USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=16 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 Single : X 428 THR OG1 : rot 23:sc= 0.139 USER MOD Single : X 429 SER OG : rot 7:sc= 0.163! USER MOD Single : X 430 SER OG : rot 56:sc= 0.00814 USER MOD Single : X 438 LYS NZ :NH3+ 164:sc= -0.0202 (180deg=-0.224) 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+ 160:sc= -0.457 (180deg=-0.759) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 465 THR OG1 : rot 8:sc= 0.416 USER MOD Single : X 467 TYR OH : rot 49:sc= 1.1 USER MOD Single : X 469 LYS NZ :NH3+ -134:sc= 0.405 (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= -0.305 USER MOD Single : X 482 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.38) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -131:sc= -0.448 (180deg=-1.74!) USER MOD Single : X 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 490 TYR OH : rot 136:sc= -1.49 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 16.440 -11.004 -11.685 1.00 5.00 N ATOM 2 CA THR X 428 15.169 -11.669 -11.431 1.00 12.01 C ATOM 3 C THR X 428 14.008 -10.883 -12.030 1.00 30.04 C ATOM 4 O THR X 428 13.703 -9.774 -11.589 1.00 12.04 O ATOM 5 CB THR X 428 14.923 -11.855 -9.922 1.00 24.02 C ATOM 6 OG1 THR X 428 16.051 -12.500 -9.318 1.00 71.40 O ATOM 7 CG2 THR X 428 13.669 -12.679 -9.676 1.00 53.21 C ATOM 0 HA THR X 428 15.225 -12.649 -11.906 1.00 12.01 H new ATOM 0 HB THR X 428 14.785 -10.871 -9.474 1.00 24.02 H new ATOM 0 HG1 THR X 428 16.845 -12.360 -9.875 1.00 71.40 H new ATOM 0 HG21 THR X 428 13.516 -12.797 -8.603 1.00 53.21 H new ATOM 0 HG22 THR X 428 12.809 -12.171 -10.112 1.00 53.21 H new ATOM 0 HG23 THR X 428 13.782 -13.660 -10.136 1.00 53.21 H new ATOM 15 N SER X 429 13.363 -11.463 -13.037 1.00 22.44 N ATOM 16 CA SER X 429 12.237 -10.815 -13.698 1.00 32.13 C ATOM 17 C SER X 429 10.998 -10.836 -12.807 1.00 55.14 C ATOM 18 O SER X 429 10.608 -11.885 -12.293 1.00 1.53 O ATOM 19 CB SER X 429 11.934 -11.505 -15.029 1.00 32.21 C ATOM 20 OG SER X 429 11.197 -12.698 -14.830 1.00 61.33 O ATOM 0 H SER X 429 13.601 -12.381 -13.413 1.00 22.44 H new ATOM 0 HA SER X 429 12.508 -9.777 -13.889 1.00 32.13 H new ATOM 0 HB2 SER X 429 11.371 -10.829 -15.672 1.00 32.21 H new ATOM 0 HB3 SER X 429 12.867 -11.732 -15.545 1.00 32.21 H new ATOM 0 HG SER X 429 10.947 -12.774 -13.886 1.00 61.33 H new ATOM 25 N SER X 430 10.383 -9.671 -12.632 1.00 63.41 N ATOM 26 CA SER X 430 9.190 -9.554 -11.801 1.00 72.23 C ATOM 27 C SER X 430 7.931 -9.497 -12.662 1.00 21.21 C ATOM 28 O SER X 430 7.262 -8.468 -12.733 1.00 14.24 O ATOM 29 CB SER X 430 9.276 -8.305 -10.921 1.00 32.50 C ATOM 30 OG SER X 430 9.727 -7.186 -11.666 1.00 33.14 O ATOM 0 H SER X 430 10.691 -8.795 -13.054 1.00 63.41 H new ATOM 0 HA SER X 430 9.134 -10.436 -11.163 1.00 72.23 H new ATOM 0 HB2 SER X 430 8.297 -8.090 -10.493 1.00 32.50 H new ATOM 0 HB3 SER X 430 9.955 -8.489 -10.088 1.00 32.50 H new ATOM 0 HG SER X 430 9.144 -7.053 -12.442 1.00 33.14 H new ATOM 35 N GLU X 431 7.618 -10.613 -13.314 1.00 55.00 N ATOM 36 CA GLU X 431 6.441 -10.690 -14.170 1.00 42.22 C ATOM 37 C GLU X 431 5.296 -11.406 -13.459 1.00 20.45 C ATOM 38 O GLU X 431 5.515 -12.349 -12.698 1.00 73.30 O ATOM 39 CB GLU X 431 6.779 -11.416 -15.475 1.00 41.44 C ATOM 40 CG GLU X 431 7.717 -10.636 -16.380 1.00 32.03 C ATOM 41 CD GLU X 431 7.117 -9.326 -16.854 1.00 12.42 C ATOM 42 OE1 GLU X 431 5.875 -9.246 -16.952 1.00 75.10 O ATOM 43 OE2 GLU X 431 7.888 -8.383 -17.126 1.00 11.15 O ATOM 0 H GLU X 431 8.162 -11.474 -13.265 1.00 55.00 H new ATOM 0 HA GLU X 431 6.123 -9.673 -14.399 1.00 42.22 H new ATOM 0 HB2 GLU X 431 7.233 -12.378 -15.238 1.00 41.44 H new ATOM 0 HB3 GLU X 431 5.855 -11.623 -16.015 1.00 41.44 H new ATOM 0 HG2 GLU X 431 8.646 -10.434 -15.846 1.00 32.03 H new ATOM 0 HG3 GLU X 431 7.973 -11.248 -17.245 1.00 32.03 H new ATOM 48 N LEU X 432 4.073 -10.951 -13.712 1.00 34.30 N ATOM 49 CA LEU X 432 2.893 -11.548 -13.097 1.00 42.04 C ATOM 50 C LEU X 432 2.409 -12.752 -13.898 1.00 23.40 C ATOM 51 O LEU X 432 2.678 -12.881 -15.093 1.00 3.34 O ATOM 52 CB LEU X 432 1.773 -10.511 -12.987 1.00 52.42 C ATOM 53 CG LEU X 432 1.835 -9.582 -11.775 1.00 51.24 C ATOM 54 CD1 LEU X 432 1.688 -10.375 -10.486 1.00 52.35 C ATOM 55 CD2 LEU X 432 3.137 -8.795 -11.772 1.00 24.45 C ATOM 0 H LEU X 432 3.873 -10.171 -14.338 1.00 34.30 H new ATOM 0 HA LEU X 432 3.167 -11.888 -12.098 1.00 42.04 H new ATOM 0 HB2 LEU X 432 1.782 -9.899 -13.889 1.00 52.42 H new ATOM 0 HB3 LEU X 432 0.819 -11.037 -12.968 1.00 52.42 H new ATOM 0 HG LEU X 432 1.007 -8.876 -11.840 1.00 51.24 H new ATOM 0 HD11 LEU X 432 1.735 -9.697 -9.634 1.00 52.35 H new ATOM 0 HD12 LEU X 432 0.729 -10.893 -10.485 1.00 52.35 H new ATOM 0 HD13 LEU X 432 2.495 -11.104 -10.414 1.00 52.35 H new ATOM 0 HD21 LEU X 432 3.164 -8.139 -10.902 1.00 24.45 H new ATOM 0 HD22 LEU X 432 3.979 -9.485 -11.732 1.00 24.45 H new ATOM 0 HD23 LEU X 432 3.202 -8.196 -12.680 1.00 24.45 H new ATOM 66 N PRO X 433 1.679 -13.654 -13.228 1.00 12.24 N ATOM 67 CA PRO X 433 1.140 -14.863 -13.858 1.00 22.13 C ATOM 68 C PRO X 433 0.025 -14.552 -14.850 1.00 60.12 C ATOM 69 O PRO X 433 0.018 -15.061 -15.971 1.00 4.12 O ATOM 70 CB PRO X 433 0.594 -15.668 -12.676 1.00 11.51 C ATOM 71 CG PRO X 433 0.292 -14.649 -11.632 1.00 5.40 C ATOM 72 CD PRO X 433 1.320 -13.564 -11.802 1.00 52.10 C ATOM 0 HA PRO X 433 1.897 -15.391 -14.437 1.00 22.13 H new ATOM 0 HB2 PRO X 433 -0.300 -16.225 -12.956 1.00 11.51 H new ATOM 0 HB3 PRO X 433 1.325 -16.395 -12.321 1.00 11.51 H new ATOM 0 HG2 PRO X 433 -0.716 -14.253 -11.753 1.00 5.40 H new ATOM 0 HG3 PRO X 433 0.346 -15.085 -10.634 1.00 5.40 H new ATOM 0 HD2 PRO X 433 0.915 -12.584 -11.551 1.00 52.10 H new ATOM 0 HD3 PRO X 433 2.185 -13.726 -11.159 1.00 52.10 H new ATOM 77 N GLU X 434 -0.917 -13.712 -14.431 1.00 43.15 N ATOM 78 CA GLU X 434 -2.037 -13.333 -15.285 1.00 43.22 C ATOM 79 C GLU X 434 -2.162 -11.815 -15.377 1.00 63.42 C ATOM 80 O GLU X 434 -2.772 -11.178 -14.518 1.00 44.34 O ATOM 81 CB GLU X 434 -3.340 -13.932 -14.750 1.00 71.33 C ATOM 82 CG GLU X 434 -3.240 -15.414 -14.426 1.00 34.22 C ATOM 83 CD GLU X 434 -2.904 -16.255 -15.641 1.00 41.40 C ATOM 84 OE1 GLU X 434 -3.363 -15.908 -16.750 1.00 4.22 O ATOM 85 OE2 GLU X 434 -2.181 -17.261 -15.484 1.00 13.12 O ATOM 0 H GLU X 434 -0.927 -13.282 -13.506 1.00 43.15 H new ATOM 0 HA GLU X 434 -1.848 -13.726 -16.284 1.00 43.22 H new ATOM 0 HB2 GLU X 434 -3.637 -13.391 -13.851 1.00 71.33 H new ATOM 0 HB3 GLU X 434 -4.129 -13.782 -15.487 1.00 71.33 H new ATOM 0 HG2 GLU X 434 -2.477 -15.564 -13.662 1.00 34.22 H new ATOM 0 HG3 GLU X 434 -4.185 -15.754 -14.003 1.00 34.22 H new ATOM 90 N LEU X 435 -1.580 -11.242 -16.424 1.00 33.41 N ATOM 91 CA LEU X 435 -1.625 -9.799 -16.630 1.00 1.10 C ATOM 92 C LEU X 435 -3.044 -9.338 -16.948 1.00 42.22 C ATOM 93 O LEU X 435 -3.500 -8.307 -16.452 1.00 63.41 O ATOM 94 CB LEU X 435 -0.680 -9.395 -17.763 1.00 71.34 C ATOM 95 CG LEU X 435 0.778 -9.157 -17.368 1.00 13.23 C ATOM 96 CD1 LEU X 435 0.877 -8.034 -16.348 1.00 51.12 C ATOM 97 CD2 LEU X 435 1.399 -10.434 -16.821 1.00 41.23 C ATOM 0 H LEU X 435 -1.071 -11.755 -17.144 1.00 33.41 H new ATOM 0 HA LEU X 435 -1.303 -9.316 -15.707 1.00 1.10 H new ATOM 0 HB2 LEU X 435 -0.706 -10.173 -18.526 1.00 71.34 H new ATOM 0 HB3 LEU X 435 -1.064 -8.484 -18.223 1.00 71.34 H new ATOM 0 HG LEU X 435 1.332 -8.861 -18.259 1.00 13.23 H new ATOM 0 HD11 LEU X 435 1.922 -7.878 -16.078 1.00 51.12 H new ATOM 0 HD12 LEU X 435 0.472 -7.117 -16.776 1.00 51.12 H new ATOM 0 HD13 LEU X 435 0.308 -8.300 -15.457 1.00 51.12 H new ATOM 0 HD21 LEU X 435 2.436 -10.245 -16.545 1.00 41.23 H new ATOM 0 HD22 LEU X 435 0.844 -10.761 -15.942 1.00 41.23 H new ATOM 0 HD23 LEU X 435 1.362 -11.212 -17.583 1.00 41.23 H new ATOM 108 N LEU X 436 -3.739 -10.110 -17.777 1.00 10.10 N ATOM 109 CA LEU X 436 -5.108 -9.782 -18.160 1.00 54.32 C ATOM 110 C LEU X 436 -6.023 -9.753 -16.940 1.00 4.13 C ATOM 111 O LEU X 436 -6.950 -8.947 -16.866 1.00 23.03 O ATOM 112 CB LEU X 436 -5.630 -10.797 -19.179 1.00 2.34 C ATOM 113 CG LEU X 436 -6.806 -10.337 -20.042 1.00 51.35 C ATOM 114 CD1 LEU X 436 -6.810 -11.071 -21.373 1.00 70.33 C ATOM 115 CD2 LEU X 436 -8.121 -10.552 -19.308 1.00 70.22 C ATOM 0 H LEU X 436 -3.377 -10.967 -18.196 1.00 10.10 H new ATOM 0 HA LEU X 436 -5.105 -8.790 -18.612 1.00 54.32 H new ATOM 0 HB2 LEU X 436 -4.808 -11.075 -19.839 1.00 2.34 H new ATOM 0 HB3 LEU X 436 -5.929 -11.698 -18.644 1.00 2.34 H new ATOM 0 HG LEU X 436 -6.693 -9.271 -20.239 1.00 51.35 H new ATOM 0 HD11 LEU X 436 -7.654 -10.731 -21.974 1.00 70.33 H new ATOM 0 HD12 LEU X 436 -5.880 -10.866 -21.904 1.00 70.33 H new ATOM 0 HD13 LEU X 436 -6.899 -12.143 -21.197 1.00 70.33 H new ATOM 0 HD21 LEU X 436 -8.947 -10.219 -19.936 1.00 70.22 H new ATOM 0 HD22 LEU X 436 -8.242 -11.611 -19.081 1.00 70.22 H new ATOM 0 HD23 LEU X 436 -8.118 -9.980 -18.380 1.00 70.22 H new ATOM 126 N ARG X 437 -5.754 -10.637 -15.984 1.00 63.05 N ATOM 127 CA ARG X 437 -6.551 -10.712 -14.766 1.00 23.32 C ATOM 128 C ARG X 437 -6.449 -9.415 -13.968 1.00 23.54 C ATOM 129 O ARG X 437 -7.420 -8.973 -13.355 1.00 42.04 O ATOM 130 CB ARG X 437 -6.096 -11.891 -13.904 1.00 5.45 C ATOM 131 CG ARG X 437 -6.671 -13.226 -14.346 1.00 71.01 C ATOM 132 CD ARG X 437 -6.660 -14.239 -13.212 1.00 