490 5.510 -0.434 -6.856 1.00 43.30 C ATOM 974 O TYR X 490 5.821 0.648 -7.354 1.00 45.35 O ATOM 975 CB TYR X 490 4.832 0.308 -4.565 1.00 31.24 C ATOM 976 CG TYR X 490 3.743 0.426 -3.523 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.518 1.004 -3.835 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.938 -0.039 -2.229 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.519 1.115 -2.887 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.943 0.067 -1.275 1.00 30.22 C ATOM 981 CZ TYR X 490 1.737 0.645 -1.608 1.00 51.31 C ATOM 982 OH TYR X 490 0.744 0.754 -0.661 1.00 54.23 O ATOM 0 H TYR X 490 4.744 -2.225 -4.608 1.00 63.10 H new ATOM 0 HA TYR X 490 3.500 -0.118 -6.196 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.713 -0.142 -4.108 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.119 1.307 -4.894 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.344 1.373 -4.835 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.882 -0.491 -1.964 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.573 1.567 -3.146 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.110 -0.301 -0.274 1.00 30.22 H new ATOM 0 HH TYR X 490 0.387 -0.136 -0.457 1.00 54.23 H new ATOM 991 N GLY X 491 6.081 -1.581 -7.205 1.00 12.33 N ATOM 992 CA GLY X 491 7.123 -1.615 -8.215 1.00 73.13 C ATOM 993 C GLY X 491 8.230 -0.618 -7.939 1.00 70.25 C ATOM 994 O GLY X 491 8.686 0.081 -8.845 1.00 25.21 O ATOM 0 H GLY X 491 5.841 -2.489 -6.807 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.546 -2.619 -8.263 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.685 -1.406 -9.191 1.00 73.13 H new ATOM 998 N ILE X 492 8.663 -0.548 -6.684 1.00 33.34 N ATOM 999 CA ILE X 492 9.722 0.373 -6.292 1.00 12.35 C ATOM 1000 C ILE X 492 11.088 -0.142 -6.732 1.00 73.33 C ATOM 1001 O ILE X 492 11.290 -1.347 -6.884 1.00 45.43 O ATOM 1002 CB ILE X 492 9.738 0.596 -4.768 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.316 0.824 -4.250 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.632 1.776 -4.415 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.243 1.010 -2.750 1.00 21.21 C ATOM 0 H ILE X 492 8.296 -1.118 -5.922 1.00 33.34 H new ATOM 0 HA ILE X 492 9.516 1.321 -6.788 1.00 12.35 H new ATOM 0 HB ILE X 492 10.141 -0.296 -4.288 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.897 1.704 -4.738 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.694 -0.025 -4.534 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.633 1.921 -3.335 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.648 1.577 -4.756 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.256 2.676 -4.902 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.206 1.167 -2.453 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.632 0.121 -2.254 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.838 1.876 -2.461 1.00 21.21 H new ATOM 1016 N