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 Single : X 428 THR OG1 : rot 35:sc= 0.111 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+ -141:sc= -0.0769 (180deg=-1.38) USER MOD Single : X 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 443 THR OG1 : rot 180:sc= 0.0728 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+ 178:sc= 0 (180deg=-0.00496) USER MOD Single : X 456 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00385) USER MOD Single : X 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 465 THR OG1 : rot 13:sc= 0.427 USER MOD Single : X 467 TYR OH : rot 180:sc= 0 USER MOD Single : X 469 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0108) USER MOD Single : X 470 SER OG : rot 180:sc=0.000908 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= -0.328 USER MOD Single : X 482 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.27) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -137:sc= -0.158 (180deg=-1.04) USER MOD Single : X 489 LYS NZ :NH3+ -152:sc= -0.102 (180deg=-0.449) USER MOD Single : X 490 TYR OH : rot 90:sc= -1.19 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 14.200 -1.509 -11.904 1.00 5.00 N ATOM 2 CA THR X 428 12.994 -1.991 -12.566 1.00 12.01 C ATOM 3 C THR X 428 11.742 -1.457 -11.883 1.00 30.04 C ATOM 4 O THR X 428 11.617 -1.516 -10.660 1.00 12.04 O ATOM 5 CB THR X 428 12.940 -3.531 -12.582 1.00 24.02 C ATOM 6 OG1 THR X 428 13.040 -4.038 -11.247 1.00 71.40 O ATOM 7 CG2 THR X 428 14.063 -4.103 -13.433 1.00 53.21 C ATOM 0 HA THR X 428 13.028 -1.625 -13.592 1.00 12.01 H new ATOM 0 HB THR X 428 11.987 -3.835 -13.015 1.00 24.02 H new ATOM 0 HG1 THR X 428 12.582 -3.429 -10.631 1.00 71.40 H new ATOM 0 HG21 THR X 428 14.004 -5.191 -13.429 1.00 53.21 H new ATOM 0 HG22 THR X 428 13.967 -3.738 -14.456 1.00 53.21 H new ATOM 0 HG23 THR X 428 15.024 -3.790 -13.025 1.00 53.21 H new ATOM 15 N SER X 429 10.815 -0.937 -12.681 1.00 22.44 N ATOM 16 CA SER X 429 9.571 -0.388 -12.152 1.00 32.13 C ATOM 17 C SER X 429 8.366 -1.147 -12.700 1.00 55.14 C ATOM 18 O SER X 429 8.339 -1.529 -13.870 1.00 1.53 O ATOM 19 CB SER X 429 9.454 1.097 -12.502 1.00 32.21 C ATOM 20 OG SER X 429 8.442 1.724 -11.733 1.00 61.33 O ATOM 0 H SER X 429 10.901 -0.884 -13.696 1.00 22.44 H new ATOM 0 HA SER X 429 9.586 -0.498 -11.068 1.00 32.13 H new ATOM 0 HB2 SER X 429 10.409 1.592 -12.325 1.00 32.21 H new ATOM 0 HB3 SER X 429 9.230 1.207 -13.563 1.00 32.21 H new ATOM 0 HG SER X 429 8.388 2.672 -11.974 1.00 61.33 H new ATOM 25 N SER X 430 7.371 -1.361 -11.846 1.00 63.41 N ATOM 26 CA SER X 430 6.164 -2.077 -12.242 1.00 72.23 C ATOM 27 C SER X 430 4.919 -1.242 -11.962 1.00 21.21 C ATOM 28 O SER X 430 4.278 -1.393 -10.923 1.00 14.24 O ATOM 29 CB SER X 430 6.072 -3.413 -11.501 1.00 32.50 C ATOM 30 OG SER X 430 5.179 -4.298 -12.155 1.00 33.14 O ATOM 0 H SER X 430 7.377 -1.049 -10.875 1.00 63.41 H new ATOM 0 HA SER X 430 6.220 -2.266 -13.314 1.00 72.23 H new ATOM 0 HB2 SER X 430 7.061 -3.868 -11.441 1.00 32.50 H new ATOM 0 HB3 SER X 430 5.736 -3.243 -10.478 1.00 32.50 H new ATOM 0 HG SER X 430 5.139 -5.145 -11.663 1.00 33.14 H new ATOM 35 N GLU X 431 4.584 -0.359 -12.898 1.00 55.00 N ATOM 36 CA GLU X 431 3.417 0.502 -12.751 1.00 42.22 C ATOM 37 C GLU X 431 2.259 0.000 -13.608 1.00 20.45 C ATOM 38 O GLU X 431 2.454 -0.424 -14.749 1.00 73.30 O ATOM 39 CB GLU X 431 3.765 1.942 -13.139 1.00 41.44 C ATOM 40 CG GLU X 431 2.597 2.904 -13.012 1.00 32.03 C ATOM 41 CD GLU X 431 3.036 4.357 -13.000 1.00 12.42 C ATOM 42 OE1 GLU X 431 3.947 4.705 -13.781 1.00 11.15 O ATOM 43 OE2 GLU X 431 2.470 5.142 -12.212 1.00 75.10 O ATOM 0 H GLU X 431 5.104 -0.222 -13.765 1.00 55.00 H new ATOM 0 HA GLU X 431 3.110 0.479 -11.705 1.00 42.22 H new ATOM 0 HB2 GLU X 431 4.583 2.292 -12.509 1.00 41.44 H new ATOM 0 HB3 GLU X 431 4.126 1.955 -14.167 1.00 41.44 H new ATOM 0 HG2 GLU X 431 1.907 2.744 -13.841 1.00 32.03 H new ATOM 0 HG3 GLU X 431 2.050 2.686 -12.095 1.00 32.03 H new ATOM 48 N LEU X 432 1.053 0.048 -13.052 1.00 34.30 N ATOM 49 CA LEU X 432 -0.137 -0.402 -13.764 1.00 42.04 C ATOM 50 C LEU X 432 -0.622 0.663 -14.742 1.00 23.40 C ATOM 51 O LEU X 432 -0.345 1.852 -14.590 1.00 3.34 O ATOM 52 CB LEU X 432 -1.250 -0.745 -12.772 1.00 52.42 C ATOM 53 CG LEU X 432 -1.148 -2.111 -12.094 1.00 51.24 C ATOM 54 CD1 LEU X 432 -2.037 -2.164 -10.862 1.00 52.35 C ATOM 55 CD2 LEU X 432 -1.519 -3.219 -13.069 1.00 24.45 C ATOM 0 H LEU X 432 0.874 0.394 -12.109 1.00 34.30 H new ATOM 0 HA LEU X 432 0.125 -1.296 -14.330 1.00 42.04 H new ATOM 0 HB2 LEU X 432 -1.268 0.022 -11.998 1.00 52.42 H new ATOM 0 HB3 LEU X 432 -2.205 -0.692 -13.295 1.00 52.42 H new ATOM 0 HG LEU X 432 -0.116 -2.262 -11.778 1.00 51.24 H new ATOM 0 HD11 LEU X 432 -1.951 -3.144 -10.393 1.00 52.35 H new ATOM 0 HD12 LEU X 432 -1.726 -1.395 -10.155 1.00 52.35 H new ATOM 0 HD13 LEU X 432 -3.073 -1.991 -11.153 1.00 52.35 H new ATOM 0 HD21 LEU X 432 -1.441 -4.185 -12.569 1.00 24.45 H new ATOM 0 HD22 LEU X 432 -2.542 -3.071 -13.415 1.00 24.45 H new ATOM 0 HD23 LEU X 432 -0.840 -3.196 -13.922 1.00 24.45 H new ATOM 66 N PRO X 433 -1.367 0.228 -15.770 1.00 12.24 N ATOM 67 CA PRO X 433 -1.909 1.129 -16.791 1.00 22.13 C ATOM 68 C PRO X 433 -3.013 2.027 -16.245 1.00 60.12 C ATOM 69 O PRO X 433 -3.015 3.234 -16.481 1.00 4.12 O ATOM 70 CB PRO X 433 -2.471 0.171 -17.845 1.00 11.51 C ATOM 71 CG PRO X 433 -2.775 -1.080 -17.097 1.00 5.40 C ATOM 72 CD PRO X 433 -1.736 -1.176 -16.013 1.00 52.10 C ATOM 0 HA PRO X 433 -1.152 1.812 -17.176 1.00 22.13 H new ATOM 0 HB2 PRO X 433 -3.366 0.579 -18.314 1.00 11.51 H new ATOM 0 HB3 PRO X 433 -1.749 -0.009 -18.641 1.00 11.51 H new ATOM 0 HG2 PRO X 433 -3.779 -1.048 -16.674 1.00 5.40 H new ATOM 0 HG3 PRO X 433 -2.734 -1.948 -17.755 1.00 5.40 H new ATOM 0 HD2 PRO X 433 -2.134 -1.648 -15.115 1.00 52.10 H new ATOM 0 HD3 PRO X 433 -0.878 -1.768 -16.330 1.00 52.10 H new ATOM 77 N GLU X 434 -3.948 1.429 -15.513 1.00 43.15 N ATOM 78 CA GLU X 434 -5.057 2.179 -14.934 1.00 43.22 C ATOM 79 C GLU X 434 -5.879 1.297 -13.999 1.00 63.42 C ATOM 80 O GLU X 434 -6.078 0.109 -14.260 1.00 44.34 O ATOM 81 CB GLU X 434 -5.954 2.743 -16.039 1.00 71.33 C ATOM 82 CG GLU X 434 -6.400 4.173 -15.790 1.00 34.22 C ATOM 83 CD GLU X 434 -5.291 5.180 -16.029 1.00 41.40 C ATOM 84 OE1 GLU X 434 -4.370 5.258 -15.189 1.00 4.22 O ATOM 85 OE2 GLU X 434 -5.344 5.889 -17.056 1.00 13.12 O ATOM 0 H GLU X 434 -3.960 0.430 -15.307 1.00 43.15 H new ATOM 0 HA GLU X 434 -4.641 3.005 -14.357 1.00 43.22 H new ATOM 0 HB2 GLU X 434 -5.419 2.698 -16.988 1.00 71.33 H new ATOM 0 HB3 GLU X 434 -6.835 2.109 -16.139 1.00 71.33 H new ATOM 0 HG2 GLU X 434 -7.243 4.405 -16.441 1.00 34.22 H new ATOM 0 HG3 GLU X 434 -6.755 4.266 -14.763 1.00 34.22 H new ATOM 90 N LEU X 435 -6.354 1.884 -12.906 1.00 33.41 N ATOM 91 CA LEU X 435 -7.154 1.154 -11.929 1.00 1.10 C ATOM 92 C LEU X 435 -8.361 0.500 -12.595 1.00 42.22 C ATOM 93 O LEU X 435 -8.733 -0.626 -12.261 1.00 63.41 O ATOM 94 CB LEU X 435 -7.617 2.093 -10.815 1.00 71.34 C ATOM 95 CG LEU X 435 -8.135 3.460 -11.262 1.00 13.23 C ATOM 96 CD1 LEU X 435 -9.408 3.821 -10.512 1.00 51.12 C ATOM 97 CD2 LEU X 435 -7.070 4.528 -11.052 1.00 41.23 C ATOM 0 H LEU X 435 -6.199 2.865 -12.674 1.00 33.41 H new ATOM 0 HA LEU X 435 -6.531 0.370 -11.498 1.00 1.10 H new ATOM 0 HB2 LEU X 435 -8.406 1.594 -10.251 1.00 71.34 H new ATOM 0 HB3 LEU X 435 -6.784 2.249 -10.129 1.00 71.34 H new ATOM 0 HG LEU X 435 -8.367 3.409 -12.326 1.00 13.23 H new ATOM 0 HD11 LEU X 435 -9.761 4.797 -10.844 1.00 51.12 H new ATOM 0 HD12 LEU X 435 -10.173 3.071 -10.712 1.00 51.12 H new ATOM 0 HD13 LEU X 435 -9.203 3.854 -9.442 1.00 51.12 H new ATOM 0 HD21 LEU X 435 -7.456 5.495 -11.375 1.00 41.23 H new ATOM 0 HD22 LEU X 435 -6.807 4.577 -9.995 1.00 41.23 H new ATOM 0 HD23 LEU X 435 -6.184 4.277 -11.635 1.00 41.23 H new ATOM 108 N LEU X 436 -8.968 1.212 -13.537 1.00 10.10 N ATOM 109 CA LEU X 436 -10.133 0.700 -14.252 1.00 54.32 C ATOM 110 C LEU X 436 -9.735 -0.412 -15.217 1.00 4.13 C ATOM 111 O LEU X 436 -10.512 -1.329 -15.479 1.00 23.03 O ATOM 112 CB LEU X 436 -10.824 1.831 -15.016 1.00 2.34 C ATOM 113 CG LEU X 436 -10.013 2.474 -16.142 1.00 51.35 C ATOM 114 CD1 LEU X 436 -10.670 2.210 -17.488 1.00 70.33 C ATOM 115 CD2 LEU X 436 -9.861 3.968 -15.903 1.00 70.22 C ATOM 0 H LEU X 436 -8.674 2.145 -13.824 1.00 10.10 H new ATOM 0 HA LEU X 436 -10.826 0.288 -13.519 1.00 54.32 H new ATOM 0 HB2 LEU X 436 -11.751 1.444 -15.439 1.00 2.34 H new