12.24 C ATOM 133 NE ARG X 437 -7.593 -13.881 -12.147 1.00 42.42 N ATOM 134 CZ ARG X 437 -8.910 -14.024 -12.247 1.00 44.34 C ATOM 135 NH1 ARG X 437 -9.446 -14.515 -13.355 1.00 31.32 N ATOM 136 NH2 ARG X 437 -9.694 -13.675 -11.234 1.00 3.22 N ATOM 0 H ARG X 437 -4.990 -11.311 -16.030 1.00 63.05 H new ATOM 0 HA ARG X 437 -7.592 -10.861 -15.052 1.00 23.32 H new ATOM 0 HB2 ARG X 437 -5.008 -11.948 -13.927 1.00 5.45 H new ATOM 0 HB3 ARG X 437 -6.384 -11.706 -12.869 1.00 5.45 H new ATOM 0 HG2 ARG X 437 -7.692 -13.085 -14.699 1.00 71.01 H new ATOM 0 HG3 ARG X 437 -6.094 -13.612 -15.186 1.00 71.01 H new ATOM 0 HD2 ARG X 437 -6.917 -15.223 -13.603 1.00 12.24 H new ATOM 0 HD3 ARG X 437 -5.653 -14.312 -12.802 1.00 12.24 H new ATOM 0 HE ARG X 437 -7.213 -13.501 -11.280 1.00 42.42 H new ATOM 0 HH11 ARG X 437 -8.847 -14.785 -14.135 1.00 31.32 H new ATOM 0 HH12 ARG X 437 -10.458 -14.623 -13.428 1.00 31.32 H new ATOM 0 HH21 ARG X 437 -9.285 -13.297 -10.379 1.00 3.22 H new ATOM 0 HH22 ARG X 437 -10.705 -13.785 -11.310 1.00 3.22 H new ATOM 147 N LYS X 438 -5.266 -8.810 -13.982 1.00 1.54 N ATOM 148 CA LYS X 438 -5.036 -7.564 -13.260 1.00 61.22 C ATOM 149 C LYS X 438 -5.793 -6.411 -13.911 1.00 34.03 C ATOM 150 O LYS X 438 -5.925 -6.355 -15.134 1.00 2.32 O ATOM 151 CB LYS X 438 -3.539 -7.246 -13.216 1.00 61.01 C ATOM 152 CG LYS X 438 -2.765 -8.099 -12.226 1.00 54.31 C ATOM 153 CD LYS X 438 -1.461 -7.435 -11.819 1.00 10.44 C ATOM 154 CE LYS X 438 -1.694 -6.317 -10.814 1.00 64.13 C ATOM 155 NZ LYS X 438 -2.113 -6.843 -9.486 1.00 21.52 N ATOM 0 H LYS X 438 -4.452 -9.162 -14.485 1.00 1.54 H new ATOM 0 HA LYS X 438 -5.405 -7.689 -12.242 1.00 61.22 H new ATOM 0 HB2 LYS X 438 -3.117 -7.386 -14.211 1.00 61.01 H new ATOM 0 HB3 LYS X 438 -3.407 -6.195 -12.959 1.00 61.01 H new ATOM 0 HG2 LYS X 438 -3.376 -8.276 -11.341 1.00 54.31 H new ATOM 0 HG3 LYS X 438 -2.556 -9.073 -12.669 1.00 54.31 H new ATOM 0 HD2 LYS X 438 -0.792 -8.179 -11.388 1.00 10.44 H new ATOM 0 HD3 LYS X 438 -0.965 -7.034 -12.703 1.00 10.44 H new ATOM 0 HE2 LYS X 438 -0.780 -5.734 -10.702 1.00 64.13 H new ATOM 0 HE3 LYS X 438 -2.459 -5.640 -11.194 1.00 64.13 H new ATOM 0 HZ1 LYS X 438 -2.001 -6.100 -8.767 1.00 21.52 H new ATOM 0 HZ2 LYS X 438 -3.110 -7.137 -9.528 1.00 21.52 H new ATOM 0 HZ3 LYS X 438 -1.522 -7.660 -9.234 1.00 21.52 H new ATOM 165 N ARG X 439 -6.284 -5.492 -13.088 1.00 54.15 N ATOM 166 CA ARG X 439 -7.027 -4.339 -13.584 1.00 65.33 C ATOM 167 C ARG X 439 -6.082 -3.195 -13.938 1.00 4.53 C ATOM 168 O ARG X 439 -5.990 -2.206 -13.212 1.00 21.20 O ATOM 169 CB ARG X 439 -8.042 -3.872 -12.540 1.00 74.13 C ATOM 170 CG ARG X 439 -9.202 -4.834 -12.343 1.00 71.52 C ATOM 171 CD ARG X 439 -9.954 -4.545 -11.054 1.00 62.55 C ATOM 172 NE ARG X 439 -9.264 -5.087 -9.885 1.00 43.02 N ATOM 173 CZ ARG X 439 -9.734 -4.994 -8.646 1.00 12.42 C ATOM 174 NH1 ARG X 439 -10.889 -4.385 -8.415 1.00 31.31 N ATOM 175 NH2 ARG X 439 -9.048 -5.511 -7.634 1.00 4.14 N ATOM 0 H ARG X 439 -6.181 -5.523 -12.074 1.00 54.15 H new ATOM 0 HA ARG X 439 -7.558 -4.641 -14.487 1.00 65.33 H new ATOM 0 HB2 ARG X 439 -7.532 -3.732 -11.587 1.00 74.13 H new ATOM 0 HB3 ARG X 439 -8.434 -2.899 -12.837 1.00 74.13 H new ATOM 0 HG2 ARG X 439 -9.886 -4.759 -13.189 1.00 71.52 H new ATOM 0 HG3 ARG X 439 -8.828 -5.858 -12.325 1.00 71.52 H new ATOM 0 HD2 ARG X 439 -10.073 -3.468 -10.938 1.00 62.55 H new ATOM 0 HD3 ARG X 439 -10.955 -4.972 -11.115 1.00 62.55 H new ATOM 0 HE ARG X 439 -8.373 -5.563 -10.028 1.00 43.02 H new ATOM 0 HH11 ARG X 439 -11.419 -3.986 -9.190 1.00 31.31 H new ATOM 0 HH12 ARG X 439 -11.247 -4.315 -7.463 1.00 31.31 H new ATOM 0 HH21 ARG X 439 -8.159 -5.980 -7.807 1.00 4.14 H new ATOM 0 HH22 ARG X 439 -9.410 -5.439 -6.683 1.00 4.14 H new ATOM 186 N GLU X 440 -5.382 -3.339 -15.060 1.00 74.00 N ATOM 187 CA GLU X 440 -4.443 -2.317 -15.509 1.00 14.10 C ATOM 188 C GLU X 440 -5.182 -1.133 -16.127 1.00 65.23 C ATOM 189 O GLU X 440 -5.232 -0.049 -15.547 1.00 11.23 O ATOM 190 CB GLU X 440 -3.462 -2.907 -16.525 1.00 61.52 C ATOM 191 CG GLU X 440 -2.485 -1.888 -17.087 1.00 31.02 C ATOM 192 CD GLU X 440 -1.644 -1.228 -16.011 1.00 2.42 C ATOM 193 OE1 GLU X 440 -2.085 -0.194 -15.466 1.00 62.25 O ATOM 194 OE2 GLU X 440 -0.548 -1.745 -15.714 1.00 1.35 O ATOM 0 H GLU X 440 -5.447 -4.152 -15.673 1.00 74.00 H new ATOM 0 HA GLU X 440 -3.887 -1.963 -14.641 1.00 14.10 H new ATOM 0 HB2 GLU X 440 -2.902 -3.713 -16.051 1.00 61.52 H new ATOM 0 HB3 GLU X 440 -4.025 -3.350 -17.346 1.00 61.52 H new ATOM 0 HG2 GLU X 440 -1.828 -2.378 -17.806 1.00 31.02 H new ATOM 0 HG3 GLU X 440 -3.038 -1.122 -17.631 1.00 31.02 H new ATOM 199 N ARG X 441 -5.754 -1.350 -17.307 1.00 64.13 N ATOM 200 CA ARG X 441 -6.488 -0.303 -18.005 1.00 54.45 C ATOM 201 C ARG X 441 -7.739 0.095 -17.228 1.00 4.51 C ATOM 202 O ARG X 441 -8.191 1.238 -17.299 1.00 2.02 O ATOM 203 CB ARG X 441 -6.874 -0.769 -19.409 1.00 52.24 C ATOM 204 CG ARG X 441 -5.718 -0.757 -20.395 1.00 11.15 C ATOM 205 CD ARG X 441 -6.176 -1.128 -21.797 1.00 0.01 C ATOM 206 NE ARG X 441 -6.126 -2.570 -22.026 1.00 15.32 N ATOM 207 CZ ARG X 441 -6.363 -3.135 -23.204 1.00 50.33 C ATOM 208 NH1 ARG X 441 -6.664 -2.385 -24.255 1.00 12.34 N ATOM 209 NH2 ARG X 441 -6.298 -4.454 -23.333 1.00 45.05 N ATOM 0 H ARG X 441 -5.723 -2.243 -17.799 1.00 64.13 H new ATOM 0 HA ARG X 441 -5.838 0.568 -18.085 1.00 54.45 H new ATOM 0 HB2 ARG X 441 -7.278 -1.779 -19.349 1.00 52.24 H new ATOM 0 HB3 ARG X 441 -7.671 -0.129 -19.789 1.00 52.24 H new ATOM 0 HG2 ARG X 441 -5.262 0.233 -20.410 1.00 11.15 H new ATOM 0 HG3 ARG X 441 -4.950 -1.457 -20.065 1.00 11.15 H new ATOM 0 HD2 ARG X 441 -7.194 -0.772 -21.952 1.00 0.01 H new ATOM 0 HD3 ARG X 441 -5.547 -0.623 -22.530 1.00 0.01 H new ATOM 0 HE ARG X 441 -5.897 -3.176 -21.238 1.00 15.32 H new ATOM 0 HH11 ARG X 441 -6.714 -1.371 -24.160 1.00 12.34 H new ATOM 0 HH12 ARG X 441 -6.845 -2.822 -25.158 1.00 12.34 H new ATOM 0 HH21 ARG X 441 -6.066 -5.034 -22.527 1.00 45.05 H new ATOM 0 HH22 ARG X 441 -6.480 -4.887 -24.238 1.00 45.05 H new ATOM 220 N LYS X 442 -8.294 -0.856 -16.484 1.00 45.10 N ATOM 221 CA LYS X 442 -9.493 -0.608 -15.692 1.00 20.53 C ATOM 222 C LYS X 442 -9.161 0.202 -14.443 1.00 51.34 C ATOM 223 O LYS X 442 -8.521 -0.299 -13.516 1.00 64.12 O ATOM 224 CB LYS X 442 -10.151 -1.931 -15.295 1.00 73.40 C ATOM 225 CG LYS X 442 -10.559 -2.787 -16.481 1.00 3.44 C ATOM 226 CD LYS X 442 -11.971 -2.464 -16.943 1.00 34.11 C ATOM 227 CE LYS X 442 -11.969 -1.438 -18.065 1.00 72.14 C ATOM 228 NZ LYS X 442 -11.821 -2.078 -19.401 1.00 14.41 N ATOM 0 H LYS X 442 -7.932 -1.807 -16.413 1.00 45.10 H new ATOM 0 HA LYS X 442 -10.189 -0.033 -16.303 1.00 20.53 H new ATOM 0 HB2 LYS X 442 -9.461 -2.497 -14.669 1.00 73.40 H new ATOM 0 HB3 LYS X 442 -11.032 -1.721 -14.689 1.00 73.40 H new ATOM 0 HG2 LYS X 442 -9.861 -2.628 -17.303 1.00 3.44 H new ATOM 0 HG3 LYS X 442 -10.496 -3.841 -16.209 1.00 3.44 H new ATOM 0 HD2 LYS X 442 -12.461 -3.376 -17.283 1.00 34.11 H new ATOM 0 HD3 LYS X 442 -12.552 -2.085 -16.103 1.00 34.11 H new ATOM 0 HE2 LYS X 442 -12.897 -0.867 -18.037 1.00 72.14 H new ATOM 0 HE3 LYS X 442 -11.155 -0.731 -17.909 1.00 72.14 H new ATOM 0 HZ1 LYS X 442 -11.824 -1.345 -20.139 1.00 14.41 H new ATOM 0 HZ2 LYS X 442 -10.923 -2.602 -19.437 1.00 14.41 H new ATOM 0 HZ3 LYS X 442 -12.612 -2.734 -19.561 1.00 14.41 H new ATOM 238 N THR X 443 -9.600 1.457 -14.421 1.00 63.21 N ATOM 239 CA THR X 443 -9.349 2.335 -13.285 1.00 54.10 C ATOM 240 C THR X 443 -10.655 2.818 -12.666 1.00 60.12 C ATOM 241 O THR X 443 -11.412 3.563 -13.288 1.00 33.34 O ATOM 242 CB THR X 443 -8.506 3.558 -13.697 1.00 42.20 C ATOM 243 OG1 THR X 443 -8.455 4.502 -12.620 1.00 34.22 O ATOM 244 CG2 THR X 443 -9.087 4.224 -14.934 1.00 15.03 C ATOM 0 H THR X 443 -10.131 1.888 -15.178 1.00 63.21 H new ATOM 0 HA THR X 443 -8.795 1.752 -12.550 1.00 54.10 H new ATOM 0 HB THR X 443 -7.497 3.216 -13.929 1.00 42.20 H new ATOM 0 HG1 THR X 443 -7.917 5.276 -12.888 1.00 34.22 H new ATOM 0 HG21 THR X 443 -8.475 5.084 -15.205 1.00 15.03 H new ATOM 0 HG22 THR X 443 -9.098 3.512 -15.759 1.00 15.03 H new ATOM 0 HG23 THR X 443 -10.105 4.554 -14.726 1.00 15.03 H new ATOM 252 N GLY X 444 -10.914 2.389 -11.434 1.00 13.44 N ATOM 253 CA GLY X 444 -12.131 2.789 -10.750 1.00 40.13 C ATOM 254 C GLY X 444 -11.866 3.764 -9.619 1.00 0.11 C ATOM 255 O GLY X 444 -11.508 4.918 -9.855 1.00 20.11 O ATOM 0 H GLY X 444 -10.304 1.772 -10.898 1.00 13.44 H new ATOM 0 HA2 GLY X 444 -12.814 3.245 -11.467 1.00 40.13 H new ATOM 0 HA3 GLY X 444 -12.629 1.904 -10.354 1.00 40.13 H new ATOM 259 N ASP X 445 -12.043 3.299 -8.386 1.00 33.42 N ATOM 260 CA ASP X 445 -11.822 4.138 -7.215 1.00 63.12 C ATOM 261 C ASP X 445 -10.917 3.435 -6.208 1.00 60.55 C ATOM 262 O ASP X 445 -11.380 2.638 -5.391 1.00 54.13 O ATOM 263 CB ASP X 445 -13.156 4.495 -6.558 1.00 22.50 C ATOM 264 CG ASP X 445 -13.915 5.557 -7.328 1.00 62.43 C ATOM 265 OD1 ASP X 445 -13.280 6.538 -7.770 1.00 53.12 O ATOM 266 OD2 ASP X 445 -15.143 5.407 -7.491 1.00 43.22 O ATOM 0 H ASP X 445 -12.339 2.346 -8.173 1.00 33.42 H new ATOM 0 HA ASP X 445 -11.330 5.054 -7.542 1.00 63.12 H new ATOM 0 HB2 ASP X 445 -13.771 3.598 -6.480 1.00 22.50 H new ATOM 0 HB3 ASP X 445 -12.975 4.847 -5.542 1.00 22.50 H new ATOM 270 N LEU X 446 -9.624 3.737 -6.271 1.00 61.11 N ATOM 271 CA LEU X 