GLU X 493 12.025 0.779 -6.935 1.00 41.10 N ATOM 1017 CA GLU X 493 13.373 0.418 -7.358 1.00 52.04 C ATOM 1018 C GLU X 493 14.343 0.464 -6.181 1.00 43.33 C ATOM 1019 O GLU X 493 14.034 1.025 -5.128 1.00 63.45 O ATOM 1020 CB GLU X 493 13.854 1.358 -8.465 1.00 63.11 C ATOM 1021 CG GLU X 493 12.962 1.354 -9.697 1.00 11.52 C ATOM 1022 CD GLU X 493 13.083 2.629 -10.508 1.00 74.15 C ATOM 1023 OE1 GLU X 493 12.383 3.610 -10.179 1.00 70.23 O ATOM 1024 OE2 GLU X 493 13.875 2.646 -11.473 1.00 62.13 O ATOM 0 H GLU X 493 11.875 1.781 -6.813 1.00 41.10 H new ATOM 0 HA GLU X 493 13.344 -0.601 -7.744 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.910 2.372 -8.070 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.865 1.074 -8.758 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.221 0.502 -10.326 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.925 1.220 -9.390 1.00 11.52 H new ATOM 1029 N LEU X 494 15.516 -0.131 -6.365 1.00 43.24 N ATOM 1030 CA LEU X 494 16.532 -0.158 -5.319 1.00 63.34 C ATOM 1031 C LEU X 494 17.834 -0.758 -5.840 1.00 40.01 C ATOM 1032 O LEU X 494 17.829 -1.783 -6.522 1.00 44.25 O ATOM 1033 CB LEU X 494 16.033 -0.962 -4.117 1.00 33.12 C ATOM 1034 CG LEU X 494 16.121 -2.483 -4.242 1.00 10.03 C ATOM 1035 CD1 LEU X 494 15.802 -3.147 -2.913 1.00 24.23 C ATOM 1036 CD2 LEU X 494 15.183 -2.983 -5.331 1.00 15.11 C ATOM 0 H LEU X 494 15.787 -0.601 -7.229 1.00 43.24 H new ATOM 0 HA LEU X 494 16.725 0.869 -5.008 1.00 63.34 H new ATOM 0 HB2 LEU X 494 16.603 -0.656 -3.239 1.00 33.12 H new ATOM 0 HB3 LEU X 494 14.993 -0.693 -3.932 1.00 33.12 H new ATOM 0 HG LEU X 494 17.141 -2.748 -4.520 1.00 10.03 H new ATOM 0 HD11 LEU X 494 15.870 -4.229 -3.022 1.00 24.23 H new ATOM 0 HD12 LEU X 494 16.515 -2.813 -2.159 1.00 24.23 H new ATOM 0 HD13 LEU X 494 14.793 -2.876 -2.604 1.00 24.23 H new ATOM 0 HD21 LEU X 494 15.258 -4.068 -5.406 1.00 15.11 H new ATOM 0 HD22 LEU X 494 14.158 -2.707 -5.083 1.00 15.11 H new ATOM 0 HD23 LEU X 494 15.460 -2.533 -6.284 1.00 15.11 H new ATOM 1047 N LYS X 495 18.950 -0.113 -5.514 1.00 43.22 N ATOM 1048 CA LYS X 495 20.260 -0.584 -5.946 1.00 54.55 C ATOM 1049 C LYS X 495 20.899 -1.468 -4.880 1.00 21.15 C ATOM 1050 O LYS X 495 21.524 -0.974 -3.940 1.00 32.02 O ATOM 1051 CB LYS X 495 21.175 0.604 -6.254 1.00 21.55 C ATOM 1052 CG LYS X 495 20.947 1.205 -7.630 1.00 34.12 C ATOM 1053 CD LYS X 495 21.999 2.250 -7.964 1.00 41.32 C ATOM 1054 CE LYS X 495 21.701 3.579 -7.288 1.00 2.20 C ATOM 1055 NZ LYS X 495 20.569 4.292 -7.944 1.00 52.14 N ATOM 0 H LYS X 495 18.972 0.738 -4.952 1.00 43.22 H new ATOM 0 HA LYS X 495 20.126 -1.176 -6.851 1.00 54.55 H new ATOM 0 HB2 LYS X 495 21.021 1.376 -5.500 1.00 21.55 H new ATOM 0 HB3 LYS X 495 22.213 0.283 -6.174 1.00 21.55 H new ATOM 0 HG2 LYS X 495 20.967 0.415 -8.381 1.00 34.12 H new ATOM 0 HG3 LYS X 495 19.957 1.659 -7.670 1.00 34.12 H new