ATOM 0 HB3 LEU X 436 -11.099 2.609 -14.304 1.00 2.34 H new ATOM 0 HG LEU X 436 -9.019 2.026 -16.152 1.00 51.35 H new ATOM 0 HD11 LEU X 436 -10.080 2.674 -18.278 1.00 70.33 H new ATOM 0 HD12 LEU X 436 -10.726 1.135 -17.661 1.00 70.33 H new ATOM 0 HD13 LEU X 436 -11.675 2.631 -17.491 1.00 70.33 H new ATOM 0 HD21 LEU X 436 -9.281 4.409 -16.714 1.00 70.22 H new ATOM 0 HD22 LEU X 436 -10.846 4.433 -15.867 1.00 70.22 H new ATOM 0 HD23 LEU X 436 -9.346 4.135 -14.957 1.00 70.22 H new ATOM 126 N ARG X 437 -8.515 -0.325 -15.741 1.00 63.05 N ATOM 127 CA ARG X 437 -8.013 -1.324 -16.676 1.00 23.32 C ATOM 128 C ARG X 437 -7.810 -2.666 -15.980 1.00 23.54 C ATOM 129 O ARG X 437 -8.004 -3.725 -16.579 1.00 42.04 O ATOM 130 CB ARG X 437 -6.697 -0.855 -17.299 1.00 5.45 C ATOM 131 CG ARG X 437 -6.124 -1.828 -18.316 1.00 71.01 C ATOM 132 CD ARG X 437 -6.918 -1.810 -19.612 1.00 12.24 C ATOM 133 NE ARG X 437 -6.477 -0.746 -20.510 1.00 42.42 N ATOM 134 CZ ARG X 437 -7.055 -0.481 -21.676 1.00 44.34 C ATOM 135 NH1 ARG X 437 -8.094 -1.198 -22.083 1.00 31.32 N ATOM 136 NH2 ARG X 437 -6.596 0.503 -22.438 1.00 3.22 N ATOM 0 H ARG X 437 -7.858 0.427 -15.533 1.00 63.05 H new ATOM 0 HA ARG X 437 -8.754 -1.452 -17.465 1.00 23.32 H new ATOM 0 HB2 ARG X 437 -6.856 0.109 -17.781 1.00 5.45 H new ATOM 0 HB3 ARG X 437 -5.965 -0.698 -16.507 1.00 5.45 H new ATOM 0 HG2 ARG X 437 -5.085 -1.572 -18.521 1.00 71.01 H new ATOM 0 HG3 ARG X 437 -6.128 -2.835 -17.900 1.00 71.01 H new ATOM 0 HD2 ARG X 437 -6.816 -2.773 -20.113 1.00 12.24 H new ATOM 0 HD3 ARG X 437 -7.976 -1.679 -19.387 1.00 12.24 H new ATOM 0 HE ARG X 437 -5.681 -0.175 -20.226 1.00 42.42 H new ATOM 0 HH11 ARG X 437 -8.451 -1.955 -21.500 1.00 31.32 H new ATOM 0 HH12 ARG X 437 -8.536 -0.992 -22.979 1.00 31.32 H new ATOM 0 HH21 ARG X 437 -5.798 1.058 -22.129 1.00 3.22 H new ATOM 0 HH22 ARG X 437 -7.041 0.705 -23.333 1.00 3.22 H new ATOM 147 N LYS X 438 -7.418 -2.615 -14.712 1.00 1.54 N ATOM 148 CA LYS X 438 -7.188 -3.827 -13.933 1.00 61.22 C ATOM 149 C LYS X 438 -8.445 -4.688 -13.883 1.00 34.03 C ATOM 150 O LYS X 438 -9.405 -4.363 -13.185 1.00 2.32 O ATOM 151 CB LYS X 438 -6.747 -3.467 -12.511 1.00 61.01 C ATOM 152 CG LYS X 438 -6.091 -4.618 -11.768 1.00 54.31 C ATOM 153 CD LYS X 438 -5.298 -4.128 -10.569 1.00 10.44 C ATOM 154 CE LYS X 438 -6.203 -3.842 -9.381 1.00 64.13 C ATOM 155 NZ LYS X 438 -6.837 -2.498 -9.476 1.00 21.52 N ATOM 0 H LYS X 438 -7.253 -1.748 -14.201 1.00 1.54 H new ATOM 0 HA LYS X 438 -6.397 -4.398 -14.420 1.00 61.22 H new ATOM 0 HB2 LYS X 438 -6.050 -2.631 -12.557 1.00 61.01 H new ATOM 0 HB3 LYS X 438 -7.615 -3.128 -11.945 1.00 61.01 H new ATOM 0 HG2 LYS X 438 -6.855 -5.321 -11.437 1.00 54.31 H new ATOM 0 HG3 LYS X 438 -5.431 -5.160 -12.445 1.00 54.31 H new ATOM 0 HD2 LYS X 438 -4.557 -4.877 -10.291 1.00 10.44 H new ATOM 0 HD3 LYS X 438 -4.752 -3.224 -10.838 1.00 10.44 H new ATOM 0 HE2 LYS X 438 -6.978 -4.606 -9.323 1.00 64.13 H new ATOM 0 HE3 LYS X 438 -5.624 -3.906 -8.460 1.00 64.13 H new ATOM 0 HZ1 LYS X 438 -6.866 -2.060 -8.533 1.00 21.52 H new ATOM 0 HZ2 LYS X 438 -6.283 -1.897 -10.119 1.00 21.52 H new ATOM 0 HZ3 LYS X 438 -7.805 -2.596 -9.842 1.00 21.52 H new ATOM 165 N ARG X 439 -8.432 -5.789 -14.627 1.00 54.15 N ATOM 166 CA ARG X 439 -9.572 -6.698 -14.668 1.00 65.33 C ATOM 167 C ARG X 439 -9.255 -7.999 -13.937 1.00 4.53 C ATOM 168 O ARG X 439 -8.508 -8.838 -14.440 1.00 21.20 O ATOM 169 CB ARG X 439 -9.962 -6.997 -16.117 1.00 74.13 C ATOM 170 CG ARG X 439 -11.205 -7.861 -16.247 1.00 71.52 C ATOM 171 CD ARG X 439 -11.165 -8.707 -17.511 1.00 62.55 C ATOM 172 NE ARG X 439 -10.325 -9.891 -17.351 1.00 43.02 N ATOM 173 CZ ARG X 439 -10.279 -10.884 -18.231 1.00 12.42 C ATOM 174 NH1 ARG X 439 -11.021 -10.835 -19.330 1.00 31.31 N ATOM 175 NH2 ARG X 439 -9.491 -11.928 -18.015 1.00 4.14 N ATOM 0 H ARG X 439 -7.645 -6.074 -15.210 1.00 54.15 H new ATOM 0 HA ARG X 439 -10.410 -6.213 -14.166 1.00 65.33 H new ATOM 0 HB2 ARG X 439 -10.128 -6.056 -16.641 1.00 74.13 H new ATOM 0 HB3 ARG X 439 -9.129 -7.496 -16.613 1.00 74.13 H new ATOM 0 HG2 ARG X 439 -11.291 -8.510 -15.376 1.00 71.52 H new ATOM 0 HG3 ARG X 439 -12.091 -7.226 -16.260 1.00 71.52 H new ATOM 0 HD2 ARG X 439 -12.177 -9.014 -17.774 1.00 62.55 H new ATOM 0 HD3 ARG X 439 -10.789 -8.105 -18.338 1.00 62.55 H new ATOM 0 HE ARG X 439 -9.741 -9.959 -16.517 1.00 43.02 H new ATOM 0 HH11 ARG X 439 -11.628 -10.033 -19.500 1.00 31.31 H new ATOM 0 HH12 ARG X 439 -10.984 -11.599 -20.005 1.00 31.31 H new ATOM 0 HH21 ARG X 439 -8.919 -11.969 -17.172 1.00 4.14 H new ATOM 0 HH22 ARG X 439 -9.457 -12.690 -18.692 1.00 4.14 H new ATOM 186 N GLU X 440 -9.830 -8.159 -12.749 1.00 74.00 N ATOM 187 CA GLU X 440 -9.607 -9.358 -11.948 1.00 14.10 C ATOM 188 C GLU X 440 -10.797 -9.628 -11.032 1.00 65.23 C ATOM 189 O GLU X 440 -11.602 -8.737 -10.762 1.00 11.23 O ATOM 190 CB GLU X 440 -8.331 -9.213 -11.117 1.00 61.52 C ATOM 191 CG GLU X 440 -7.078 -9.680 -11.839 1.00 31.02 C ATOM 192 CD GLU X 440 -7.122 -11.155 -12.189 1.00 2.42 C ATOM 193 OE1 GLU X 440 -7.895 -11.894 -11.544 1.00 1.35 O ATOM 194 OE2 GLU X 440 -6.384 -11.569 -13.106 1.00 62.25 O ATOM 0 H GLU X 440 -10.453 -7.475 -12.320 1.00 74.00 H new ATOM 0 HA GLU X 440 -9.494 -10.203 -12.627 1.00 14.10 H new ATOM 0 HB2 GLU X 440 -8.209 -8.168 -10.834 1.00 61.52 H new ATOM 0 HB3 GLU X 440 -8.442 -9.782 -10.194 1.00 61.52 H new ATOM 0 HG2 GLU X 440 -6.951 -9.098 -12.751 1.00 31.02 H new ATOM 0 HG3 GLU X 440 -6.208 -9.485 -11.212 1.00 31.02 H new ATOM 199 N ARG X 441 -10.901 -10.865 -10.556 1.00 64.13 N ATOM 200 CA ARG X 441 -11.992 -11.254 -9.672 1.00 54.45 C ATOM 201 C ARG X 441 -11.753 -10.740 -8.254 1.00 4.51 C ATOM 202 O ARG X 441 -10.612 -10.650 -7.799 1.00 2.02 O ATOM 203 CB ARG X 441 -12.145 -12.776 -9.655 1.00 52.24 C ATOM 204 CG ARG X 441 -13.566 -13.242 -9.382 1.00 11.15 C ATOM 205 CD ARG X 441 -14.393 -13.281 -10.656 1.00 0.01 C ATOM 206 NE ARG X 441 -14.943 -11.971 -10.993 1.00 15.32 N ATOM 207 CZ ARG X 441 -15.975 -11.422 -10.362 1.00 50.33 C ATOM 208 NH1 ARG X 441 -16.566 -12.068 -9.367 1.00 12.34 N ATOM 209 NH2 ARG X 441 -16.417 -10.226 -10.726 1.00 45.05 N ATOM 0 H ARG X 441 -10.242 -11.614 -10.768 1.00 64.13 H new ATOM 0 HA ARG X 441 -12.911 -10.807 -10.052 1.00 54.45 H new ATOM 0 HB2 ARG X 441 -11.818 -13.176 -10.615 1.00 52.24 H new ATOM 0 HB3 ARG X 441 -11.483 -13.191 -8.895 1.00 52.24 H new ATOM 0 HG2 ARG X 441 -13.544 -14.234 -8.930 1.00 11.15 H new ATOM 0 HG3 ARG X 441 -14.037 -12.574 -8.661 1.00 11.15 H new ATOM 0 HD2 ARG X 441 -13.773 -13.636 -11.479 1.00 0.01 H new ATOM 0 HD3 ARG X 441 -15.207 -13.996 -10.538 1.00 0.01 H new ATOM 0 HE ARG X 441 -14.511 -11.449 -11.755 1.00 15.32 H new ATOM 0 HH11 ARG X 441 -16.229 -12.988 -9.085 1.00 12.34 H new ATOM 0 HH12 ARG X 441 -17.358 -11.645 -8.884 1.00 12.34 H new ATOM 0 HH21 ARG X 441 -15.964 -9.726 -11.491 1.00 45.05 H new ATOM 0 HH22 ARG X 441 -17.210 -9.806 -10.241 1.00 45.05 H new ATOM 220 N LYS X 442 -12.836 -10.404 -7.562 1.00 45.10 N ATOM 221 CA LYS X 442 -12.746 -9.900 -6.196 1.00 20.53 C ATOM 222 C LYS X 442 -11.828 -8.684 -6.126 1.00 51.34 C ATOM 223 O LYS X 442 -10.805 -8.704 -5.440 1.00 64.12 O ATOM 224 CB LYS X 442 -12.232 -10.995 -5.260 1.00 73.40 C ATOM 225 CG LYS X 442 -12.670 -10.817 -3.817 1.00 3.44 C ATOM 226 CD LYS X 442 -14.104 -11.276 -3.609 1.00 34.11 C ATOM 227 CE LYS X 442 -14.205 -12.794 -3.595 1.00 72.14 C ATOM 228 NZ LYS X 442 -15.607 -13.258 -3.788 1.00 14.41 N ATOM 0 H LYS X 442 -13.787 -10.471 -7.924 1.00 45.10 H new ATOM 0 HA LYS X 442 -13.744 -9.599 -5.879 1.00 20.53 H new ATOM 0 HB2 LYS X 442 -12.581 -11.963 -5.620 1.00 73.40 H new ATOM 0 HB3 LYS X 442 -11.143 -11.014 -5.301 1.00 73.40 H new ATOM 0 HG2 LYS X 442 -12.007 -11.383 -3.162 1.00 3.44 H new ATOM 0 HG3 LYS X 442 -12.578 -9.768 -3.535 1.00 3.44 H new ATOM 0 HD2 LYS X 442 -14.483 -10.876 -2.668 1.00 34.11 H new ATOM 0 HD3 LYS X 442 -14.735 -10.875 -4.403 1.00 34.11 H new ATOM 0 HE2 LYS X 442 -13.574 -13.207 -4.382 1.00 72.14 H new ATOM 0 HE3 LYS X 442 -13.824 -13.175 -2.648 1.00 72.14 H new ATOM 0 HZ1 LYS X 442 -15.634 -14.298 -3.772 1.00 14.41 H new ATOM 0 HZ2 LYS X 442 -16.205 -12.885 -3.023 1.00 14.41 H new ATOM 0 HZ3 LYS X 442 -15.963 -12.916 -4.704 1.00 14.41 H new ATOM 238 N THR X 443 -12.201 -7.624 -6.837 1.00 63.21 N ATOM 239 CA THR X 443 -11.411 -6.398 -6.853 1.00 54.10 C ATOM 240 C THR X 443 -11.665 -5.564 -5.603 1.00 60.12 C ATOM 241 O THR X 443 -12.777 -5.538 -5.078 1.00 33.34 O ATOM 242 CB THR X 443 -11.724 -5.547 -8.098 1.00 42.20 C ATOM 243 OG1 THR X 443 -13.097 -5.704 -8.467 1.00 34.22 O ATOM 244 CG2 THR X 443 -10.830 -5.944 -9.264 1.00 15.03 C ATOM 0 H THR X 443 -13.045 -7.590 -7.409 1.00 63.21 H new ATOM 0 HA THR X 443 -10.363 -6.696 -6.879 1.00 54.10 H new ATOM 0 HB THR X 443 -11.532 -4.502 -7.854 1.00 42.20 H new ATOM 0 HG1 THR X 443 -13.288 -5.158 -9.258 1.00 34.22 H new ATOM 0 HG21 THR X 443 -11.069 -5.329 -10.132 1.00 15.03 H new ATOM 0 HG22 THR X 443 -9.786 -5.793 -8.990 1.00 15.03 H new ATOM 0 HG23 THR X 443 -10.993 -6.994 -9.507 1.00 15.03 H new ATOM 252 N GLY X 444 -10.627 -4.881 -5.132 1.00 13.44 N ATOM 253 CA GLY X 444 -10.758 -4.054 -3.947 1.00 40.13 C ATOM 254 C GLY X 444 -9.429 -3.492 -3.481 1.00 0.11 C ATOM 255 O GLY X 444 -9.169 -3.410 -2.280 1.00 20.11 O ATOM 0 H GLY X 444 -9.697 -4.886 -5.550 1.00 13.44 H new ATOM 0 HA2 GLY X 444 -11.443 -3.232 -4.155 1.00 40.13 H new ATOM 0 HA3 GLY X 444 -11.201 -4.643 -3.144 1.00 40.13 H new ATOM 259 N ASP X 445 -8.587 -3.105 -4.432 1.00 33.42 N ATOM 260 CA ASP X 445 -7.278 -2.548 -4.113 1.00 63.12 C ATOM 261 C ASP X 445 -7.417 -1.240 -3.341 1.00 60.55 C ATOM 262 O ASP X 445 -8.524 -0.740 -3.140 1.00 54.13 O ATOM 263 CB ASP X 445 -6.473 -2.316 -5.393 1.00 22.50 C ATOM 264 CG ASP X 445 -4.976 -2.388 -5.157 1.00 62.43 C ATOM 265 OD1 ASP X 445 -4.506 -3.423 -4.641 1.00 43.22 O ATOM 266 OD2 ASP X 445 -4.278 -1.408 -5.489 1.00 53.12 O ATOM 0 H ASP X 445 -8.787 -3.167 -5.430 1.00 33.42 H new ATOM 0 HA ASP X 445 -6.749 -3.265 -3.485 1.00 63.12 H new ATOM 0 HB2 ASP X 445 -6.757 -3.060 -6.137 1.00 22.50 H new ATOM 0 HB3 ASP X 445 -6.726 -1.340 -5.806 1.00 22.50 H new ATOM 270 N LEU X 446 -6.286 -0.690 -2.911 1.00 61.11 N ATOM 271 CA LEU X 446 -6.281 0.560 -2.159 1.00 30.24 C ATOM 272 C LEU X 446 -6.384 1.759 -3.097 1.00 5.04 C ATOM 273 O LEU X 446 -6.080 1.676 -4.286 1.00 32.22 O ATOM 274 CB LEU X 446 -5.011 0.666 -1.314 1.00 51.31 C ATOM 275 CG LEU X 446 -5.035 -0.065 0.028 1.00 63.14 C ATOM 276 CD1 LEU X 446 -3.644 -0.102 0.642 1.00 35.14 C ATOM 277 CD2 LEU X 446 -6.021 0.598 0.979 1.00 71.04 C ATOM 0 H LEU X 446 -5.361 -1.090 -3.070 1.00 61.11 H new ATOM 0 HA LEU X 446 -7.149 0.562 -1.499 1.00 30.24 H new ATOM 0 HB2 LEU X 446 -4.176 0.281 -1.900 1.00 51.31 H new ATOM 0 HB3 LEU X 446 -4.810 1.721 -1.127 1.00 51.31 H new ATOM 0 HG LEU X 446 -5.361 -1.091 -0.146 1.00 63.14 H new ATOM 0 HD11 LEU X 446 -3.682 -0.626 1.597 1.00 35.14 H new ATOM 0 HD12 LEU X 446 -2.963 -0.622 -0.031 1.00 35.14 H new ATOM 0 HD13 LEU X 446 -3.289 0.916 0.801 1.00 35.14 H new ATOM 0 HD21 LEU X 446 -6.025 0.064 1.929 1.00 71.04 H new ATOM 0 HD22 LEU X 446 -5.725 1.634 1.146 1.00 71.04 H new ATOM 0 HD23 LEU X 446 -7.020 0.571 0.544 1.00 71.04 H new ATOM 288 N PRO X 447 -6.821 2.903 -2.550 1.00 40.52 N ATOM 289 CA PRO X 447 -6.970 4.142 -3.318 1.00 65.30 C ATOM 290 C PRO X 447 -5.627 4.737 -3.727 1.00 43.30 C ATOM 291 O PRO X 447 -4.584 4.097 -3.585 1.00 40.53 O ATOM 292 CB PRO X 447 -7.695 5.077 -2.347 1.00 62.33 C ATOM 293 CG PRO X 447 -7.341 4.566 -0.993 1.00 3.31 C ATOM 294 CD PRO X 447 -7.201 3.075 -1.137 1.00 33.20 C ATOM 0 HA PRO X 447 -7.505 3.979 -4.254 1.00 65.30 H new ATOM 0 HB2 PRO X 447 -7.372 6.110 -2.477 1.00 62.33 H new ATOM 0 HB3 PRO X 447 -8.773 5.057 -2.508 1.00 62.33 H new ATOM 0 HG2 PRO X 447 -6.412 5.013 -0.638 1.00 3.31 H new ATOM 0 HG3 PRO X 447 -8.114 4.817 -0.267 1.00 3.31 H new ATOM 0 HD2 PRO X 447 -6.441 2.676 -0.465 1.00 33.20 H new ATOM 0 HD3 PRO X 447 -8.133 2.560 -0.906 1.00 33.20 H new ATOM 299 N LYS X 448 -5.657 5.964 -4.235 1.00 14.21 N ATOM 300 CA LYS X 448 -4.442 6.646 -4.663 1.00 62.00 C ATOM 301 C LYS X 448 -3.756 7.327 -3.483 1.00 31.12 C ATOM 302 O LYS X 448 -2.528 7.390 -3.418 1.00 10.44 O ATOM 303 CB LYS X 448 -4.767 7.680 -5.743 1.00 73.50 C ATOM 304 CG LYS X 448 -3.626 7.921 -6.717 1.00 53.42 C ATOM 305 CD LYS X 448 -2.701 9.024 -6.229 1.00 4.51 C ATOM 306 CE LYS X 448 -3.130 10.385 -6.755 1.00 53.54 C ATOM 307 NZ LYS X 448 -2.448 11.498 -6.038 1.00 73.14 N ATOM 0 H LYS X 448 -6.511 6.507 -4.360 1.00 14.21 H new ATOM 0 HA LYS X 448 -3.762 5.900 -5.075 1.00 62.00 H new ATOM 0 HB2 LYS X 448 -5.644 7.349 -6.299 1.00 73.50 H new ATOM 0 HB3 LYS X 448 -5.030 8.623 -5.264 1.00 73.50 H new ATOM 0 HG2 LYS X 448 -3.058 7.000 -6.849 1.00 53.42 H new ATOM 0 HG3 LYS X 448 -4.030 8.189 -7.693 1.00 53.42 H new ATOM 0 HD2 LYS X 448 -2.695 9.039 -5.139 1.00 4.51 H new ATOM 0 HD3 LYS X 448 -1.681 8.814 -6.550 1.00 4.51 H new ATOM 0 HE2 LYS X 448 -2.907 10.449 -7.820 1.00 53.54 H new ATOM 0 HE3 LYS X 448 -4.209 10.492 -6.648 1.00 53.54 H new ATOM 0 HZ1 LYS X 448 -2.768 12.408 -6.426 1.00 73.14 H new ATOM 0 HZ2 LYS X 448 -2.680 11.453 -5.025 1.00 73.14 H new ATOM 0 HZ3 LYS X 448 -1.419 11.411 -6.161 1.00 73.14 H new ATOM 317 N PHE X 449 -4.557 7.834 -2.551 1.00 32.03 N ATOM 318 CA PHE X 449 -4.025 8.510 -1.373 1.00 42.40 C ATOM 319 C PHE X 449 -3.238 7.540 -0.498 1.00 34.02 C ATOM 320 O PHE X 449 -2.222 7.906 0.095 1.00 50.33 O ATOM 321 CB PHE X 449 -5.163 9.137 -0.563 1.00 23.45 C ATOM 322 CG PHE X 449 -4.695 10.154 0.439 1.00 70.52 C ATOM 323 CD1 PHE X 449 -3.940 11.244 0.039 1.00 0.32 C ATOM 324 CD2 PHE X 449 -5.011 10.019 1.781 1.00 43.20 C ATOM 325 CE1 PHE X 449 -3.508 12.182 0.958 1.00 14.43 C ATOM 326 CE2 PHE X 449 -4.583 10.953 2.705 1.00 54.21 C ATOM 327 CZ PHE X 449 -3.829 12.035 2.293 1.00 51.14 C ATOM 0 H PHE X 449 -5.575 7.790 -2.589 1.00 32.03 H new ATOM 0 HA PHE X 449 -3.350 9.297 -1.710 1.00 42.40 H new ATOM 0 HB2 PHE X 449 -5.868 9.610 -1.247 1.00 23.45 H new ATOM 0 HB3 PHE X 449 -5.705 8.348 -0.042 1.00 23.45 H new ATOM 0 HD1 PHE X 449 -3.686 11.363 -1.004 1.00 0.32 H new ATOM 0 HD2 PHE X 449 -5.599 9.174 2.109 1.00 43.20 H new ATOM 0 HE1 PHE X 449 -2.921 13.028 0.633 1.00 14.43 H new ATOM 0 HE2 PHE X 449 -4.838 10.837 3.748 1.00 54.21 H new ATOM 0 HZ PHE X 449 -3.491 12.765 3.014 1.00 51.14 H new ATOM 336 N ILE X 450 -3.713 6.301 -0.422 1.00 25.32 N ATOM 337 CA ILE X 450 -3.054 5.278 0.379 1.00 11.31 C ATOM 338 C ILE X 450 -1.828 4.722 -0.338 1.00 33.23 C ATOM 339 O ILE X 450 -0.748 4.626 0.242 1.00 25.32 O ATOM 340 CB ILE X 450 -4.011 4.117 0.710 1.00 11.41 C ATOM 341 CG1 ILE X 450 -5.167 4.614 1.580 1.00 44.32 C ATOM 342 CG2 ILE X 450 -3.259 2.993 1.407 1.00 35.30 C ATOM 343 CD1 ILE X 450 -4.737 5.052 2.962 1.00 52.51 C ATOM 0 H ILE X 450 -4.552 5.982 -0.906 1.00 25.32 H new ATOM 0 HA ILE X 450 -2.743 5.758 1.307 1.00 11.31 H new ATOM 0 HB ILE X 450 -4.423 3.728 -0.221 1.00 11.41 H new ATOM 0 HG12 ILE X 450 -5.656 5.449 1.078 1.00 44.32 H new ATOM 0 HG13 ILE X 450 -5.908 3.820 1.673 1.00 44.32 H new ATOM 0 HG21 ILE X 450 -3.949 2.180 1.634 1.00 35.30 H new ATOM 0 HG22 ILE X 450 -2.467 2.625 0.754 1.00 35.30 H new ATOM 0 HG23 ILE X 450 -2.821 3.367 2.333 1.00 35.30 H new ATOM 0 HD11 ILE X 450 -5.607 5.392 3.523 1.00 52.51 H new ATOM 0 HD12 ILE X 450 -4.275 4.213 3.482 1.00 52.51 H new ATOM 0 HD13 ILE X 450 -4.018 5.867 2.878 1.00 52.51 H new ATOM 354 N GLU X 451 -2.005 4.360 -1.605 1.00 1.30 N ATOM 355 CA GLU X 451 -0.912 3.815 -2.403 1.00 54.42 C ATOM 356 C GLU X 451 0.208 4.840 -2.564 1.00 44.11 C ATOM 357 O GLU X 451 1.377 4.480 -2.698 1.00 31.34 O ATOM 358 CB GLU X 451 -1.422 3.381 -3.778 1.00 73.44 C ATOM 359 CG GLU X 451 -1.524 4.521 -4.778 1.00 32.04 C ATOM 360 CD GLU X 451 -2.293 4.135 -6.027 1.00 20.32 C ATOM 361 OE1 GLU X 451 -3.267 3.364 -5.908 1.00 4.44 O ATOM 362 OE2 GLU X 451 -1.918 4.602 -7.122 1.00 72.52 O ATOM 0 H GLU X 451 -2.893 4.434 -2.101 1.00 1.30 H new ATOM 0 HA GLU X 451 -0.513 2.946 -1.880 1.00 54.42 H new ATOM 0 HB2 GLU X 451 -0.756 2.616 -4.178 1.00 73.44 H new ATOM 0 HB3 GLU X 451 -2.403 2.921 -3.663 1.00 73.44 H new ATOM 0 HG2 GLU X 451 -2.012 5.372 -4.304 1.00 32.04 H new ATOM 0 HG3 GLU X 451 -0.521 4.844 -5.058 1.00 32.04 H new ATOM 367 N GLU X 452 -0.161 6.116 -2.550 1.00 43.54 N ATOM 368 CA GLU X 452 0.813 7.194 -2.696 1.00 75.14 C ATOM 369 C GLU X 452 1.603 7.391 -1.406 1.00 10.33 C ATOM 370 O GLU X 452 2.831 7.482 -1.423 1.00 62.14 O ATOM 371 CB GLU X 452 0.110 8.497 -3.082 1.00 22.31 C ATOM 372 CG GLU X 452 1.060 9.666 -3.277 1.00 64.41 C ATOM 373 CD GLU X 452 1.857 9.561 -4.564 1.00 35.14 C ATOM 374 OE1 GLU X 452 2.752 8.694 -4.639 1.00 42.21 O ATOM 375 OE2 GLU X 452 1.583 10.346 -5.496 1.00 10.14 O ATOM 0 H GLU X 452 -1.125 6.430 -2.439 1.00 43.54 H new ATOM 0 HA GLU X 452 1.508 6.917 -3.488 1.00 75.14 H new ATOM 0 HB2 GLU X 452 -0.451 8.338 -4.003 1.00 22.31 H new ATOM 0 HB3 GLU X 452 -0.613 8.753 -2.308 1.00 22.31 H new ATOM 0 HG2 GLU X 452 0.491 10.595 -3.281 1.00 64.41 H new ATOM 0 HG3 GLU X 452 1.746 9.717 -2.432 1.00 64.41 H new ATOM 380 N THR X 453 0.889 7.458 -0.286 1.00 42.14 N ATOM 381 CA THR X 453 1.523 7.646 1.013 1.00 1.30 C ATOM 382 C THR X 453 2.308 6.407 1.427 1.00 30.24 C ATOM 383 O THR X 453 3.342 6.509 2.086 1.00 13.44 O ATOM 384 CB THR X 453 0.483 7.969 2.103 1.00 5.33 C ATOM 385 OG1 THR X 453 1.145 8.313 3.325 1.00 45.05 O ATOM 386 CG2 THR X 453 -0.441 6.783 2.338 1.00 64.03 C ATOM 0 H THR X 453 -0.128 7.385 -0.253 1.00 42.14 H new ATOM 0 HA THR X 453 2.207 8.488 0.912 1.00 1.30 H new ATOM 0 HB THR X 453 -0.116 8.814 1.764 1.00 5.33 H new ATOM 0 HG1 THR X 453 0.477 8.518 4.012 1.00 45.05 H new ATOM 0 HG21 THR X 453 -1.167 7.035 3.112 1.00 64.03 H new ATOM 0 HG22 THR X 453 -0.965 6.542 1.413 1.00 64.03 H new ATOM 0 HG23 THR X 453 0.146 5.922 2.658 1.00 64.03 H new ATOM 394 N GLU X 454 1.810 5.238 1.036 1.00 61.44 N ATOM 395 CA GLU X 454 2.467 3.980 1.367 1.00 4.33 C ATOM 396 C GLU X 454 3.732 3.791 0.537 1.00 54.22 C ATOM 397 O GLU X 454 4.801 3.490 1.070 1.00 33.03 O ATOM 398 CB GLU X 454 1.513 2.805 1.138 1.00 4.25 C ATOM 399 CG GLU X 454 1.923 1.537 1.869 1.00 54.45 C ATOM 400 CD GLU X 454 0.904 1.106 2.906 1.00 73.14 C ATOM 401 OE1 GLU X 454 -0.308 1.200 2.623 1.00 32.21 O ATOM 402 OE2 GLU X 454 1.320 0.675 4.002 1.00 25.31 O ATOM 0 H GLU X 454 0.954 5.137 0.490 1.00 61.44 H new ATOM 0 HA GLU X 454 2.746 4.012 2.420 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.512 3.092 1.460 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.457 2.596 0.070 1.00 4.25 H new ATOM 0 HG2 GLU X 454 2.062 0.734 1.145 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.885 1.697 2.355 1.00 54.45 H new ATOM 407 N LYS X 455 3.605 3.969 -0.774 1.00 25.33 N ATOM 408 CA LYS X 455 4.736 3.820 -1.681 1.00 0.54 C ATOM 409 C LYS X 455 5.837 4.823 -1.348 1.00 62.42 C ATOM 410 O LYS X 455 7.017 4.477 -1.313 1.00 21.12 O ATOM 411 CB LYS X 455 4.283 4.007 -3.130 1.00 34.23 C ATOM 412 CG LYS X 455 5.423 3.974 -4.134 1.00 13.52 C ATOM 413 CD LYS X 455 5.623 5.328 -4.795 1.00 51.32 C ATOM 414 CE LYS X 455 6.732 6.120 -4.120 1.00 3.43 C ATOM 415 NZ LYS X 455 7.480 6.966 -5.089 1.00 10.05 N ATOM 0 H LYS X 455 2.728 4.217 -1.232 1.00 25.33 H new ATOM 0 HA LYS X 455 5.136 2.814 -1.559 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.566 3.225 -3.381 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.760 4.959 -3.218 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.343 3.674 -3.632 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.216 3.223 -4.896 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.864 5.187 -5.849 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.693 5.895 -4.754 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.304 6.752 -3.341 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.422 5.433 -3.630 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.205 7.515 -4.584 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.938 6.359 -5.799 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 6.821 7.616 -5.563 1.00 10.05 H new ATOM 425 N LYS X 456 5.441 6.068 -1.103 1.00 23.55 N ATOM 426 CA LYS X 456 6.393 7.121 -0.770 1.00 51.54 C ATOM 427 C LYS X 456 7.139 6.793 0.518 1.00 23.14 C ATOM 428 O LYS X 456 8.331 7.077 0.646 1.00 54.11 O ATOM 429 CB LYS X 456 5.670 8.463 -0.625 1.00 65.35 C ATOM 430 CG LYS X 456 5.444 9.178 -1.946 1.00 12.34 C ATOM 431 CD LYS X 456 5.076 10.637 -1.734 1.00 41.13 C ATOM 432 CE LYS X 456 5.490 11.494 -2.920 1.00 35.30 C ATOM 433 NZ LYS X 456 4.483 11.448 -4.015 1.00 61.51 N ATOM 0 H LYS X 456 4.468 6.372 -1.129 1.00 23.55 H new ATOM 0 HA LYS X 456 7.118 7.191 -1.581 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.707 8.297 -0.142 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.250 9.109 0.034 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.346 9.114 -2.554 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.650 8.678 -2.500 1.00 12.34 H new ATOM 0 HD2 LYS X 456 4.001 10.723 -1.579 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.559 11.008 -0.830 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.625 12.525 -2.594 1.00 35.30 H new ATOM 0 HE3 LYS X 456 6.453 11.151 -3.298 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 4.785 12.071 -4.791 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.397 10.473 -4.367 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.562 11.768 -3.653 1.00 61.51 H new ATOM 443 N ARG X 457 6.433 6.192 1.471 1.00 71.11 N ATOM 444 CA ARG X 457 7.030 5.825 2.748 1.00 35.12 C ATOM 445 C ARG X 457 8.078 4.732 2.565 1.00 55.14 C ATOM 446 O ARG X 457 9.203 4.849 3.052 1.00 20.31 O ATOM 447 CB ARG X 457 5.950 5.350 3.723 1.00 21.50 C ATOM 448 CG ARG X 457 5.326 6.474 4.534 1.00 50.23 C ATOM 449 CD ARG X 457 6.349 7.141 5.440 1.00 12.04 C ATOM 450 NE ARG X 457 5.717 7.868 6.537 1.00 20.01 N ATOM 451 CZ ARG X 457 6.341 8.788 7.265 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.608 9.091 7.013 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.699 9.408 8.247 1.00 51.31 N ATOM 0 H ARG X 457 5.446 5.949 1.382 1.00 71.11 H new ATOM 0 HA ARG X 457 7.519 6.709 3.158 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.167 4.839 3.164 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.384 4.619 4.405 1.00 21.50 H new ATOM 0 HG2 ARG X 457 4.897 7.215 3.860 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.508 6.079 5.136 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.021 6.385 5.846 1.00 12.04 H new ATOM 0 HD3 ARG X 457 6.959 7.828 4.854 1.00 12.04 H new ATOM 0 HE ARG X 457 4.743 7.658 6.757 1.00 20.01 H new ATOM 0 HH11 ARG X 457 8.105 8.617 6.259 1.00 71.32 H new ATOM 0 HH12 ARG X 457 8.085 9.798 7.573 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.725 9.179 8.444 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.180 10.114 8.805 1.00 51.31 H new ATOM 464 N ILE X 458 7.702 3.670 1.859 1.00 20.05 N ATOM 465 CA ILE X 458 8.610 2.558 1.611 1.00 63.42 C ATOM 466 C ILE X 458 9.872 3.028 0.894 1.00 45.00 C ATOM 467 O ILE X 458 10.987 2.798 1.364 1.00 10.42 O ATOM 468 CB ILE X 458 7.936 1.457 0.770 1.00 44.32 C ATOM 469 CG1 ILE X 458 6.698 0.922 1.492 1.00 22.12 C ATOM 470 CG2 ILE X 458 8.919 0.331 0.485 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.022 0.080 2.706 1.00 74.53 C ATOM 0 H ILE X 458 6.775 3.557 1.449 1.00 20.05 H new ATOM 0 HA ILE X 458 8.879 2.147 2.584 1.00 63.42 H new ATOM 0 HB ILE X 458 7.622 1.887 -0.181 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.075 1.762 1.799 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.109 0.327 0.794 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.428 -0.439 -0.110 1.00 21.14 H new ATOM 0 HG22 ILE X 458 9.774 0.725 -0.065 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.261 -0.100 1.426 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.097 -0.265 3.167 1.00 74.53 H new ATOM 0 HD12 ILE X 458 7.619 -0.780 2.403 1.00 74.53 H new ATOM 0 HD13 ILE X 458 7.584 0.677 3.424 1.00 74.53 H new ATOM 482 N ILE X 459 9.688 3.687 -0.245 1.00 30.41 N ATOM 483 CA ILE X 459 10.812 4.191 -1.025 1.00 14.13 C ATOM 484 C ILE X 459 11.647 5.175 -0.213 1.00 54.12 C ATOM 485 O ILE X 459 12.873 5.198 -0.319 1.00 73.32 O ATOM 486 CB ILE X 459 10.336 4.883 -2.316 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.528 5.207 -3.217 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.558 6.148 -1.982 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.211 5.118 -4.694 1.00 14.20 C ATOM 0 H ILE X 459 8.772 3.884 -0.648 1.00 30.41 H new ATOM 0 HA ILE X 459 11.425 3.329 -1.289 1.00 14.13 H new ATOM 0 HB ILE X 459 9.674 4.203 -2.853 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.882 6.212 -2.990 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.344 4.522 -2.987 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.228 6.626 -2.904 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.690 5.892 -1.375 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.199 6.833 -1.427 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.102 5.360 -5.273 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.885 4.106 -4.936 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.417 5.823 -4.939 1.00 14.20 H new ATOM 500 N