446 -8.653 3.134 -5.365 1.00 30.24 C ATOM 272 C LEU X 446 -8.076 4.176 -4.412 1.00 5.04 C ATOM 273 O LEU X 446 -8.123 5.380 -4.669 1.00 32.22 O ATOM 274 CB LEU X 446 -7.526 2.474 -6.161 1.00 51.31 C ATOM 275 CG LEU X 446 -7.134 3.163 -7.469 1.00 63.14 C ATOM 276 CD1 LEU X 446 -5.660 2.943 -7.769 1.00 35.14 C ATOM 277 CD2 LEU X 446 -7.996 2.655 -8.616 1.00 71.04 C ATOM 0 H LEU X 446 -9.225 4.395 -6.940 1.00 61.11 H new ATOM 0 HA LEU X 446 -9.166 2.375 -4.775 1.00 30.24 H new ATOM 0 HB2 LEU X 446 -6.643 2.419 -5.524 1.00 51.31 H new ATOM 0 HB3 LEU X 446 -7.820 1.449 -6.388 1.00 51.31 H new ATOM 0 HG LEU X 446 -7.303 4.234 -7.359 1.00 63.14 H new ATOM 0 HD11 LEU X 446 -5.401 3.441 -8.703 1.00 35.14 H new ATOM 0 HD12 LEU X 446 -5.058 3.355 -6.959 1.00 35.14 H new ATOM 0 HD13 LEU X 446 -5.463 1.875 -7.860 1.00 35.14 H new ATOM 0 HD21 LEU X 446 -7.704 3.155 -9.540 1.00 71.04 H new ATOM 0 HD22 LEU X 446 -7.858 1.579 -8.727 1.00 71.04 H new ATOM 0 HD23 LEU X 446 -9.044 2.866 -8.405 1.00 71.04 H new ATOM 288 N PRO X 447 -7.518 3.706 -3.287 1.00 40.52 N ATOM 289 CA PRO X 447 -6.920 4.581 -2.275 1.00 65.30 C ATOM 290 C PRO X 447 -5.628 5.230 -2.761 1.00 43.30 C ATOM 291 O PRO X 447 -4.594 4.571 -2.875 1.00 40.53 O ATOM 292 CB PRO X 447 -6.634 3.631 -1.109 1.00 62.33 C ATOM 293 CG PRO X 447 -6.493 2.289 -1.740 1.00 3.31 C ATOM 294 CD PRO X 447 -7.428 2.283 -2.917 1.00 33.20 C ATOM 0 HA PRO X 447 -7.576 5.412 -2.015 1.00 65.30 H new ATOM 0 HB2 PRO X 447 -5.725 3.917 -0.579 1.00 62.33 H new ATOM 0 HB3 PRO X 447 -7.445 3.643 -0.381 1.00 62.33 H new ATOM 0 HG2 PRO X 447 -5.465 2.113 -2.058 1.00 3.31 H new ATOM 0 HG3 PRO X 447 -6.748 1.498 -1.035 1.00 3.31 H new ATOM 0 HD2 PRO X 447 -7.039 1.678 -3.736 1.00 33.20 H new ATOM 0 HD3 PRO X 447 -8.403 1.874 -2.654 1.00 33.20 H new ATOM 299 N LYS X 448 -5.693 6.527 -3.046 1.00 14.21 N ATOM 300 CA LYS X 448 -4.529 7.267 -3.518 1.00 62.00 C ATOM 301 C LYS X 448 -3.698 7.778 -2.345 1.00 31.12 C ATOM 302 O LYS X 448 -2.468 7.806 -2.408 1.00 10.44 O ATOM 303 CB LYS X 448 -4.967 8.440 -4.396 1.00 73.50 C ATOM 304 CG LYS X 448 -5.862 9.436 -3.680 1.00 53.42 C ATOM 305 CD LYS X 448 -6.350 10.524 -4.621 1.00 4.51 C ATOM 306 CE LYS X 448 -7.452 10.015 -5.539 1.00 53.54 C ATOM 307 NZ LYS X 448 -8.805 10.232 -4.955 1.00 73.14 N ATOM 0 H LYS X 448 -6.541 7.087 -2.958 1.00 14.21 H new ATOM 0 HA LYS X 448 -3.913 6.589 -4.109 1.00 62.00 H new ATOM 0 HB2 LYS X 448 -4.081 8.959 -4.763 1.00 73.50 H new ATOM 0 HB3 LYS X 448 -5.494 8.053 -5.268 1.00 73.50 H new ATOM 0 HG2 LYS X 448 -6.717 8.915 -3.251 1.00 53.42 H new ATOM 0 HG3 LYS X 448 -5.316 9.888 -2.852 1.00 53.42 H new ATOM 0 HD2 LYS X 448 -6.720 11.369 -4.041 1.00 4.51 H new ATOM 0 HD3 LYS X 448 -5.516 10.889 -5.220 1.00 4.51 H new ATOM 0 HE2 LYS X 448 -7.386 10.523 -6.501 1.00 53.54 H new ATOM 0 HE3 LYS X 448 -7.305 8.952 -5.729 1.00 53.54 H new ATOM 0 HZ1 LYS X 448 -9.528 9.872 -5.610 1.00 73.14 H new ATOM 0 HZ2 LYS X 448 -8.877 9.727 -4.049 1.00 73.14 H new ATOM 0 HZ3 LYS X 448 -8.956 11.249 -4.798 1.00 73.14 H new ATOM 317 N PHE X 449 -4.376 8.182 -1.276 1.00 32.03 N ATOM 318 CA PHE X 449 -3.699 8.692 -0.089 1.00 42.40 C ATOM 319 C PHE X 449 -2.903 7.588 0.600 1.00 34.02 C ATOM 320 O PHE X 449 -1.845 7.840 1.178 1.00 50.33 O ATOM 321 CB PHE X 449 -4.717 9.288 0.887 1.00 23.45 C ATOM 322 CG PHE X 449 -4.114 10.260 1.861 1.00 70.52 C ATOM 323 CD1 PHE X 449 -3.928 11.587 1.509 1.00 0.32 C ATOM 324 CD2 PHE X 449 -3.735 9.847 3.127 1.00 43.20 C ATOM 325 CE1 PHE X 449 -3.373 12.484 2.402 1.00 14.43 C ATOM 326 CE2 PHE X 449 -3.180 10.739 4.026 1.00 54.21 C ATOM 327 CZ PHE X 449 -3.000 12.059 3.663 1.00 51.14 C ATOM 0 H PHE X 449 -5.394 8.166 -1.207 1.00 32.03 H new ATOM 0 HA PHE X 449 -3.006 9.473 -0.403 1.00 42.40 H new ATOM 0 HB2 PHE X 449 -5.500 9.792 0.320 1.00 23.45 H new ATOM 0 HB3 PHE X 449 -5.194 8.480 1.441 1.00 23.45 H new ATOM 0 HD1 PHE X 449 -4.220 11.924 0.525 1.00 0.32 H new ATOM 0 HD2 PHE X 449 -3.875 8.816 3.416 1.00 43.20 H new ATOM 0 HE1 PHE X 449 -3.231 13.515 2.115 1.00 14.43 H new ATOM 0 HE2 PHE X 449 -2.888 10.404 5.010 1.00 54.21 H new ATOM 0 HZ PHE X 449 -2.568 12.758 4.364 1.00 51.14 H new ATOM 336 N ILE X 450 -3.419 6.365 0.534 1.00 25.32 N ATOM 337 CA ILE X 450 -2.757 5.223 1.151 1.00 11.31 C ATOM 338 C ILE X 450 -1.593 4.735 0.295 1.00 33.23 C ATOM 339 O ILE X 450 -0.491 4.515 0.796 1.00 25.32 O ATOM 340 CB ILE X 450 -3.738 4.058 1.377 1.00 11.41 C ATOM 341 CG1 ILE X 450 -5.030 4.568 2.019 1.00 44.32 C ATOM 342 CG2 ILE X 450 -3.096 2.986 2.245 1.00 35.30 C ATOM 343 CD1 ILE X 450 -4.812 5.275 3.337 1.00 52.51 C ATOM 0 H ILE X 450 -4.293 6.140 0.059 1.00 25.32 H new ATOM 0 HA ILE X 450 -2.379 5.560 2.116 1.00 11.31 H new ATOM 0 HB ILE X 450 -3.984 3.617 0.411 1.00 11.41 H new ATOM 0 HG12 ILE X 450 -5.525 5.250 1.328 1.00 44.32 H new ATOM 0 HG13 ILE X 450 -5.705 3.727 2.175 1.00 44.32 H new ATOM 0 HG21 ILE X 450 -3.802 2.169 2.396 1.00 35.30 H new ATOM 0 HG22 ILE X 450 -2.201 2.606 1.752 1.00 35.30 H new ATOM 0 HG23 ILE X 450 -2.824 3.414 3.210 1.00 35.30 H new ATOM 0 HD11 ILE X 450 -5.771 5.609 3.734 1.00 52.51 H new ATOM 0 HD12 ILE X 450 -4.346 4.590 4.045 1.00 52.51 H new ATOM 0 HD13 ILE X 450 -4.162 6.137 3.184 1.00 52.51 H new ATOM 354 N GLU X 451 -1.847 4.568 -1.000 1.00 1.30 N ATOM 355 CA GLU X 451 -0.820 4.106 -1.925 1.00 54.42 C ATOM 356 C GLU X 451 0.309 5.127 -2.040 1.00 44.11 C ATOM 357 O GLU X 451 1.461 4.769 -2.284 1.00 31.34 O ATOM 358 CB GLU X 451 -1.426 3.844 -3.305 1.00 73.44 C ATOM 359 CG GLU X 451 -1.618 5.102 -4.135 1.00 32.04 C ATOM 360 CD GLU X 451 -0.421 5.411 -5.013 1.00 20.32 C ATOM 361 OE1 GLU X 451 0.256 4.456 -5.448 1.00 4.44 O ATOM 362 OE2 GLU X 451 -0.160 6.606 -5.263 1.00 72.52 O ATOM 0 H GLU X 451 -2.754 4.746 -1.431 1.00 1.30 H new ATOM 0 HA GLU X 451 -0.408 3.176 -1.534 1.00 54.42 H new ATOM 0 HB2 GLU X 451 -0.782 3.154 -3.850 1.00 73.44 H new ATOM 0 HB3 GLU X 451 -2.390 3.350 -3.181 1.00 73.44 H new ATOM 0 HG2 GLU X 451 -2.503 4.988 -4.761 1.00 32.04 H new ATOM 0 HG3 GLU X 451 -1.804 5.946 -3.471 1.00 32.04 H new ATOM 367 N GLU X 452 -0.032 6.400 -1.859 1.00 43.54 N ATOM 368 CA GLU X 452 0.952 7.472 -1.944 1.00 75.14 C ATOM 369 C GLU X 452 1.820 7.513 -0.690 1.00 10.33 C ATOM 370 O GLU X 452 3.045 7.620 -0.771 1.00 62.14 O ATOM 371 CB GLU X 452 0.254 8.820 -2.138 1.00 22.31 C ATOM 372 CG GLU X 452 -0.129 9.104 -3.581 1.00 64.41 C ATOM 373 CD GLU X 452 1.069 9.110 -4.512 1.00 35.14 C ATOM 374 OE1 GLU X 452 2.207 9.231 -4.014 1.00 42.21 O ATOM 375 OE2 GLU X 452 0.867 8.992 -5.739 1.00 10.14 O ATOM 0 H GLU X 452 -0.981 6.713 -1.653 1.00 43.54 H new ATOM 0 HA GLU X 452 1.593 7.276 -2.803 1.00 75.14 H new ATOM 0 HB2 GLU X 452 -0.644 8.847 -1.520 1.00 22.31 H new ATOM 0 HB3 GLU X 452 0.910 9.614 -1.782 1.00 22.31 H new ATOM 0 HG2 GLU X 452 -0.843 8.352 -3.918 1.00 64.41 H new ATOM 0 HG3 GLU X 452 -0.632 10.069 -3.636 1.00 64.41 H new ATOM 380 N THR X 453 1.179 7.429 0.471 1.00 42.14 N ATOM 381 CA THR X 453 1.891 7.457 1.742 1.00 1.30 C ATOM 382 C THR X 453 2.673 6.168 1.964 1.00 30.24 C ATOM 383 O THR X 453 3.743 6.178 2.572 1.00 13.44 O ATOM 384 CB THR X 453 0.924 7.668 2.923 1.00 5.33 C ATOM 385 OG1 THR X 453 1.664 7.920 4.123 1.00 45.05 O ATOM 386 CG2 THR X 453 0.034 6.449 3.117 1.00 64.03 C ATOM 0 H THR X 453 0.166 7.341 0.557 1.00 42.14 H new ATOM 0 HA THR X 453 2.586 8.296 1.696 1.00 1.30 H new ATOM 0 HB THR X 453 0.293 8.528 2.699 1.00 5.33 H new ATOM 0 HG1 THR X 453 1.042 8.055 4.869 1.00 45.05 H new ATOM 0 HG21 THR X 453 -0.640 6.621 3.956 1.00 64.03 H new ATOM 0 HG22 THR X 453 -0.549 6.276 2.212 1.00 64.03 H new ATOM 0 HG23 THR X 453 0.653 5.575 3.322 1.00 64.03 H new ATOM 394 N GLU X 454 2.132 5.060 1.466 1.00 61.44 N ATOM 395 CA GLU X 454 2.780 3.762 1.611 1.00 4.33 C ATOM 396 C GLU X 454 4.000 3.659 0.700 1.00 54.22 C ATOM 397 O GLU X 454 5.089 3.287 1.139 1.00 33.03 O ATOM 398 CB GLU X 454 1.795 2.635 1.292 1.00 4.25 C ATOM 399 CG GLU X 454 2.307 1.255 1.667 1.00 54.45 C ATOM 400 CD GLU X 454 2.498 1.090 3.162 1.00 73.14 C ATOM 401 OE1 GLU X 454 1.495 0.849 3.865 1.00 32.21 O ATOM 402 OE2 GLU X 454 3.651 1.201 3.629 1.00 25.31 O ATOM 0 H GLU X 454 1.247 5.036 0.959 1.00 61.44 H new ATOM 0 HA GLU X 454 3.110 3.663 2.645 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.859 2.822 1.819 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.569 2.652 0.226 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.605 0.502 1.309 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.255 1.074 1.161 1.00 54.45 H new ATOM 407 N LYS X 455 3.810 3.991 -0.573 1.00 25.33 N ATOM 408 CA LYS X 455 4.893 3.936 -1.548 1.00 0.54 C ATOM 409 C LYS X 455 5.993 4.933 -1.195 1.00 62.42 C ATOM 410 O LYS X 455 7.180 4.610 -1.255 1.00 21.12 O ATOM 411 CB LYS X 455 4.357 4.227 -2.951 1.00 34.23 C ATOM 412 CG LYS X 455 5.416 4.134 -4.038 1.00 13.52 C ATOM 413 CD LYS X 455 5.757 5.503 -4.602 1.00 51.32 C ATOM 414 CE LYS X 455 6.993 6.088 -3.936 1.00 3.43 C ATOM 415 NZ LYS X 455 7.780 6.936 -4.874 1.00 10.05 N ATOM 0 H LYS X 455 2.916 4.301 -0.953 1.00 25.33 H new ATOM 0 HA LYS X 455 5.317 2.932 -1.528 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.554 3.526 -3.177 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.921 5.226 -2.964 