ATOM 0 HD2 LYS X 495 22.980 1.893 -7.650 1.00 41.32 H new ATOM 0 HD3 LYS X 495 22.042 2.392 -9.044 1.00 41.32 H new ATOM 0 HE2 LYS X 495 21.463 3.407 -6.238 1.00 2.20 H new ATOM 0 HE3 LYS X 495 22.591 4.208 -7.314 1.00 2.20 H new ATOM 0 HZ1 LYS X 495 20.526 5.270 -7.594 1.00 52.14 H new ATOM 0 HZ2 LYS X 495 20.713 4.299 -8.974 1.00 52.14 H new ATOM 0 HZ3 LYS X 495 19.677 3.805 -7.723 1.00 52.14 H new ATOM 1065 N LYS X 496 20.741 -2.779 -5.031 1.00 11.13 N ATOM 1066 CA LYS X 496 21.305 -3.733 -4.083 1.00 1.23 C ATOM 1067 C LYS X 496 21.389 -5.126 -4.699 1.00 15.31 C ATOM 1068 O LYS X 496 20.435 -5.602 -5.314 1.00 74.41 O ATOM 1069 CB LYS X 496 20.459 -3.777 -2.809 1.00 74.42 C ATOM 1070 CG LYS X 496 20.848 -4.898 -1.860 1.00 55.24 C ATOM 1071 CD LYS X 496 22.268 -4.728 -1.349 1.00 53.12 C ATOM 1072 CE LYS X 496 22.362 -3.609 -0.324 1.00 61.32 C ATOM 1073 NZ LYS X 496 23.774 -3.312 0.046 1.00 24.42 N ATOM 0 H LYS X 496 20.226 -3.205 -5.802 1.00 11.13 H new ATOM 0 HA LYS X 496 22.313 -3.405 -3.831 1.00 1.23 H new ATOM 0 HB2 LYS X 496 20.550 -2.824 -2.289 1.00 74.42 H new ATOM 0 HB3 LYS X 496 19.410 -3.891 -3.083 1.00 74.42 H new ATOM 0 HG2 LYS X 496 20.157 -4.919 -1.017 1.00 55.24 H new ATOM 0 HG3 LYS X 496 20.756 -5.857 -2.371 1.00 55.24 H new ATOM 0 HD2 LYS X 496 22.609 -5.662 -0.902 1.00 53.12 H new ATOM 0 HD3 LYS X 496 22.933 -4.513 -2.185 1.00 53.12 H new ATOM 0 HE2 LYS X 496 21.895 -2.709 -0.725 1.00 61.32 H new ATOM 0 HE3 LYS X 496 21.803 -3.887 0.570 1.00 61.32 H new ATOM 0 HZ1 LYS X 496 23.795 -2.544 0.747 1.00 24.42 H new ATOM 0 HZ2 LYS X 496 24.213 -4.163 0.452 1.00 24.42 H new ATOM 0 HZ3 LYS X 496 24.301 -3.022 -0.802 1.00 24.42 H new ATOM 1083 N PHE X 497 22.536 -5.775 -4.527 1.00 40.43 N ATOM 1084 CA PHE X 497 22.744 -7.114 -5.066 1.00 75.40 C ATOM 1085 C PHE X 497 21.692 -8.083 -4.535 1.00 35.52 C ATOM 1086 O PHE X 497 21.034 -8.782 -5.305 1.00 20.55 O ATOM 1087 CB PHE X 497 24.144 -7.618 -4.710 1.00 73.03 C ATOM 1088 CG PHE X 497 25.200 -7.203 -5.694 1.00 45.00 C ATOM 1089 CD1 PHE X 497 25.318 -7.845 -6.915 1.00 13.40 C ATOM 1090 CD2 PHE X 497 26.074 -6.169 -5.397 1.00 50.40 C ATOM 1091 CE1 PHE X 497 26.288 -7.465 -7.824 1.00 11.54 C ATOM 1092 CE2 PHE X 497 27.046 -5.784 -6.302 1.00 41.24 C ATOM 1093 CZ PHE X 497 27.154 -6.434 -7.516 1.00 51.22 C ATOM 0 H PHE X 497 23.335 -5.396 -4.019 1.00 40.43 H new ATOM 0 HA PHE X 497 22.649 -7.061 -6.151 1.00 75.40 H new ATOM 0 HB2 PHE X 497 24.414 -7.247 -3.721 1.00 73.03 H new ATOM 0 HB3 PHE X 497 24.125 -8.706 -4.648 1.00 73.03 H new ATOM 0 HD1 PHE X 497 24.644 -8.652 -7.160 1.00 13.40 H new ATOM 0 HD2 PHE X 497 25.995 -5.659 -4.449 1.00 50.40 H new ATOM 0 HE1 PHE X 497 26.368 -7.974 -8.773 1.00 11.54 H new ATOM 0 HE2 PHE X 497 27.720 -4.976 -6.060 1.00 41.24 H new ATOM 0 HZ PHE X 497 27.914 -6.137 -8.223 1.00 51.22 H new TER 1102 PHE X 497