GLU X 460 10.975 5.984 0.600 1.00 70.03 N ATOM 501 CA GLU X 460 11.655 6.969 1.432 1.00 55.24 C ATOM 502 C GLU X 460 12.601 6.288 2.417 1.00 12.02 C ATOM 503 O GLU X 460 13.775 6.644 2.516 1.00 12.20 O ATOM 504 CB GLU X 460 10.637 7.821 2.190 1.00 64.30 C ATOM 505 CG GLU X 460 11.259 8.710 3.255 1.00 23.33 C ATOM 506 CD GLU X 460 10.304 9.778 3.753 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.077 9.551 3.697 1.00 74.02 O ATOM 508 OE2 GLU X 460 10.785 10.841 4.199 1.00 44.32 O ATOM 0 H GLU X 460 9.960 5.976 0.700 1.00 70.03 H new ATOM 0 HA GLU X 460 12.242 7.615 0.779 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.096 8.445 1.478 1.00 64.30 H new ATOM 0 HB3 GLU X 460 9.904 7.165 2.659 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.580 8.094 4.095 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.152 9.186 2.850 1.00 23.33 H new ATOM 513 N ALA X 461 12.080 5.307 3.147 1.00 23.10 N ATOM 514 CA ALA X 461 12.876 4.575 4.124 1.00 30.24 C ATOM 515 C ALA X 461 14.055 3.876 3.458 1.00 45.21 C ATOM 516 O ALA X 461 15.168 3.873 3.986 1.00 60.24 O ATOM 517 CB ALA X 461 12.008 3.565 4.861 1.00 43.23 C ATOM 0 H ALA X 461 11.109 5.001 3.080 1.00 23.10 H new ATOM 0 HA ALA X 461 13.272 5.291 4.844 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.615 3.025 5.588 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.202 4.086 5.377 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.584 2.859 4.146 1.00 43.23 H new ATOM 523 N LEU X 462 13.806 3.283 2.295 1.00 41.14 N ATOM 524 CA LEU X 462 14.848 2.579 1.556 1.00 32.12 C ATOM 525 C LEU X 462 16.002 3.516 1.215 1.00 23.05 C ATOM 526 O LEU X 462 17.156 3.238 1.538 1.00 51.52 O ATOM 527 CB LEU X 462 14.272 1.972 0.276 1.00 22.31 C ATOM 528 CG LEU X 462 13.604 0.605 0.422 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.732 0.304 -0.788 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.652 -0.483 0.610 1.00 72.43 C ATOM 0 H LEU X 462 12.891 3.276 1.844 1.00 41.14 H new ATOM 0 HA LEU X 462 15.230 1.779 2.189 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.542 2.669 -0.136 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.076 1.885 -0.455 1.00 22.31 H new ATOM 0 HG LEU X 462 12.967 0.626 1.306 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.265 -0.673 -0.666 1.00 13.41 H new ATOM 0 HD12 LEU X 462 11.959 1.067 -0.878 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.347 0.302 -1.688 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.159 -1.450 0.712 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.314 -0.503 -0.255 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.234 -0.276 1.508 1.00 72.43 H new ATOM 541 N GLU X 463 15.680 4.628 0.561 1.00 4.01 N ATOM 542 CA GLU X 463 16.690 5.607 0.177 1.00 14.12 C ATOM 543 C GLU X 463 17.428 6.137 1.403 1.00 33.23 C ATOM 544 O GLU X 463 18.632 6.388 1.358 1.00 3.32 O ATOM 545 CB GLU X 463 16.045 6.767 -0.584 1.00 41.55 C ATOM 546 CG GLU X 463 15.133 6.320 -1.715 1.00 22.34 C ATOM 547 CD GLU X 463 15.590 6.830 -3.068 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.154 7.943 -3.122 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.383 6.118 -4.072 1.00 1.41 O ATOM 0 H GLU X 463 14.729 4.873 0.286 1.00 4.01 H new ATOM 0 HA GLU X 463 17.410 5.111 -0.473 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.471 7.375 0.115 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.830 7.404 -0.991 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.093 5.231 -1.736 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.120 6.673 -1.521 1.00 22.34 H new ATOM 554 N LYS X 464 16.695 6.306 2.499 1.00 23.51 N ATOM 555 CA LYS X 464 17.277 6.807 3.740 1.00 44.12 C ATOM 556 C LYS X 464 18.122 5.732 4.415 1.00 71.21 C ATOM 557 O LYS X 464 19.020 6.036 5.203 1.00 34.14 O ATOM 558 CB LYS X 464 16.175 7.277 4.691 1.00 41.33 C ATOM 559 CG LYS X 464 15.511 8.573 4.259 1.00 1.43 C ATOM 560 CD LYS X 464 14.235 8.834 5.043 1.00 74.45 C ATOM 561 CE LYS X 464 14.517 9.605 6.324 1.00 13.32 C ATOM 562 NZ LYS X 464 14.675 11.064 6.069 1.00 54.43 N ATOM 0 H LYS X 464 15.697 6.103 2.553 1.00 23.51 H new ATOM 0 HA LYS X 464 17.921 7.652 3.496 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.416 6.498 4.768 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.598 7.410 5.687 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.203 9.403 4.402 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.282 8.528 3.194 1.00 1.43 H new ATOM 0 HD2 LYS X 464 13.535 9.396 4.425 1.00 74.45 H new ATOM 0 HD3 LYS X 464 13.755 7.886 5.286 1.00 74.45 H new ATOM 0 HE2 LYS X 464 13.703 9.446 7.031 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.423 9.217 6.789 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.866 11.555 6.966 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 15.468 11.218 5.414 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 13.801 11.440 5.648 1.00 54.43 H new ATOM 572 N THR X 465 17.832 4.473 4.103 1.00 13.11 N ATOM 573 CA THR X 465 18.565 3.353 4.680 1.00 52.11 C ATOM 574 C THR X 465 19.726 2.937 3.783 1.00 75.51 C ATOM 575 O THR X 465 20.623 2.210 4.211 1.00 65.34 O ATOM 576 CB THR X 465 17.647 2.138 4.909 1.00 42.21 C ATOM 577 OG1 THR X 465 16.939 1.826 3.704 1.00 52.14 O ATOM 578 CG2 THR X 465 16.655 2.414 6.029 1.00 61.42 C ATOM 0 H THR X 465 17.094 4.203 3.453 1.00 13.11 H new ATOM 0 HA THR X 465 18.953 3.690 5.641 1.00 52.11 H new ATOM 0 HB THR X 465 18.268 1.289 5.196 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.342 2.309 2.953 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.017 1.542 6.173 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.197 2.624 6.951 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.040 3.274 5.766 1.00 61.42 H new ATOM 586 N GLY X 466 19.703 3.401 2.538 1.00 31.45 N ATOM 587 CA GLY X 466 20.760 3.066 1.601 1.00 73.12 C ATOM 588 C GLY X 466 20.356 1.962 0.643 1.00 2.02 C ATOM 589 O GLY X 466 21.163 1.093 0.311 1.00 72.31 O ATOM 0 H GLY X 466 18.971 4.003 2.161 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.033 3.955 1.032 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.647 2.757 2.154 1.00 73.12 H new ATOM 593 N TYR X 467 19.105 1.996 0.198 1.00 22.12 N ATOM 594 CA TYR X 467 18.595 0.988 -0.725 1.00 42.34 C ATOM 595 C TYR X 467 18.687 -0.406 -0.114 1.00 41.45 C ATOM 596 O TYR X 467 18.811 -1.402 -0.827 1.00 0.12 O ATOM 597 CB TYR X 467 19.371 1.034 -2.042 1.00 12.11 C ATOM 598 CG TYR X 467 19.276 2.362 -2.757 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.045 2.878 -3.144 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.416 3.103 -3.043 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.953 4.091 -3.799 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.333 4.318 -3.696 1.00 24.43 C ATOM 603 CZ TYR X 467 19.099 4.807 -4.072 1.00 42.32 C ATOM 604 OH TYR X 467 19.011 6.017 -4.722 1.00 45.41 O ATOM 0 H TYR X 467 18.426 2.710 0.461 1.00 22.12 H new ATOM 0 HA TYR X 467 17.546 1.209 -0.922 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.420 0.812 -1.844 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.999 0.249 -2.701 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.145 2.321 -2.929 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.383 2.723 -2.750 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.989 4.476 -4.096 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.229 4.882 -3.911 1.00 24.43 H new ATOM 0 HH TYR X 467 19.909 6.393 -4.836 1.00 45.41 H new ATOM 613 N VAL X 468 18.624 -0.470 1.212 1.00 21.22 N ATOM 614 CA VAL X 468 18.698 -1.742 1.920 1.00 11.54 C ATOM 615 C VAL X 468 17.316 -2.205 2.364 1.00 22.10 C ATOM 616 O VAL X 468 16.586 -1.469 3.030 1.00 25.15 O ATOM 617 CB VAL X 468 19.616 -1.645 3.153 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.766 -3.005 3.817 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.974 -1.081 2.764 1.00 32.52 C ATOM 0 H VAL X 468 18.522 0.344 1.818 1.00 21.22 H new ATOM 0 HA VAL X 468 19.114 -2.469 1.223 1.00 11.54 H new ATOM 0 HB VAL X 468 19.158 -0.965 3.871 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.418 -2.916 4.686 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.787 -3.365 4.133 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.200 -3.710 3.108 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.609 -1.020 3.648 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.441 -1.733 2.026 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.846 -0.085 2.339 1.00 32.52 H new ATOM 629 N LYS X 469 16.960 -3.430 1.993 1.00 2.33 N ATOM 630 CA LYS X 469 15.665 -3.994 2.354 1.00 73.34 C ATOM 631 C LYS X 469 15.593 -4.276 3.851 1.00 0.52 C ATOM 632 O LYS X 469 14.606 -3.945 4.508 1.00 43.22 O ATOM 633 CB LYS X 469 15.410 -5.283 1.568 1.00 64.33 C ATOM 634 CG LYS X 469 15.190 -5.056 0.083 1.00 65.33 C ATOM 635 CD LYS X 469 13.715 -4.886 -0.243 1.00 74.35 C ATOM 636 CE LYS X 469 13.379 -5.448 -1.615 1.00 63.33 C ATOM 637 NZ LYS X 469 12.921 -6.862 -1.540 1.00 50.11 N ATOM 0 H LYS X 469 17.551 -4.052 1.442 1.00 2.33 H new ATOM 0 HA LYS X 469 14.896 -3.264 2.102 1.00 73.34 H new ATOM 0 HB2 LYS X 469 16.258 -5.955 1.703 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.536 -5.785 1.984 1.00 64.33 H new ATOM 0 HG2 LYS X 469 15.738 -4.170 -0.236 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.593 -5.899 -0.478 1.00 65.33 H new ATOM 0 HD2 LYS X 469 13.114 -5.389 0.514 1.00 74.35 H new ATOM 0 HD3 LYS X 469 13.453 -3.829 -0.208 1.00 74.35 H new ATOM 0 HE2 LYS X 469 12.602 -4.839 -2.076 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.257 -5.385 -2.258 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 12.638 -7.186 -2.487 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 13.696 -7.460 -1.187 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 12.109 -6.930 -0.894 1.00 50.11 H new ATOM 647 N SER X 470 16.644 -4.889 4.385 1.00 71.13 N ATOM 648 CA SER X 470 16.699 -5.218 5.805 1.00 51.22 C ATOM 649 C SER X 470 16.536 -3.964 6.658 1.00 51.22 C ATOM 650 O SER X 470 15.674 -3.905 7.535 1.00 14.32 O ATOM 651 CB SER X 470 18.022 -5.908 6.139 1.00 52.44 C ATOM 652 OG SER X 470 18.324 -6.918 5.192 1.00 5.24 O ATOM 0 H SER X 470 17.470 -5.168 3.856 1.00 71.13 H new ATOM 0 HA SER X 470 15.877 -5.898 6.028 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.825 -5.171 6.158 1.00 52.44 H new ATOM 0 HB3 SER X 470 17.966 -6.345 7.136 1.00 52.44 H new ATOM 0 HG SER X 470 19.175 -7.343 5.427 1.00 5.24 H new ATOM 657 N ARG X 471 17.371 -2.965 6.396 1.00 75.24 N ATOM 658 CA ARG X 471 17.322 -1.712 7.140 1.00 11.02 C ATOM 659 C ARG X 471 15.985 -1.007 6.930 1.00 64.24 C ATOM 660 O ARG X 471 15.390 -0.488 7.875 1.00 23.30 O ATOM 661 CB ARG X 471 18.467 -0.794 6.713 1.00 3.34 C ATOM 662 CG ARG X 471 19.845 -1.347 7.038 1.00 74.42 C ATOM 663 CD ARG X 471 20.922 -0.700 6.180 1.00 11.42 C ATOM 664 NE ARG X 471 22.015 -1.623 5.885 1.00 42.13 N ATOM 665 CZ ARG X 471 23.194 -1.239 5.411 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.433 0.044 5.180 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.138 -2.138 5.168 1.00 13.40 N ATOM 0 H ARG X 471 18.090 -2.998 5.674 1.00 75.24 H new ATOM 0 HA ARG X 471 17.429 -1.944 8.200 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.399 -0.618 5.639 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.348 0.173 7.202 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.067 -1.177 8.092 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.852 -2.426 6.880 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.481 -0.351 5.247 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.317 0.177 6.694 1.00 11.42 H new ATOM 0 HE ARG X 471 21.864 -2.618 6.053 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.710 0.739 5.366 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.340 0.336 4.816 1.00 54.24 H new ATOM 0 HH21 ARG X 471 23.959 -3.126 5.345 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.043 -1.841 4.804 1.00 13.40 H new ATOM 678 N ALA X 472 15.519 -0.993 5.686 1.00 63.50 N ATOM 679 CA ALA X 472 14.252 -0.353 5.352 1.00 51.02 C ATOM 680 C ALA X 472 13.090 -1.023 6.078 1.00 14.44 C ATOM 681 O ALA X 472 12.195 -0.352 6.589 1.00 62.31 O ATOM 682 CB ALA X 472 14.026 -0.384 3.848 1.00 12.21 C ATOM 0 H ALA X 472 15.999 -1.417 4.893 1.00 63.50 H new ATOM 0 HA ALA X 472 14.300 0.685 5.680 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.077 0.097 3.613 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.836 0.147 3.347 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.004 -1.418 3.505 1.00 12.21 H new ATOM 688 N ALA X 473 13.111 -2.351 6.117 1.00 33.12 N ATOM 689 CA ALA X 473 12.060 -3.112 6.781 1.00 5.31 C ATOM 690 C ALA X 473 12.012 -2.796 8.272 1.00 1.25 C ATOM 691 O ALA X 473 10.962 -2.444 8.809 1.00 50.13 O ATOM 692 CB ALA X 473 12.269 -4.603 6.562 1.00 61.31 C ATOM 0 H ALA X 473 13.844 -2.922 5.697 1.00 33.12 H new ATOM 0 HA ALA X 473 11.104 -2.822 6.344 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.477 -5.159 7.063 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.245 -4.821 5.494 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.235 -4.899 6.971 1.00 61.31 H new ATOM 698 N LYS X 474 13.155 -2.927 8.936 1.00 62.03 N ATOM 699 CA LYS X 474 13.245 -2.654 10.366 1.00 24.40 C ATOM 700 C LYS X 474 12.879 -1.205 10.668 1.00 54.40 C ATOM 701 O LYS X 474 12.296 -0.905 11.711 1.00 74.45 O ATOM 702 CB LYS X 474 14.658 -2.951 10.875 1.00 34.32 C ATOM 703 CG LYS X 474 15.729 -2.081 10.240 1.00 3.21 C ATOM 704 CD LYS X 474 17.090 -2.322 10.870 1.00 54.32 C ATOM 705 CE LYS X 474 17.340 -1.376 12.034 1.00 20.00 C ATOM 706 NZ LYS X 474 18.795 -1.174 12.280 1.00 3.13 N ATOM 0 H LYS X 474 14.033 -3.221 8.507 1.00 62.03 H new ATOM 0 HA LYS X 474 12.536 -3.304 10.879 1.00 24.40 H new ATOM 0 HB2 LYS X 474 14.682 -2.812 11.956 1.00 34.32 H new ATOM 0 HB3 LYS X 474 14.892 -3.998 10.683 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.780 -2.288 9.171 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.458 -1.031 10.349 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.154 -3.353 11.217 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.869 -2.190 10.119 1.00 54.32 H new ATOM 0 HE2 LYS X 474 16.869 -0.415 11.829 1.00 20.00 H new ATOM 0 HE3 LYS X 474 16.871 -1.775 12.934 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 18.925 -0.523 13.081 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.240 -2.088 12.501 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 19.238 -0.770 11.430 1.00 3.13 H new ATOM 716 N LEU X 475 13.222 -0.309 9.750 1.00 10.44 N ATOM 717 CA LEU X 475 12.927 1.110 9.917 1.00 74.31 C ATOM 718 C LEU X 475 11.434 1.379 9.757 1.00 24.12 C ATOM 719 O LEU X 475 10.817 2.035 10.598 1.00 74.13 O ATOM 720 CB LEU X 475 13.718 1.938 8.903 1.00 52.05 C ATOM 721 CG LEU X 475 13.985 3.394 9.288 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.000 4.019 8.344 1.00 24.51 C ATOM 723 CD2 LEU X 475 12.689 4.193 9.285 1.00 53.02 C ATOM 0 H LEU X 475 13.705 -0.540 8.882 1.00 10.44 H new ATOM 0 HA LEU X 475 13.223 1.401 10.925 1.00 74.31 H new ATOM 0 HB2 LEU X 475 14.676 1.447 8.731 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.179 1.927 7.955 1.00 52.05 H new ATOM 0 HG LEU X 475 14.398 3.413 10.296 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.177 5.055 8.634 1.00 24.51 H new ATOM 0 HD12 LEU X 475 15.936 3.463 8.396 1.00 24.51 H new ATOM 0 HD13 LEU X 475 14.616 3.988 7.324 1.00 24.51 H new ATOM 0 HD21 LEU X 475 12.898 5.226 9.561 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.247 4.166 8.289 1.00 53.02 H new ATOM 0 HD23 LEU X 475 11.993 3.759 10.003 1.00 53.02 H new ATOM 734 N LEU X 476 10.859 0.867 8.674 1.00 14.12 N ATOM 735 CA LEU X 476 9.437 1.050 8.405 1.00 2.33 C ATOM 736 C LEU X 476 8.589 0.287 9.418 1.00 41.31 C ATOM 737 O LEU X 476 7.422 0.613 9.637 1.00 65.41 O ATOM 738 CB LEU X 476 9.103 0.583 6.988 1.00 21.22 C ATOM 739 CG LEU X 476 9.738 1.382 5.850 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.952 0.499 4.631 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.875 2.584 5.496 1.00 71.10 C ATOM 0 H LEU X 476 11.355 0.322 7.969 1.00 14.12 H new ATOM 0 HA LEU X 476 9.208 2.112 8.494 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.409 -0.458 6.889 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.020 0.610 6.864 1.00 21.22 H new ATOM 0 HG LEU X 476 10.710 1.744 6.185 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.405 1.086 3.832 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.612 -0.328 4.892 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.993 0.106 4.294 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.343 3.141 4.684 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.888 2.244 5.182 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.775 3.230 6.368 1.00 71.10 H new ATOM 752 N GLY X 477 9.183 -0.729 10.034 