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.316 3.672 -3.632 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.060 3.487 -4.840 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.924 5.424 -5.676 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.912 6.177 -4.460 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.693 6.683 -3.073 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.622 5.279 -3.563 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.397 7.573 -4.331 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.362 6.329 -5.486 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.131 7.499 -5.461 1.00 10.05 H new ATOM 425 N LYS X 456 5.591 6.144 -0.826 1.00 23.55 N ATOM 426 CA LYS X 456 6.542 7.188 -0.461 1.00 51.54 C ATOM 427 C LYS X 456 7.312 6.805 0.799 1.00 23.14 C ATOM 428 O LYS X 456 8.493 7.125 0.937 1.00 54.11 O ATOM 429 CB LYS X 456 5.814 8.516 -0.243 1.00 65.35 C ATOM 430 CG LYS X 456 5.396 9.200 -1.533 1.00 12.34 C ATOM 431 CD LYS X 456 4.478 10.380 -1.267 1.00 41.13 C ATOM 432 CE LYS X 456 4.385 11.299 -2.476 1.00 35.30 C ATOM 433 NZ LYS X 456 3.771 12.611 -2.129 1.00 61.51 N ATOM 0 H LYS X 456 4.613 6.427 -0.772 1.00 23.55 H new ATOM 0 HA LYS X 456 7.252 7.301 -1.280 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.929 8.339 0.368 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.462 9.187 0.321 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.282 9.541 -2.069 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.890 8.482 -2.179 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.484 10.017 -1.007 1.00 41.13 H new ATOM 0 HD3 LYS X 456 4.846 10.942 -0.409 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.382 11.462 -2.886 1.00 35.30 H new ATOM 0 HE3 LYS X 456 3.795 10.816 -3.255 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 3.725 13.209 -2.979 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 2.810 12.458 -1.761 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 4.348 13.084 -1.404 1.00 61.51 H new ATOM 443 N ARG X 457 6.637 6.118 1.713 1.00 71.11 N ATOM 444 CA ARG X 457 7.259 5.691 2.961 1.00 35.12 C ATOM 445 C ARG X 457 8.331 4.637 2.702 1.00 55.14 C ATOM 446 O ARG X 457 9.455 4.747 3.194 1.00 20.31 O ATOM 447 CB ARG X 457 6.202 5.134 3.918 1.00 21.50 C ATOM 448 CG ARG X 457 5.653 6.168 4.887 1.00 50.23 C ATOM 449 CD ARG X 457 6.079 5.875 6.316 1.00 12.04 C ATOM 450 NE ARG X 457 5.140 6.423 7.291 1.00 20.01 N ATOM 451 CZ ARG X 457 5.131 6.084 8.576 1.00 74.42 C ATOM 452 NH1 ARG X 457 6.007 5.201 9.036 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.246 6.626 9.401 1.00 51.31 N ATOM 0 H ARG X 457 5.659 5.845 1.614 1.00 71.11 H new ATOM 0 HA ARG X 457 7.732 6.560 3.418 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.378 4.721 3.336 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.636 4.311 4.486 1.00 21.50 H new ATOM 0 HG2 ARG X 457 6.002 7.160 4.598 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.565 6.183 4.827 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.159 4.797 6.456 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.070 6.294 6.492 1.00 12.04 H new ATOM 0 HE ARG X 457 4.453 7.104 6.968 1.00 20.01 H new ATOM 0 HH11 ARG X 457 6.688 4.781 8.403 1.00 71.32 H new ATOM 0 HH12 ARG X 457 5.999 4.941 10.022 1.00 71.32 H new ATOM 0 HH21 ARG X 457 3.570 7.305 9.050 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.241 6.364 10.387 1.00 51.31 H new ATOM 464 N ILE X 458 7.976 3.618 1.928 1.00 20.05 N ATOM 465 CA ILE X 458 8.909 2.545 1.604 1.00 63.42 C ATOM 466 C ILE X 458 10.122 3.080 0.850 1.00 45.00 C ATOM 467 O ILE X 458 11.264 2.825 1.232 1.00 10.42 O ATOM 468 CB ILE X 458 8.234 1.450 0.756 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.055 0.840 1.516 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.243 0.375 0.380 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.473 -0.069 2.652 1.00 74.53 C ATOM 0 H ILE X 458 7.050 3.512 1.513 1.00 20.05 H new ATOM 0 HA ILE X 458 9.234 2.113 2.550 1.00 63.42 H new ATOM 0 HB ILE X 458 7.855 1.902 -0.161 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.435 1.643 1.914 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.437 0.275 0.818 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.752 -0.392 -0.219 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.053 0.822 -0.196 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.648 -0.076 1.286 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.586 -0.466 3.146 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.068 -0.893 2.258 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.066 0.496 3.371 1.00 74.53 H new ATOM 482 N ILE X 459 9.865 3.825 -0.220 1.00 30.41 N ATOM 483 CA ILE X 459 10.937 4.398 -1.024 1.00 14.13 C ATOM 484 C ILE X 459 11.794 5.353 -0.199 1.00 54.12 C ATOM 485 O ILE X 459 13.011 5.416 -0.372 1.00 73.32 O ATOM 486 CB ILE X 459 10.381 5.153 -2.246 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.516 5.532 -3.199 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.618 6.392 -1.802 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.154 5.384 -4.661 1.00 14.20 C ATOM 0 H ILE X 459 8.925 4.046 -0.550 1.00 30.41 H new ATOM 0 HA ILE X 459 11.552 3.566 -1.368 1.00 14.13 H new ATOM 0 HB ILE X 459 9.691 4.497 -2.776 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.810 6.564 -3.009 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.384 4.909 -2.983 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.232 6.914 -2.677 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.788 6.098 -1.159 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.287 7.053 -1.251 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.006 5.670 -5.278 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.889 4.347 -4.867 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.306 6.028 -4.893 1.00 14.20 H new ATOM 500 N GLU X 460 11.150 6.092 0.699 1.00 70.03 N ATOM 501 CA GLU X 460 11.854 7.042 1.552 1.00 55.24 C ATOM 502 C GLU X 460 12.838 6.323 2.471 1.00 12.02 C ATOM 503 O GLU X 460 14.012 6.685 2.545 1.00 12.20 O ATOM 504 CB GLU X 460 10.856 7.849 2.386 1.00 64.30 C ATOM 505 CG GLU X 460 11.512 8.705 3.457 1.00 23.33 C ATOM 506 CD GLU X 460 10.610 9.824 3.941 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.453 10.820 3.203 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.063 9.705 5.057 1.00 74.02 O ATOM 0 H GLU X 460 10.143 6.051 0.854 1.00 70.03 H new ATOM 0 HA GLU X 460 12.414 7.722 0.910 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.277 8.492 1.723 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.153 7.164 2.860 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.789 8.075 4.302 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.434 9.131 3.062 1.00 23.33 H new ATOM 513 N ALA X 461 12.349 5.304 3.169 1.00 23.10 N ATOM 514 CA ALA X 461 13.185 4.533 4.081 1.00 30.24 C ATOM 515 C ALA X 461 14.358 3.894 3.346 1.00 45.21 C ATOM 516 O ALA X 461 15.499 3.954 3.805 1.00 60.24 O ATOM 517 CB ALA X 461 12.356 3.466 4.782 1.00 43.23 C ATOM 0 H ALA X 461 11.379 4.993 3.121 1.00 23.10 H new ATOM 0 HA ALA X 461 13.588 5.216 4.829 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.993 2.898 5.460 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.555 3.941 5.349 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.925 2.794 4.040 1.00 43.23 H new ATOM 523 N LEU X 462 14.071 3.285 2.201 1.00 41.14 N ATOM 524 CA LEU X 462 15.103 2.634 1.400 1.00 32.12 C ATOM 525 C LEU X 462 16.203 3.622 1.024 1.00 23.05 C ATOM 526 O LEU X 462 17.381 3.383 1.290 1.00 51.52 O ATOM 527 CB LEU X 462 14.490 2.029 0.136 1.00 22.31 C ATOM 528 CG LEU X 462 13.862 0.644 0.291 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.878 0.374 -0.837 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.940 -0.429 0.329 1.00 72.43 C ATOM 0 H LEU X 462 13.132 3.228 1.806 1.00 41.14 H new ATOM 0 HA LEU X 462 15.545 1.837 1.998 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.727 2.712 -0.236 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.266 1.971 -0.628 1.00 22.31 H new ATOM 0 HG LEU X 462 13.317 0.617 1.235 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.441 -0.617 -0.710 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.088 1.124 -0.818 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.399 0.420 -1.793 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.475 -1.408 0.440 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.513 -0.402 -0.598 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.606 -0.246 1.172 1.00 72.43 H new ATOM 541 N GLU X 463 15.809 4.731 0.406 1.00 4.01 N ATOM 542 CA GLU X 463 16.763 5.754 -0.005 1.00 14.12 C ATOM 543 C GLU X 463 17.575 6.252 1.187 1.00 33.23 C ATOM 544 O GLU X 463 18.773 6.514 1.072 1.00 3.32 O ATOM 545 CB GLU X 463 16.034 6.926 -0.664 1.00 41.55 C ATOM 546 CG GLU X 463 15.235 6.532 -1.895 1.00 22.34 C ATOM 547 CD GLU X 463 15.914 6.942 -3.188 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.150 7.121 -3.177 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.210 7.085 -4.210 1.00 1.41 O ATOM 0 H GLU X 463 14.837 4.944 0.179 1.00 4.01 H new ATOM 0 HA GLU X 463 17.447 5.308 -0.727 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.362 7.381 0.064 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.764 7.686 -0.943 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.084 5.453 -1.895 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.248 6.992 -1.846 1.00 22.34 H new ATOM 554 N LYS X 464 16.914 6.380 2.333 1.00 23.51 N ATOM 555 CA LYS X 464 17.573 6.846 3.548 1.00 44.12 C ATOM 556 C LYS X 464 18.491 5.768 4.116 1.00 71.21 C ATOM 557 O LYS X 464 19.450 6.066 4.827 1.00 34.14 O ATOM 558 CB LYS X 464 16.531 7.248 4.595 1.00 41.33 C ATOM 559 CG LYS X 464 15.966 8.642 4.384 1.00 1.43 C ATOM 560 CD LYS X 464 14.735 8.879 5.244 1.00 74.45 C ATOM 561 CE LYS X 464 15.115 9.286 6.660 1.00 13.32 C ATOM 562 NZ LYS X 464 13.999 9.058 7.620 1.00 54.43 N ATOM 0 H LYS X 464 15.923 6.168 2.446 1.00 23.51 H new ATOM 0 HA LYS X 464 18.178 7.716 3.293 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.714 6.527 4.578 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.983 7.194 5.585 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.727 9.385 4.623 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.709 8.777 3.333 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.119 9.657 4.793 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.131 7.972 5.274 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.990 8.719 6.979 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.396 10.339 6.672 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.297 9.347 8.574 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 13.172 9.618 7.330 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 13.748 8.049 7.627 1.00 54.43 H new ATOM 572 N THR X 465 18.189 4.513 3.797 1.00 13.11 N ATOM 573 CA THR X 465 18.987 3.391 4.276 1.00 52.11 C ATOM 574 C THR X 465 20.065 3.013 3.267 1.00 75.51 C ATOM 575 O THR X 465 20.940 2.196 3.555 1.00 65.34 O ATOM 576 CB THR X 465 18.109 2.157 4.559 1.00 42.21 C ATOM 577 OG1 THR X 465 17.352 1.817 3.391 1.00 52.14 O ATOM 578 CG2 THR X 465 17.165 2.419 5.723 1.00 61.42 C ATOM 0 H THR X 465 17.398 4.248 3.210 1.00 13.11 H new ATOM 0 HA THR X 465 19.459 3.712 5.205 1.00 52.11 H new ATOM 0 HB THR X 465 18.763 1.326 4.823 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.654 2.363 2.635 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.556 1.533 5.904 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.745 2.649 6.617 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.517 3.262 5.484 1.00 61.42 H new ATOM 586 N GLY X 466 19.998 3.613 2.083 1.00 31.45 N ATOM 587 CA GLY X 466 20.975 3.326 1.049 1.00 73.12 C ATOM 588 C GLY X 466 20.522 2.224 0.112 1.00 2.02 C ATOM 589 O GLY X 466 21.315 1.369 -0.284 1.00 72.31 O ATOM 0 H GLY X 466 19.284 4.293 1.821 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.167 4.232 0.474 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.918 3.038 1.514 1.00 73.12 H new ATOM 593 N TYR X 467 19.241 2.243 -0.245 1.00 22.12 N ATOM 594 CA TYR X 467 18.682 1.236 -1.139 1.00 42.34 C ATOM 595 C TYR X 467 18.824 -0.161 -0.541 1.00 41.45 C ATOM 596 O TYR X 467 19.165 -1.116 -1.239 1.00 0.12 O ATOM 597 CB TYR X 467 19.374 1.292 -2.501 1.00 12.11 C ATOM 598 CG TYR X 467 19.246 2.632 -3.191 1.00 64.22 C ATOM 599 CD1 TYR X 467 17.998 3.183 -3.452 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.372 3.345 -3.580 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.875 4.407 -4.082 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.259 4.571 -4.209 1.00 24.43 C ATOM 603 CZ TYR X 467 19.009 5.096 -4.458 1.00 42.32 C ATOM 604 OH TYR X 467 18.893 6.316 -5.086 1.00 45.41 O ATOM 0 H TYR X 467 18.572 2.945 0.071 1.00 22.12 H new ATOM 0 HA TYR X 467 17.621 1.451 -1.269 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.431 1.059 -2.372 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.953 0.520 -3.145 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.109 2.646 -3.158 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.353 2.935 -3.388 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.897 4.821 -4.279 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.145 5.114 -4.504 1.00 24.43 H new ATOM 0 HH TYR X 467 18.270 6.883 -4.586 1.00 45.41 H new ATOM 613 N VAL X 468 18.557 -0.273 0.757 1.00 21.22 N ATOM 614 CA VAL X 468 18.652 -1.552 1.449 1.00 11.54 C ATOM 615 C VAL X 468 17.286 -2.010 1.948 1.00 22.10 C ATOM 616 O VAL X 468 16.592 -1.277 2.654 1.00 25.15 O ATOM 617 CB VAL X 468 19.622 -1.473 2.643 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.793 -2.843 3.282 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.963 -0.909 2.203 1.00 32.52 C ATOM 0 H VAL X 468 18.273 0.507 1.350 1.00 21.22 H new ATOM 0 HA VAL X 468 19.033 -2.275 0.727 1.00 11.54 H new ATOM 0 HB VAL X 468 19.199 -0.801 3.389 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.481 -2.768 4.124 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.827 -3.203 3.634 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.194 -3.540 2.546 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.636 -0.860 3.059 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.395 -1.554 1.438 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.821 0.092 1.796 1.00 32.52 H new ATOM 629 N LYS X 469 16.903 -3.227 1.576 1.00 2.33 N ATOM 630 CA LYS X 469 15.621 -3.786 1.985 1.00 73.34 C ATOM 631 C LYS X 469 15.611 -4.088 3.481 1.00 0.52 C ATOM 632 O LYS X 469 14.716 -3.655 4.206 1.00 43.22 O ATOM 633 CB LYS X 469 15.320 -5.061 1.195 1.00 64.33 C ATOM 634 CG LYS X 469 14.011 -5.725 1.586 1.00 65.33 C ATOM 635 CD LYS X 469 13.920 -7.141 1.043 1.00 74.35 C ATOM 636 CE LYS X 469 13.976 -7.160 -0.477 1.00 63.33 C ATOM 637 NZ LYS X 469 13.653 -8.505 -1.028 1.00 50.11 N ATOM 0 H LYS X 469 17.464 -3.846 0.991 1.00 2.33 H new ATOM 0 HA LYS X 469 14.848 -3.046 1.776 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.293 -4.822 0.132 1.00 64.33 H new ATOM 0 HB3 LYS X 469 16.135 -5.770 1.341 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.922 -5.745 2.672 1.00 65.33 H new ATOM 0 HG3 LYS X 469 13.176 -5.135 1.208 1.00 65.33 H new ATOM 0 HD2 LYS X 469 14.737 -7.739 1.446 1.00 74.35 H new ATOM 0 HD3 LYS X 469 12.991 -7.602 1.380 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.275 -6.427 -0.875 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.971 -6.862 -0.807 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 14.347 -8.756 -1.761 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 13.686 -9.210 -0.264 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 12.700 -8.490 -1.444 1.00 50.11 H new ATOM 647 N SER X 470 16.615 -4.832 3.936 1.00 71.13 N ATOM 648 CA SER X 470 16.720 -5.193 5.345 1.00 51.22 C ATOM 649 C SER X 470 16.610 -3.957 6.233 1.00 51.22 C ATOM 650 O SER X 470 15.789 -3.907 7.148 1.00 14.32 O ATOM 651 CB SER X 470 18.045 -5.911 5.611 1.00 52.44 C ATOM 652 OG SER X 470 18.192 -7.040 4.768 1.00 5.24 O ATOM 0 H SER X 470 17.366 -5.196 3.350 1.00 71.13 H new ATOM 0 HA SER X 470 15.896 -5.865 5.585 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.874 -5.222 5.449 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.089 -6.224 6.654 1.00 52.44 H new ATOM 0 HG SER X 470 19.047 -7.480 4.957 1.00 5.24 H new ATOM 657 N ARG X 471 17.446 -2.961 5.955 1.00 75.24 N ATOM 658 CA ARG X 471 17.445 -1.725 6.728 1.00 11.02 C ATOM 659 C ARG X 471 16.102 -1.010 6.608 1.00 64.24 C ATOM 660 O ARG X 471 15.508 -0.611 7.609 1.00 23.30 O ATOM 661 CB ARG X 471 18.571 -0.803 6.257 1.00 3.34 C ATOM 662 CG ARG X 471 19.960 -1.374 6.484 1.00 74.42 C ATOM 663 CD ARG X 471 21.000 -0.663 5.632 1.00 11.42 C ATOM 664 NE ARG X 471 21.687 0.393 6.373 1.00 42.13 N ATOM 665 CZ ARG X 471 22.774 1.013 5.930 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.296 0.686 4.756 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.341 1.964 6.662 1.00 13.40 N ATOM 0 H ARG X 471 18.132 -2.986 5.201 1.00 75.24 H new ATOM 0 HA ARG X 471 17.608 -1.980 7.775 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.441 -0.598 5.194 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.490 0.151 6.778 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.225 -1.281 7.537 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.960 -2.438 6.248 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.731 -1.388 5.272 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.517 -0.234 4.754 1.00 11.42 H new ATOM 0 HE ARG X 471 21.311 0.669 7.280 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.862 -0.044 4.190 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.131 1.164 4.418 1.00 54.24 H new ATOM 0 HH21 ARG X 471 22.942 2.219 7.565 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.176 2.440 6.321 1.00 13.40 H new ATOM 678 N ALA X 472 15.631 -0.851 5.375 1.00 63.50 N ATOM 679 CA ALA X 472 14.359 -0.185 5.123 1.00 51.02 C ATOM 680 C ALA X 472 13.223 -0.868 5.879 1.00 14.44 C ATOM 681 O ALA X 472 12.297 -0.209 6.352 1.00 62.31 O ATOM 682 CB ALA X 472 14.062 -0.159 3.632 1.00 12.21 C ATOM 0 H ALA X 472 16.111 -1.174 4.535 1.00 63.50 H new ATOM 0 HA ALA X 472 14.437 0.841 5.484 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.109 0.341 3.459 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.854 0.380 3.113 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.009 -1.180 3.254 1.00 12.21 H new ATOM 688 N ALA X 473 13.301 -2.190 