1.00 45.23 N ATOM 753 CA GLY X 477 8.468 -1.521 11.018 1.00 22.13 C ATOM 754 C GLY X 477 7.870 -2.781 10.425 1.00 61.31 C ATOM 755 O GLY X 477 7.012 -3.418 11.037 1.00 35.21 O ATOM 0 H GLY X 477 10.147 -1.019 9.870 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.148 -1.791 11.826 1.00 22.13 H new ATOM 0 HA3 GLY X 477 7.674 -0.918 11.458 1.00 22.13 H new ATOM 759 N TYR X 478 8.322 -3.142 9.229 1.00 41.35 N ATOM 760 CA TYR X 478 7.823 -4.332 8.551 1.00 51.13 C ATOM 761 C TYR X 478 8.933 -5.364 8.374 1.00 65.31 C ATOM 762 O TYR X 478 10.118 -5.040 8.453 1.00 40.51 O ATOM 763 CB TYR X 478 7.236 -3.960 7.189 1.00 71.43 C ATOM 764 CG TYR X 478 6.359 -2.729 7.223 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.459 -2.522 8.261 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.430 -1.773 6.217 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.655 -1.399 8.296 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.630 -0.647 6.245 1.00 51.13 C ATOM 769 CZ TYR X 478 4.744 -0.464 7.287 1.00 63.32 C ATOM 770 OH TYR X 478 3.946 0.657 7.318 1.00 43.33 O ATOM 0 H TYR X 478 9.033 -2.627 8.709 1.00 41.35 H new ATOM 0 HA TYR X 478 7.040 -4.770 9.170 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.051 -3.796 6.484 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.653 -4.801 6.812 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.387 -3.251 9.054 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.122 -1.913 5.400 1.00 30.21 H new ATOM 0 HE1 TYR X 478 3.960 -1.254 9.110 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.698 0.086 5.455 1.00 51.13 H new ATOM 0 HH TYR X 478 4.134 1.214 6.534 1.00 43.33 H new ATOM 779 N THR X 479 8.540 -6.611 8.133 1.00 31.11 N ATOM 780 CA THR X 479 9.498 -7.692 7.946 1.00 32.34 C ATOM 781 C THR X 479 9.909 -7.816 6.482 1.00 71.23 C ATOM 782 O THR X 479 9.255 -7.264 5.596 1.00 3.54 O ATOM 783 CB THR X 479 8.926 -9.040 8.422 1.00 31.32 C ATOM 784 OG1 THR X 479 9.880 -10.085 8.196 1.00 41.35 O ATOM 785 CG2 THR X 479 7.630 -9.364 7.695 1.00 33.32 C ATOM 0 H THR X 479 7.563 -6.897 8.063 1.00 31.11 H new ATOM 0 HA THR X 479 10.373 -7.445 8.547 1.00 32.34 H new ATOM 0 HB THR X 479 8.717 -8.964 9.489 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.509 -10.939 8.503 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.244 -10.321 8.048 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.897 -8.582 7.893 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.819 -9.422 6.623 1.00 33.32 H new ATOM 793 N LEU X 480 10.993 -8.542 6.237 1.00 51.22 N ATOM 794 CA LEU X 480 11.491 -8.738 4.880 1.00 73.24 C ATOM 795 C LEU X 480 10.371 -9.194 3.950 1.00 73.11 C ATOM 796 O LEU X 480 10.310 -8.787 2.790 1.00 12.40 O ATOM 797 CB LEU X 480 12.624 -9.766 4.873 1.00 54.35 C ATOM 798 CG LEU X 480 13.021 -10.320 3.505 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.433 -9.191 2.572 1.00 10.34 C ATOM 800 CD2 LEU X 480 14.147 -11.335 3.647 1.00 24.30 C ATOM 0 H LEU X 480 11.544 -9.005 6.960 1.00 51.22 H new ATOM 0 HA LEU X 480 11.873 -7.783 4.519 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.504 -9.310 5.327 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.333 -10.601 5.510 1.00 54.35 H new ATOM 0 HG LEU X 480 12.157 -10.824 3.073 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.712 -9.604 1.603 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.599 -8.501 2.446 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.283 -8.659 2.998 1.00 10.34 H new ATOM 0 HD21 LEU X 480 14.417 -11.719 2.663 1.00 24.30 H new ATOM 0 HD22 LEU X 480 15.015 -10.855 4.100 1.00 24.30 H new ATOM 0 HD23 LEU X 480 13.817 -12.159 4.280 1.00 24.30 H new ATOM 811 N ARG X 481 9.486 -10.040 4.467 1.00 60.01 N ATOM 812 CA ARG X 481 8.367 -10.550 3.684 1.00 5.23 C ATOM 813 C ARG X 481 7.402 -9.426 3.318 1.00 63.40 C ATOM 814 O ARG X 481 7.052 -9.252 2.152 1.00 34.21 O ATOM 815 CB ARG X 481 7.627 -11.639 4.461 1.00 22.32 C ATOM 816 CG ARG X 481 6.818 -12.576 3.579 1.00 15.42 C ATOM 817 CD ARG X 481 7.716 -13.544 2.824 1.00 33.20 C ATOM 818 NE ARG X 481 8.095 -14.691 3.644 1.00 11.02 N ATOM 819 CZ ARG X 481 9.026 -15.570 3.291 1.00 23.35 C ATOM 820 NH1 ARG X 481 9.670 -15.434 2.141 1.00 64.23 N ATOM 821 NH2 ARG X 481 9.315 -16.589 4.091 1.00 54.34 N ATOM 0 H ARG X 481 9.522 -10.387 5.426 1.00 60.01 H new ATOM 0 HA ARG X 481 8.766 -10.977 2.764 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.351 -12.223 5.029 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.960 -11.168 5.183 1.00 22.32 H new ATOM 0 HG2 ARG X 481 6.112 -13.136 4.192 1.00 15.42 H new ATOM 0 HG3 ARG X 481 6.231 -11.993 2.869 1.00 15.42 H new ATOM 0 HD2 ARG X 481 7.201 -13.893 1.929 1.00 33.20 H new ATOM 0 HD3 ARG X 481 8.614 -13.022 2.493 1.00 33.20 H new ATOM 0 HE ARG X 481 7.619 -14.824 4.536 1.00 11.02 H new ATOM 0 HH11 ARG X 481 9.451 -14.652 1.523 1.00 64.23 H new ATOM 0 HH12 ARG X 481 10.384 -16.111 1.873 1.00 64.23 H new ATOM 0 HH21 ARG X 481 8.822 -16.697 4.977 1.00 54.34 H new ATOM 0 HH22 ARG X 481 10.030 -17.264 3.819 1.00 54.34 H new ATOM 832 N GLN X 482 6.977 -8.667 4.324 1.00 43.45 N ATOM 833 CA GLN X 482 6.052 -7.561 4.108 1.00 74.43 C ATOM 834 C GLN X 482 6.653 -6.526 3.163 1.00 15.22 C ATOM 835 O GLN X 482 6.048 -6.169 2.150 1.00 24.12 O ATOM 836 CB GLN X 482 5.691 -6.904 5.440 1.00 61.30 C ATOM 837 CG GLN X 482 4.790 -7.759 6.317 1.00 11.44 C ATOM 838 CD GLN X 482 3.581 -8.288 5.570 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.331 -9.493 5.545 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.823 -7.386 4.957 1.00 62.51 N ATOM 0 H GLN X 482 7.259 -8.798 5.296 1.00 43.45 H new ATOM 0 HA GLN X 482 5.147 -7.961 3.651 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.608 -6.680 5.985 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.196 -5.953 5.244 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.364 -8.597 6.713 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.456 -7.170 7.171 1.00 11.44 H new ATOM 0 HE21 GLN X 482 3.068 -6.397 5.004 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.996 -7.682 4.439 1.00 62.51 H new ATOM 847 N LEU X 483 7.845 -6.047 3.499 1.00 30.43 N ATOM 848 CA LEU X 483 8.529 -5.051 2.681 1.00 23.25 C ATOM 849 C LEU X 483 8.603 -5.501 1.225 1.00 43.34 C ATOM 850 O LEU X 483 8.199 -4.773 0.318 1.00 12.42 O ATOM 851 CB LEU X 483 9.937 -4.797 3.221 1.00 32.11 C ATOM 852 CG LEU X 483 10.662 -3.574 2.658 1.00 53.13 C ATOM 853 CD1 LEU X 483 9.954 -2.294 3.077 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.113 -3.557 3.115 1.00 65.25 C ATOM 0 H LEU X 483 8.359 -6.332 4.333 1.00 30.43 H new ATOM 0 HA LEU X 483 7.957 -4.124 2.727 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.875 -4.691 4.304 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.546 -5.679 3.021 1.00 32.11 H new ATOM 0 HG LEU X 483 10.645 -3.635 1.570 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.484 -1.434 2.667 1.00 33.51 H new ATOM 0 HD12 LEU X 483 8.931 -2.304 2.700 1.00 33.51 H new ATOM 0 HD13 LEU X 483 9.939 -2.226 4.165 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.613 -2.680 2.705 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.151 -3.521 4.204 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.616 -4.458 2.764 1.00 65.25 H new ATOM 865 N ASP X 484 9.122 -6.705 1.009 1.00 4.40 N ATOM 866 CA ASP X 484 9.246 -7.254 -0.335 1.00 74.33 C ATOM 867 C ASP X 484 7.906 -7.222 -1.062 1.00 23.13 C ATOM 868 O ASP X 484 7.829 -6.842 -2.231 1.00 2.41 O ATOM 869 CB ASP X 484 9.775 -8.688 -0.277 1.00 53.22 C ATOM 870 CG ASP X 484 10.312 -9.162 -1.614 1.00 43.05 C ATOM 871 OD1 ASP X 484 9.712 -8.813 -2.651 1.00 12.45 O ATOM 872 OD2 ASP X 484 11.332 -9.883 -1.621 1.00 13.14 O ATOM 0 H ASP X 484 9.464 -7.319 1.748 1.00 4.40 H new ATOM 0 HA ASP X 484 9.953 -6.636 -0.888 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.565 -8.751 0.471 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.975 -9.354 0.047 1.00 53.22 H new ATOM 876 N TYR X 485 6.850 -7.624 -0.363 1.00 62.24 N ATOM 877 CA TYR X 485 5.512 -7.645 -0.942 1.00 54.52 C ATOM 878 C TYR X 485 5.091 -6.249 -1.392 1.00 35.33 C ATOM 879 O TYR X 485 4.438 -6.087 -2.423 1.00 43.32 O ATOM 880 CB TYR X 485 4.504 -8.193 0.070 1.00 42.42 C ATOM 881 CG TYR X 485 3.211 -8.663 -0.557 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.144 -9.878 -1.229 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.058 -7.892 -0.481 1.00 34.51 C