5.987 1.00 33.12 N ATOM 689 CA ALA X 473 12.281 -2.960 6.686 1.00 5.31 C ATOM 690 C ALA X 473 12.308 -2.675 8.184 1.00 1.25 C ATOM 691 O ALA X 473 11.284 -2.337 8.780 1.00 50.13 O ATOM 692 CB ALA X 473 12.473 -4.447 6.427 1.00 61.31 C ATOM 0 H ALA X 473 14.060 -2.750 5.599 1.00 33.12 H new ATOM 0 HA ALA X 473 11.306 -2.658 6.303 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.704 -5.011 6.955 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.396 -4.643 5.358 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.457 -4.754 6.782 1.00 61.31 H new ATOM 698 N LYS X 474 13.483 -2.814 8.787 1.00 62.03 N ATOM 699 CA LYS X 474 13.643 -2.570 10.217 1.00 24.40 C ATOM 700 C LYS X 474 13.372 -1.107 10.553 1.00 54.40 C ATOM 701 O LYS X 474 12.867 -0.790 11.630 1.00 74.45 O ATOM 702 CB LYS X 474 15.055 -2.955 10.664 1.00 34.32 C ATOM 703 CG LYS X 474 16.153 -2.236 9.899 1.00 3.21 C ATOM 704 CD LYS X 474 17.532 -2.708 10.330 1.00 54.32 C ATOM 705 CE LYS X 474 17.839 -4.098 9.794 1.00 20.00 C ATOM 706 NZ LYS X 474 18.739 -4.857 10.705 1.00 3.13 N ATOM 0 H LYS X 474 14.339 -3.094 8.309 1.00 62.03 H new ATOM 0 HA LYS X 474 12.919 -3.186 10.750 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.162 -2.738 11.727 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.184 -4.031 10.544 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.026 -2.408 8.830 1.00 3.21 H new ATOM 0 HG3 LYS X 474 16.068 -1.162 10.061 1.00 3.21 H new ATOM 0 HD2 LYS X 474 18.286 -2.005 9.974 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.591 -2.715 11.418 1.00 54.32 H new ATOM 0 HE2 LYS X 474 16.908 -4.649 9.660 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.304 -4.014 8.812 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 18.924 -5.799 10.305 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.637 -4.344 10.813 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 18.285 -4.960 11.635 1.00 3.13 H new ATOM 716 N LEU X 475 13.711 -0.219 9.625 1.00 10.44 N ATOM 717 CA LEU X 475 13.503 1.211 9.822 1.00 74.31 C ATOM 718 C LEU X 475 12.016 1.548 9.837 1.00 24.12 C ATOM 719 O LEU X 475 11.531 2.226 10.745 1.00 74.13 O ATOM 720 CB LEU X 475 14.206 2.005 8.721 1.00 52.05 C ATOM 721 CG LEU X 475 14.633 3.427 9.086 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.533 4.009 8.007 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.414 4.312 9.300 1.00 53.02 C ATOM 0 H LEU X 475 14.131 -0.464 8.729 1.00 10.44 H new ATOM 0 HA LEU X 475 13.929 1.485 10.787 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.091 1.450 8.410 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.542 2.057 7.858 1.00 52.05 H new ATOM 0 HG LEU X 475 15.197 3.387 10.018 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.826 5.021 8.285 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.423 3.389 7.902 1.00 24.51 H new ATOM 0 HD13 LEU X 475 14.995 4.034 7.059 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.737 5.320 9.559 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.823 4.344 8.385 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.807 3.906 10.110 1.00 53.02 H new ATOM 734 N LEU X 476 11.296 1.069 8.829 1.00 14.12 N ATOM 735 CA LEU X 476 9.861 1.317 8.727 1.00 2.33 C ATOM 736 C LEU X 476 9.098 0.551 9.803 1.00 41.31 C ATOM 737 O LEU X 476 8.161 1.074 10.405 1.00 65.41 O ATOM 738 CB LEU X 476 9.351 0.917 7.342 1.00 21.22 C ATOM 739 CG LEU X 476 9.776 1.820 6.184 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.896 1.017 4.897 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.790 2.966 6.011 1.00 71.10 C ATOM 0 H LEU X 476 11.682 0.507 8.070 1.00 14.12 H new ATOM 0 HA LEU X 476 9.691 2.383 8.876 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.692 -0.096 7.130 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.262 0.887 7.372 1.00 21.22 H new ATOM 0 HG LEU X 476 10.754 2.242 6.417 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.199 1.676 4.084 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.642 0.233 5.026 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.933 0.566 4.658 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.109 3.598 5.182 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.799 2.564 5.801 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.755 3.557 6.926 1.00 71.10 H new ATOM 752 N GLY X 477 9.509 -0.691 10.042 1.00 45.23 N ATOM 753 CA GLY X 477 8.854 -1.508 11.048 1.00 22.13 C ATOM 754 C GLY X 477 8.227 -2.757 10.462 1.00 61.31 C ATOM 755 O GLY X 477 7.367 -3.379 11.085 1.00 35.21 O ATOM 0 H GLY X 477 10.283 -1.146 9.558 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.580 -1.793 11.810 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.084 -0.918 11.546 1.00 22.13 H new ATOM 759 N TYR X 478 8.656 -3.123 9.259 1.00 41.35 N ATOM 760 CA TYR X 478 8.128 -4.304 8.586 1.00 51.13 C ATOM 761 C TYR X 478 9.226 -5.339 8.357 1.00 65.31 C ATOM 762 O TYR X 478 10.415 -5.017 8.384 1.00 40.51 O ATOM 763 CB TYR X 478 7.493 -3.914 7.250 1.00 71.43 C ATOM 764 CG TYR X 478 6.600 -2.698 7.337 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.712 -2.537 8.394 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.640 -1.710 6.360 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.893 -1.428 8.477 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.826 -0.596 6.436 1.00 51.13 C ATOM 769 CZ TYR X 478 4.954 -0.460 7.496 1.00 63.32 C ATOM 770 OH TYR X 478 4.140 0.646 7.574 1.00 43.33 O ATOM 0 H TYR X 478 9.368 -2.619 8.730 1.00 41.35 H new ATOM 0 HA TYR X 478 7.366 -4.746 9.228 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.283 -3.723 6.524 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.911 -4.756 6.874 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.662 -3.293 9.164 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.319 -1.815 5.527 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.209 -1.319 9.305 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.872 0.164 5.670 1.00 51.13 H new ATOM 0 HH TYR X 478 4.308 1.231 6.806 1.00 43.33 H new ATOM 779 N THR X 479 8.819 -6.585 8.133 1.00 31.11 N ATOM 780 CA THR X 479 9.766 -7.667 7.901 1.00 32.34 C ATOM 781 C THR X 479 10.118 -7.782 6.422 1.00 71.23 C ATOM 782 O THR X 479 9.442 -7.208 5.566 1.00 3.54 O ATOM 783 CB THR X 479 9.207 -9.017 8.389 1.00 31.32 C ATOM 784 OG1 THR X 479 10.160 -10.058 8.148 1.00 41.35 O ATOM 785 CG2 THR X 479 7.899 -9.347 7.687 1.00 33.32 C ATOM 0 H THR X 479 7.840 -6.869 8.108 1.00 31.11 H new ATOM 0 HA THR X 479 10.665 -7.427 8.469 1.00 32.34 H new ATOM 0 HB THR X 479 9.017 -8.940 9.460 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.798 -10.912 8.463 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.524 -10.305 8.048 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.167 -8.568 7.897 1.00 33.32 H new ATOM 0 HG23 THR X 479 8.068 -9.406 6.612 1.00 33.32 H new ATOM 793 N LEU X 480 11.178 -8.525 6.127 1.00 51.22 N ATOM 794 CA LEU X 480 11.619 -8.717 4.749 1.00 73.24 C ATOM 795 C LEU X 480 10.461 -9.158 3.862 1.00 73.11 C ATOM 796 O LEU X 480 10.370 -8.762 2.699 1.00 12.40 O ATOM 797 CB LEU X 480 12.744 -9.752 4.692 1.00 54.35 C ATOM 798 CG LEU X 480 13.326 -10.034 3.306 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.821 -10.297 3.400 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.615 -11.215 2.660 1.00 24.30 C ATOM 0 H LEU X 480 11.749 -9.005 6.823 1.00 51.22 H new ATOM 0 HA LEU X 480 11.993 -7.763 4.378 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.552 -9.417 5.342 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.370 -10.689 5.105 1.00 54.35 H new ATOM 0 HG LEU X 480 13.170 -9.155 2.681 1.00 42.31 H new ATOM 0 HD11 LEU X 480 15.219 -10.496 2.405 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.318 -9.424 3.822 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.999 -11.160 4.041 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.042 -11.402 1.675 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.740 -12.100 3.283 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.553 -10.990 2.559 1.00 24.30 H new ATOM 811 N ARG X 481 9.576 -9.978 4.419 1.00 60.01 N ATOM 812 CA ARG X 481 8.422 -10.474 3.678 1.00 5.23 C ATOM 813 C ARG X 481 7.458 -9.336 3.349 1.00 63.40 C ATOM 814 O ARG X 481 7.059 -9.162 2.198 1.00 34.21 O ATOM 815 CB ARG X 481 7.696 -11.554 4.483 1.00 22.32 C ATOM 816 CG ARG X 481 6.727 -12.382 3.656 1.00 15.42 C ATOM 817 CD ARG X 481 6.573 -13.786 4.220 1.00 33.20 C ATOM 818 NE ARG X 481 5.727 -13.808 5.410 1.00 11.02 N ATOM 819 CZ ARG X 481 5.252 -14.923 5.954 1.00 23.35 C ATOM 820 NH1 ARG X 481 5.538 -16.101 5.416 1.00 64.23 N ATOM 821 NH2 ARG X 481 4.489 -14.861 7.037 1.00 54.34 N ATOM 0 H ARG X 481 9.636 -10.313 5.381 1.00 60.01 H new ATOM 0 HA ARG X 481 8.781 -10.907 2.744 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.434 -12.217 4.934 1.00 22.32 H new ATOM 0 HB3 ARG X 481 7.151 -11.081 5.300 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.755 -11.890 3.632 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.081 -12.439 2.627 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.144 -14.438 3.458 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.556 -14.187 4.467 1.00 33.20 H new ATOM 0 HE ARG X 481 5.488 -12.918 5.848 1.00 11.02 H new ATOM 0 HH11 ARG X 481 6.124 -16.152 4.583 1.00 64.23 H new ATOM 0 HH12 ARG X 481 5.172 -16.956 5.836 1.00 64.23 H new ATOM 0 HH21 ARG X 481 4.266 -13.957 7.453 1.00 54.34 H new ATOM 0 HH22 ARG X 481 4.125 -15.718 7.454 1.00 54.34 H new ATOM 832 N GLN X 482 7.089 -8.567 4.369 1.00 43.45 N ATOM 833 CA GLN X 482 6.173 -7.447 4.188 1.00 74.43 C ATOM 834 C GLN X 482 6.760 -6.411 3.236 1.00 15.22 C ATOM 835 O GLN X 482 6.137 -6.047 2.238 1.00 24.12 O ATOM 836 CB GLN X 482 5.855 -6.798 5.535 1.00 61.30 C ATOM 837 CG GLN X 482 4.984 -7.659 6.436 1.00 11.44 C ATOM 838 CD GLN X 482 3.758 -8.194 5.722 1.00 11.30 C ATOM 839 OE1 GLN X 482 2.708 -7.552 5.700 1.00 73.12 O ATOM 840 NE2 GLN X 482 3.885 -9.378 5.134 1.00 62.51 N ATOM 0 H GLN X 482 7.410 -8.699 5.328 1.00 43.45 H new ATOM 0 HA GLN X 482 5.251 -7.832 3.752 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.789 -6.576 6.051 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.353 -5.846 5.361 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.573 -8.494 6.814 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.670 -7.073 7.300 1.00 11.44 H new ATOM 0 HE21 GLN X 482 4.774 -9.876 5.177 1.00 62.51 H new ATOM 0 HE22 GLN X 482 3.093 -9.789 4.639 1.00 62.51 H new ATOM 847 N LEU X 483 7.961 -5.939 3.550 1.00 30.43 N ATOM 848 CA LEU X 483 8.633 -4.944 2.723 1.00 23.25 C ATOM 849 C LEU X 483 8.723 -5.411 1.274 1.00 43.34 C ATOM 850 O LEU X 483 8.342 -4.688 0.353 1.00 12.42 O ATOM 851 CB LEU X 483 10.034 -4.661 3.267 1.00 32.11 C ATOM 852 CG LEU X 483 10.668 -3.338 2.836 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.184 -2.200 3.720 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.186 -3.437 2.873 1.00 65.25 C ATOM 0 H LEU X 483 8.490 -6.230 4.372 1.00 30.43 H new ATOM 0 HA LEU X 483 8.046 -4.026 2.754 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.990 -4.682 4.356 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.692 -5.473 2.959 1.00 32.11 H new ATOM 0 HG LEU X 483 10.363 -3.128 1.811 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.646 -1.267 3.398 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.100 -2.114 3.642 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.458 -2.402 4.756 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.620 -2.486 2.563 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.511 -3.671 3.887 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.516 -4.225 2.195 1.00 65.25 H new ATOM 865 N ASP X 484 9.227 -6.624 1.079 1.00 4.40 N ATOM 866 CA ASP X 484 9.365 -7.190 -0.258 1.00 74.33 C ATOM 867 C ASP X 484 8.039 -7.131 -1.011 1.00 23.13 C ATOM 868 O ASP X 484 7.979 -6.656 -2.146 1.00 2.41 O ATOM 869 CB ASP X 484 9.854 -8.637 -0.175 1.00 53.22 C ATOM 870 CG ASP X 484 10.112 -9.240 -1.541 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.856 -8.622 -2.332 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.571 -10.330 -1.821 1.00 12.45 O ATOM 0 H ASP X 484 9.547 -7.235 1.830 1.00 4.40 H new ATOM 0 HA ASP X 484 10.100 -6.597 -0.803 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.770 -8.675 0.414 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.112 -9.239 0.350 1.00 53.22 H new ATOM 876 N TYR X 485 6.980 -7.616 -0.373 1.00 62.24 N ATOM 877 CA TYR X 485 5.657 -7.622 -0.985 1.00 54.52 C ATOM 878 C TYR X 485 5.254 -6.218 -1.426 1.00 35.33 C ATOM 879 O TYR X 485 4.636 -6.037 -2.475 1.00 43.32 O ATOM 880 CB TYR X 485 4.621 -8.177 -0.005 1.00 42.42 C ATOM 881 CG TYR X 485 3.556 -9.023 -0.664 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.789 -10.358 -0.968 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.315 -8.486 -0.984 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.819 -11.134 -1.571 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.337 -9.256 -1.586 1.00 35.54 C ATOM 886 CZ TYR X 485 1.595 -10.578 -1.878 1.00 72.11 C ATOM 887 OH TYR X 485 0.624 -11.348 -2.478 1.00 32.54 O ATOM 0 H TYR X 485 7.012 -8.010 0.567 1.00 62.24 H new ATOM 0 HA TYR X 485 5.695 -8.263 -1.866 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.131 -8.774 0.751 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.143 -7.346 0.515 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.746 -10.797 -0.728 1.00 11.33 H new ATOM 0 HD2 TYR X 485 2.111 -7.450 -0.759 1.00 34.51 H new ATOM 0 HE1 TYR X 485 3.018 -12.170 -1.801 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.377 -8.824 -1.826 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.179 -10.806 -2.626 1.00 32.54 H new ATOM 896 N ARG X 486 5.610 -5.226 -0.616 1.00 30.20 N ATOM 897 CA ARG X 486 5.285 -3.837 -0.921 1.00 23.23 C ATOM 898 C ARG X 486 6.085 -3.343 -2.123 1.00 23.24 C ATOM 899 O ARG X 486 5.549 -2.668 -3.002 1.00 73.10 O ATOM 900 CB ARG X 486 5.567 -2.948 0.292 1.00 32.34 C ATOM 901 CG ARG X 486 4.318 -2.551 1.060 1.00 43.42 C ATOM 902 CD ARG X 486 3.790 -3.703 1.900 1.00 11.40 C ATOM 903 NE ARG X 486 2.821 -4.515 1.169 1.00 15.11 N ATOM 904 CZ ARG X 486 1.940 -5.316 1.758 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.907 -5.412 3.081 1.00 34.32 N ATOM 906 NH2 ARG X 486 1.090 -6.024 1.026 1.00 1.14 N ATOM 0 H ARG X 486 6.123 -5.358 0.256 1.00 30.20 H new ATOM 0 HA ARG X 486 4.224 -3.783 -1.165 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.246 -3.471 0.965 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.080 -2.046 -0.041 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.541 -1.701 1.705 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.548 -2.226 0.361 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.622 -4.331 2.218 1.00 11.40 H new ATOM 0 HD3 ARG X 486 3.325 -3.309 2.803 1.00 11.40 H new ATOM 0 HE ARG X 486 2.821 -4.464 0.150 1.00 15.11 H new ATOM 0 HH11 ARG X 486 2.559 -4.870 3.648 1.00 34.32 H new ATOM 0 HH12 ARG X 486 1.230 -6.028 3.531 1.00 34.32 H new ATOM 0 HH21 ARG X 486 1.112 -5.954 0.009 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.414 -6.638 1.481 1.00 1.14 H new ATOM 917 N ILE X 487 7.368 -3.686 -2.155 1.00 12.05 N ATOM 918 CA ILE X 487 8.240 -3.279 -3.250 1.00 10.12 C ATOM 919 C ILE X 487 7.710 -3.778 -4.589 1.00 62.30 C ATOM 920 O ILE X 487 7.689 -3.040 -5.575 1.00 15.43 O ATOM 921 CB ILE X 487 9.675 -3.802 -3.052 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.297 -3.184 -1.797 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.524 -3.496 -4.276 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.322 -1.672 -1.817 1.00 35.13 C ATOM 0 H ILE X 487 7.827 -4.245 -1.435 1.00 12.05 H new ATOM 0 HA ILE X 487 8.256 -2.189 -3.251 1.00 10.12 H new ATOM 0 HB ILE X 487 9.637 -4.884 -2.922 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.739 -3.519 -0.922 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.316 -3.555 -1.686 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.535 -3.872 -4.121 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.088 -3.978 -5.151 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.558 -2.418 -4.435 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.776 -1.303 -0.897 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.905 -1.329 -2.672 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.303 -1.292 -1.896 1.00 35.13 H new ATOM 935 N LYS X 488 7.281 -5.035 -4.619 1.00 1.41 N ATOM 936 CA LYS X 488 6.748 -5.634 -5.836 1.00 43.53 C ATOM 937 C LYS X 488 5.354 -5.093 -6.142 1.00 53.44 C ATOM 938 O LYS X 488 4.950 -5.008 -7.303 1.00 72.22 O ATOM 939 CB LYS X 488 6.697 -7.157 -5.700 1.00 2.51 C ATOM 940 CG LYS X 488 5.877 -7.635 -4.514 1.00 3.34 C ATOM 941 CD LYS X 488 5.941 -9.146 -4.366 1.00 3.43 C ATOM 942 CE LYS X 488 5.387 -9.851 -5.594 1.00 41.43 C ATOM 943 NZ LYS X 488 3.948 -9.534 -5.813 1.00 22.33 N ATOM 0 H LYS X 488 7.292 -5.659 -3.813 1.00 1.41 H new ATOM 0 HA LYS X 488 7.410 -5.372 -6.661 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.280 -7.581 -6.614 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.713 -7.539 -5.606 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.244 -7.163 -3.603 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.840 -7.324 -4.638 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.974 -9.453 -4.204 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.376 -9.450 -3.485 1.00 3.43 H new ATOM 0 HE2 LYS X 488 5.962 -9.556 -6.472 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.508 -10.928 -5.480 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.418 -10.415 -5.967 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 3.570 -9.044 -4.978 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.851 -8.921 -6.648 1.00 22.33 H new ATOM 953 N LYS X 489 4.622 -4.729 -5.095 1.00 24.34 N ATOM 954 CA LYS X 489 3.274 -4.195 -5.251 1.00 21.32 C ATOM 955 C LYS X 489 3.313 -2.778 -5.815 1.00 63.33 C ATOM 956 O LYS X 489 2.551 -2.439 -6.721 1.00 53.33 O ATOM 957 CB LYS X 489 2.543 -4.201 -3.907 1.00 54.52 C ATOM 958 CG LYS X 489 1.461 -5.263 -3.807 1.00 54.51 C ATOM 959 CD LYS X 489 2.017 -6.652 -4.071 1.00 14.12 C ATOM 960 CE LYS X 489 1.532 -7.204 -5.402 1.00 62.31 C ATOM 961 NZ LYS X 489 0.530 -8.290 -5.220 1.00 3.10 N ATOM 0 H LYS X 489 4.940 -4.794 -4.128 1.00 24.34 H new ATOM 0 HA LYS X 489 2.736 -4.832 -5.953 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.269 -4.358 -3.109 1.00 54.52 H new ATOM 0 HB3 LYS X 489 2.095 -3.221 -3.742 1.00 54.52 H new ATOM 0 HG2 LYS X 489 1.011 -5.233 -2.815 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.669 -5.045 -4.523 1.00 54.51 H new ATOM 0 HD2 LYS X 489 3.106 -6.616 -4.067 1.00 14.12 H new ATOM 0 HD3 LYS X 489 1.717 -7.324 -3.267 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.092 -6.399 -5.990 1.00 62.31 H new ATOM 0 HE3 LYS X 489 2.382 -7.585 -5.968 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 0.224 -8.640 -6.150 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 0.957 -9.070 -4.680 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 -0.292 -7.920 -4.702 1.00 3.10 H new ATOM 971 N TYR X 490 4.205 -1.955 -5.274 1.00 63.10 N ATOM 972 CA TYR X 490 4.342 -0.575 -5.723 1.00 65.13 C ATOM 973 C TYR X 490 5.403 -0.460 -6.814 1.00 43.30 C ATOM 974 O TYR X 490 5.659 0.626 -7.333 1.00 45.35 O ATOM 975 CB TYR X 490 4.703 0.333 -4.546 1.00 31.24 C ATOM 976 CG TYR X 490 3.599 0.462 -3.521 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.476 1.239 -3.776 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.680 -0.191 -2.298 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.465 1.361 -2.841 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.674 -0.076 -1.358 1.00 30.22 C ATOM 981 CZ TYR X 490 1.569 0.702 -1.635 1.00 51.31 C ATOM 982 OH TYR X 490 0.564 0.820 -0.703 1.00 54.23 O ATOM 0 H TYR X 490 4.844 -2.220 -4.524 1.00 63.10 H new ATOM 0 HA TYR X 490 3.385 -0.257 -6.137 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.597 -0.056 -4.058 1.00 31.24 H new ATOM 0 HB3 TYR X 490 4.953 1.324 -4.925 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.391 1.756 -4.720 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.545 -0.799 -2.078 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.599 1.969 -3.054 1.00 71.23 H new ATOM 0 HE2 TYR X 490 2.752 -0.592 -0.412 1.00 30.22 H new ATOM 0 HH TYR X 490 0.365 -0.061 -0.323 1.00 54.23 H new ATOM 991 N GLY X 491 6.016 -1.588 -7.155 1.00 12.33 N ATOM 992 CA GLY X 491 7.042 -1.593 -8.182 1.00 73.13 C ATOM 993 C GLY X 491 8.115 -0.550 -7.935 1.00 70.25 C ATOM 994 O GLY X 491 8.524 0.157 -8.856 1.00 25.21 O ATOM 0 H GLY X 491 5.821 -2.499 -6.739 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.502 -2.580 -8.226 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.581 -1.412 -9.153 1.00 73.13 H new ATOM 998 N ILE X 492 8.569 -0.454 -6.690 1.00 33.34 N ATOM 999 CA ILE X 492 9.598 0.511 -6.326 1.00 12.35 C ATOM 1000 C ILE X 492 10.964 0.082 -6.853 1.00 73.33 C ATOM 1001 O ILE X 492 11.223 -1.107 -7.039 1.00 45.43 O ATOM 1002 CB ILE X 492 9.685 0.693 -4.799 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.285 0.862 -4.205 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.559 1.891 -4.458 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.276 0.938 -2.694 1.00 21.21 C ATOM 0 H ILE X 492 8.240 -1.033 -5.917 1.00 33.34 H new ATOM 0 HA ILE X 492 9.316 1.460 -6.782 1.00 12.35 H new ATOM 0 HB ILE X 492 10.139 -0.198 -4.366 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.834 1.768 -4.609 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.661 0.027 -4.523 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.611 2.007 -3.375 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.562 1.734 -4.855 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.131 2.791 -4.899 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.251 1.058 -2.342 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.697 0.021 -2.281 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.873 1.790 -2.369 1.00 21.21 H new ATOM 1016 N GLU X 493 11.833 1.059 -7.092 1.00 41.10 N ATOM 1017 CA GLU X 493 13.173 0.782 -7.597 1.00 52.04 C ATOM 1018 C GLU X 493 14.207 0.874 -6.477 1.00 43.33 C ATOM 1019 O GLU X 493 13.934 1.423 -5.409 1.00 63.45 O ATOM 1020 CB GLU X 493 13.532 1.759 -8.718 1.00 63.11 C ATOM 1021 CG GLU X 493 12.570 1.715 -9.893 1.00 11.52 C ATOM 1022 CD GLU X 493 13.149 0.993 -11.095 1.00 74.15 C ATOM 1023 OE1 GLU X 493 13.430 -0.219 -10.979 1.00 62.13 O ATOM 1024 OE2 GLU X 493 13.320 1.638 -12.150 1.00 70.23 O ATOM 0 H GLU X 493 11.634 2.048 -6.944 1.00 41.10 H new ATOM 0 HA GLU X 493 13.181 -0.233 -7.993 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.553 2.771 -8.314 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.538 1.537 -9.074 1.00 63.11 H new ATOM 0 HG2 GLU X 493 11.649 1.220 -9.585 1.00 11.52 H new ATOM 0 HG3 GLU X 493 12.304 2.733 -10.179 1.00 11.52 H new ATOM 1029 N LEU X 494 15.393 0.333 -6.730 1.00 43.24 N ATOM 1030 CA LEU X 494 16.468 0.353 -5.743 1.00 63.34 C ATOM 1031 C LEU X 494 17.762 -0.194 -6.338 1.00 40.01 C ATOM 1032 O LEU X 494 17.739 -1.003 -7.266 1.00 44.25 O ATOM 1033 CB LEU X 494 16.074 -0.465 -4.513 1.00 33.12 C ATOM 1034 CG LEU X 494 16.252 -1.979 -4.628 1.00 10.03 C ATOM 1035 CD1 LEU X 494 15.962 -2.654 -3.296 1.00 24.23 C ATOM 1036 CD2 LEU X 494 15.352 -2.541 -5.719 1.00 15.11 C ATOM 0 H LEU X 494 15.635 -0.125 -7.609 1.00 43.24 H new ATOM 0 HA LEU X 494 16.635 1.388 -5.444 1.00 63.34 H new ATOM 0 HB2 LEU X 494 16.661 -0.114 -3.665 1.00 33.12 H new ATOM 0 HB3 LEU X 494 15.028 -0.259 -4.284 1.00 33.12 H new ATOM 0 HG LEU X 494 17.288 -2.183 -4.898 1.00 10.03 H new ATOM 0 HD11 LEU X 494 16.094 -3.731 -3.398 1.00 24.23 H new ATOM 0 HD12 LEU X 494 16.648 -2.274 -2.539 1.00 24.23 H new ATOM 0 HD13 LEU X 494 14.936 -2.441 -2.996 1.00 24.23 H new ATOM 0 HD21 LEU X 494 15.492 -3.620 -5.786 1.00 15.11 H new ATOM 0 HD22 LEU X 494 14.311 -2.325 -5.479 1.00 15.11 H new ATOM 0 HD23 LEU X 494 15.607 -2.082 -6.674 1.00 15.11 H new ATOM 1047 N LYS X 495 18.891 0.252 -5.796 1.00 43.22 N ATOM 1048 CA LYS X 495 20.196 -0.194 -6.269 1.00 54.55 C ATOM 1049 C LYS X 495 20.433 -1.658 -5.911 1.00 21.15 C ATOM 1050 O LYS X 495 20.551 -2.512 -6.791 1.00 32.02 O ATOM 1051 CB LYS X 495 21.303 0.675 -5.670 1.00 21.55 C ATOM 1052 CG LYS X 495 22.695 0.092 -5.845 1.00 34.12 C ATOM 1053 CD LYS X 495 23.049 -0.076 -7.313 1.00 41.32 C ATOM 1054 CE LYS X 495 24.425 -0.698 -7.487 1.00 2.20 C ATOM 1055 NZ LYS X 495 25.492 0.335 -7.596 1.00 52.14 N ATOM 0 H LYS X 495 18.928 0.923 -5.028 1.00 43.22 H new ATOM 0 HA LYS X 495 20.214 -0.096 -7.354 1.00 54.55 H new ATOM 0 HB2 LYS X 495 21.270 1.661 -6.133 1.00 21.55 H new ATOM 0 HB3 LYS X 495 21.108 0.816 -4.607 1.00 21.55 H new ATOM 0 HG2 LYS X 495 23.426 0.743 -5.366 1.00 34.12 H new ATOM 0 HG3 LYS X 495 22.751 -0.874 -5.343 1.00 34.12 H new ATOM 0 HD2 LYS X 495 22.301 -0.703 -7.799 1.00 41.32 H new ATOM 0 HD3 LYS X 495 23.022 0.895 -7.808 1.00 41.32 H new ATOM 0 HE2 LYS X 495 24.638 -1.351 -6.641 1.00 2.20 H new ATOM 0 HE3 LYS X 495 24.431 -1.322 -8.381 1.00 2.20 H new ATOM 0 HZ1 LYS X 495 26.415 -0.130 -7.714 1.00 52.14 H new ATOM 0 HZ2 LYS X 495 25.304 0.943 -8.418 1.00 52.14 H new ATOM 0 HZ3 LYS X 495 25.504 0.914 -6.732 1.00 52.14 H new ATOM 1065 N LYS X 496 20.500 -1.941 -4.616 1.00 11.13 N ATOM 1066 CA LYS X 496 20.721 -3.302 -4.140 1.00 1.23 C ATOM 1067 C LYS X 496 19.691 -4.259 -4.732 1.00 15.31 C ATOM 1068 O LYS X 496 18.773 -3.840 -5.437 1.00 74.41 O ATOM 1069 CB LYS X 496 20.656 -3.347 -2.611 1.00 74.42 C ATOM 1070 CG LYS X 496 21.677 -4.283 -1.987 1.00 55.24 C ATOM 1071 CD LYS X 496 22.924 -3.534 -1.546 1.00 53.12 C ATOM 1072 CE LYS X 496 23.948 -3.448 -2.668 1.00 61.32 C ATOM 1073 NZ LYS X 496 25.334 -3.311 -2.144 1.00 24.42 N ATOM 0 H LYS X 496 20.404 -1.246 -3.876 1.00 11.13 H new ATOM 0 HA LYS X 496 21.713 -3.617 -4.464 1.00 1.23 H new ATOM 0 HB2 LYS X 496 20.810 -2.342 -2.219 1.00 74.42 H new ATOM 0 HB3 LYS X 496 19.657 -3.658 -2.307 1.00 74.42 H new ATOM 0 HG2 LYS X 496 21.233 -4.788 -1.129 1.00 55.24 H new ATOM 0 HG3 LYS X 496 21.951 -5.056 -2.706 1.00 55.24 H new ATOM 0 HD2 LYS X 496 22.651 -2.529 -1.223 1.00 53.12 H new ATOM 0 HD3 LYS X 496 23.366 -4.036 -0.686 1.00 53.12 H new ATOM 0 HE2 LYS X 496 23.881 -4.341 -3.290 1.00 61.32 H new ATOM 0 HE3 LYS X 496 23.716 -2.596 -3.307 1.00 61.32 H new ATOM 0 HZ1 LYS X 496 26.002 -3.256 -2.939 1.00 24.42 H new ATOM 0 HZ2 LYS X 496 25.405 -2.446 -1.571 1.00 24.42 H new ATOM 0 HZ3 LYS X 496 25.565 -4.136 -1.555 1.00 24.42 H new ATOM 1083 N PHE X 497 19.847 -5.546 -4.438 1.00 40.43 N ATOM 1084 CA PHE X 497 18.929 -6.561 -4.940 1.00 75.40 C ATOM 1085 C PHE X 497 18.057 -7.111 -3.815 1.00 35.52 C ATOM 1086 O PHE X 497 17.202 -7.967 -4.041 1.00 20.55 O ATOM 1087 CB PHE X 497 19.709 -7.701 -5.599 1.00 73.03 C ATOM 1088 CG PHE X 497 20.772 -7.230 -6.549 1.00 45.00 C ATOM 1089 CD1 PHE X 497 20.454 -6.892 -7.854 1.00 13.40 C ATOM 1090 CD2 PHE X 497 22.091 -7.124 -6.136 1.00 50.40 C ATOM 1091 CE1 PHE X 497 21.431 -6.458 -8.730 1.00 11.54 C ATOM 1092 CE2 PHE X 497 23.072 -6.691 -7.007 1.00 41.24 C ATOM 1093 CZ PHE X 497 22.742 -6.356 -8.306 1.00 51.22 C ATOM 0 H PHE X 497 20.600 -5.910 -3.855 1.00 40.43 H new ATOM 0 HA PHE X 497 18.281 -6.095 -5.682 1.00 75.40 H new ATOM 0 HB2 PHE X 497 20.171 -8.310 -4.822 1.00 73.03 H new ATOM 0 HB3 PHE X 497 19.012 -8.344 -6.136 1.00 73.03 H new ATOM 0 HD1 PHE X 497 19.431 -6.968 -8.191 1.00 13.40 H new ATOM 0 HD2 PHE X 497 22.355 -7.383 -5.121 1.00 50.40 H new ATOM 0 HE1 PHE X 497 21.170 -6.199 -9.745 1.00 11.54 H new ATOM 0 HE2 PHE X 497 24.096 -6.614 -6.673 1.00 41.24 H new ATOM 0 HZ PHE X 497 23.507 -6.015 -8.988 1.00 51.22 H new TER 1102 PHE X 497