ATOM 884 CE1 TYR X 485 1.965 -10.312 -1.804 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.874 -8.318 -1.051 1.00 35.54 C ATOM 886 CZ TYR X 485 0.833 -9.529 -1.713 1.00 72.11 C ATOM 887 OH TYR X 485 -0.344 -9.956 -2.283 1.00 32.54 O ATOM 0 H TYR X 485 6.895 -7.940 0.606 1.00 62.24 H new ATOM 0 HA TYR X 485 5.532 -8.298 -1.815 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.959 -9.023 0.610 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.282 -7.419 0.804 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.029 -10.493 -1.303 1.00 11.33 H new ATOM 0 HD2 TYR X 485 2.088 -6.943 0.033 1.00 34.51 H new ATOM 0 HE1 TYR X 485 1.930 -11.259 -2.322 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.014 -7.708 -0.979 1.00 35.54 H new ATOM 0 HH TYR X 485 -1.044 -9.288 -2.127 1.00 32.54 H new ATOM 896 N ARG X 486 5.471 -5.243 -0.610 1.00 30.20 N ATOM 897 CA ARG X 486 5.134 -3.861 -0.926 1.00 23.23 C ATOM 898 C ARG X 486 5.973 -3.349 -2.093 1.00 23.24 C ATOM 899 O ARG X 486 5.472 -2.642 -2.967 1.00 73.10 O ATOM 900 CB ARG X 486 5.346 -2.969 0.298 1.00 32.34 C ATOM 901 CG ARG X 486 4.725 -3.522 1.570 1.00 43.42 C ATOM 902 CD ARG X 486 3.360 -2.906 1.837 1.00 11.40 C ATOM 903 NE ARG X 486 2.431 -3.135 0.734 1.00 15.11 N ATOM 904 CZ ARG X 486 1.306 -2.451 0.567 1.00 21.53 C ATOM 905 NH1 ARG X 486 0.971 -1.498 1.428 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.511 -2.717 -0.462 1.00 1.14 N ATOM 0 H ARG X 486 6.012 -5.360 0.247 1.00 30.20 H new ATOM 0 HA ARG X 486 4.083 -3.827 -1.214 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.416 -2.832 0.456 1.00 32.34 H new ATOM 0 HB3 ARG X 486 4.925 -1.984 0.097 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.627 -4.604 1.488 1.00 43.42 H new ATOM 0 HG3 ARG X 486 5.386 -3.325 2.414 1.00 43.42 H new ATOM 0 HD2 ARG X 486 2.946 -3.326 2.753 1.00 11.40 H new ATOM 0 HD3 ARG X 486 3.472 -1.834 2.000 1.00 11.40 H new ATOM 0 HE ARG X 486 2.659 -3.861 0.054 1.00 15.11 H new ATOM 0 HH11 ARG X 486 1.579 -1.290 2.220 1.00 34.32 H new ATOM 0 HH12 ARG X 486 0.106 -0.974 1.297 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.764 -3.448 -1.126 1.00 1.14 H new ATOM 0 HH22 ARG X 486 -0.353 -2.190 -0.588 1.00 1.14 H new ATOM 917 N ILE X 487 7.251 -3.712 -2.100 1.00 12.05 N ATOM 918 CA ILE X 487 8.159 -3.290 -3.159 1.00 10.12 C ATOM 919 C ILE X 487 7.682 -3.784 -4.521 1.00 62.30 C ATOM 920 O ILE X 487 7.732 -3.055 -5.511 1.00 15.43 O ATOM 921 CB ILE X 487 9.590 -3.803 -2.911 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.171 -3.167 -1.647 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.474 -3.506 -4.114 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.170 -1.655 -1.675 1.00 35.13 C ATOM 0 H ILE X 487 7.681 -4.298 -1.384 1.00 12.05 H new ATOM 0 HA ILE X 487 8.167 -2.200 -3.153 1.00 10.12 H new ATOM 0 HB ILE X 487 9.554 -4.883 -2.768 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.599 -3.506 -0.784 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.194 -3.519 -1.510 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.482 -3.874 -3.924 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.067 -4.001 -4.996 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.507 -2.430 -4.285 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.596 -1.274 -0.747 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.766 -1.306 -2.518 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.147 -1.294 -1.780 1.00 35.13 H new ATOM 935 N LYS X 488 7.219 -5.029 -4.563 1.00 1.41 N ATOM 936 CA LYS X 488 6.730 -5.623 -5.802 1.00 43.53 C ATOM 937 C LYS X 488 5.370 -5.047 -6.180 1.00 53.44 C ATOM 938 O LYS X 488 5.080 -4.834 -7.358 1.00 72.22 O ATOM 939 CB LYS X 488 6.630 -7.143 -5.658 1.00 2.51 C ATOM 940 CG LYS X 488 5.684 -7.589 -4.558 1.00 3.34 C ATOM 941 CD LYS X 488 5.603 -9.104 -4.472 1.00 3.43 C ATOM 942 CE LYS X 488 4.996 -9.703 -5.732 1.00 41.43 C ATOM 943 NZ LYS X 488 6.042 -10.139 -6.698 1.00 22.33 N ATOM 0 H LYS X 488 7.172 -5.647 -3.753 1.00 1.41 H new ATOM 0 HA LYS X 488 7.439 -5.386 -6.595 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.298 -7.568 -6.605 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.623 -7.547 -5.458 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.021 -7.187 -3.602 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.691 -7.181 -4.744 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.601 -9.514 -4.317 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.003 -9.389 -3.607 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.371 -10.555 -5.464 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.346 -8.968 -6.207 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 5.766 -9.855 -7.660 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 6.949 -9.694 -6.452 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 6.142 -11.173 -6.658 1.00 22.33 H new ATOM 953 N LYS X 489 4.538 -4.795 -5.175 1.00 24.34 N ATOM 954 CA LYS X 489 3.209 -4.241 -5.402 1.00 21.32 C ATOM 955 C LYS X 489 3.297 -2.804 -5.907 1.00 63.33 C ATOM 956 O LYS X 489 2.588 -2.418 -6.836 1.00 53.33 O ATOM 957 CB LYS X 489 2.387 -4.289 -4.112 1.00 54.52 C ATOM 958 CG LYS X 489 1.282 -5.332 -4.133 1.00 54.51 C ATOM 959 CD LYS X 489 1.847 -6.741 -4.192 1.00 14.12 C ATOM 960 CE LYS X 489 1.588 -7.389 -5.544 1.00 62.31 C ATOM 961 NZ LYS X 489 0.133 -7.542 -5.816 1.00 3.10 N ATOM 0 H LYS X 489 4.761 -4.966 -4.195 1.00 24.34 H new ATOM 0 HA LYS X 489 2.716 -4.846 -6.163 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.053 -4.494 -3.274 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.946 -3.308 -3.935 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.662 -5.225 -3.243 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.636 -5.162 -4.994 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.920 -6.712 -4.001 1.00 14.12 H new ATOM 0 HD3 LYS X 489 1.399 -7.347 -3.405 1.00 14.12 H new ATOM 0 HE2 LYS X 489 2.043 -6.785 -6.329 1.00 62.31 H new ATOM 0 HE3 LYS X 489 2.068 -8.367 -5.576 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.019 -8.355 -6.447 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.373 -7.699 -4.921 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 -0.228 -6.679 -6.271 1.00 3.10 H new ATOM 971 N TYR X 490 4.173 -2.018 -5.291 1.00 63.10 N ATOM 972 CA TYR X 490 4.353 -0.624 -5.678 1.00 65.13 C ATOM 973 C TYR X 490 5.436 -0.491 -6.745 1.00 43.30 C ATOM 974 O TYR X 490 5.711 0.605 -7.233 1.00 45.35 O ATOM 975 CB TYR X 490 4.716 0.223 -4.458 1.00 31.24 C ATOM 976 CG TYR X 490 3.609 0.313 -3.432 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.406 0.937 -3.733 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.768 -0.225 -2.160 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.391 1.023 -2.799 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.759 -0.145 -1.220 1.00 30.22 C ATOM 981 CZ TYR X 490 1.573 0.479 -1.544 1.00 51.31 C ATOM 982 OH TYR X 490 0.565 0.562 -0.610 1.00 54.23 O ATOM 0 H TYR X 490 4.769 -2.323 -4.522 1.00 63.10 H new ATOM 0 HA TYR X 490 3.412 -0.264 -6.094 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.604 -0.197 -3.986 1.00 31.24 H new ATOM 0 HB3 TYR X 490 4.976 1.229 -4.789 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.261 1.363 -4.715 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.696 -0.714 -1.902 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.462 1.513 -3.050 1.00 71.23 H new ATOM 0 HE2 TYR X 490 2.898 -0.569 -0.237 1.00 30.22 H new ATOM 0 HH TYR X 490 -0.018 -0.222 -0.687 1.00 54.23 H new ATOM 991 N GLY X 491 6.046 -1.616 -7.103 1.00 12.33 N ATOM 992 CA GLY X 491 7.092 -1.605 -8.110 1.00 73.13 C ATOM 993 C GLY X 491 8.173 -0.586 -7.811 1.00 70.25 C ATOM 994 O GLY X 491 8.614 0.141 -8.702 1.00 25.21 O ATOM 0 H GLY X 491 5.835 -2.535 -6.714 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.540 -2.597 -8.175 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.652 -1.389 -9.084 1.00 73.13 H new ATOM 998 N ILE X 492 8.602 -0.531 -6.554 1.00 33.34 N ATOM 999 CA ILE X 492 9.638 0.407 -6.140 1.00 12.35 C ATOM 1000 C ILE X 492 11.017 -0.064 -6.590 1.00 73.33 C ATOM 1001 O ILE X 492 11.248 -1.260 -6.764 1.00 45.43 O ATOM 1002 CB ILE X 492 9.647 0.598 -4.612 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.221 0.792 -4.093 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.520 1.785 -4.232 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.139 0.935 -2.589 1.00 21.21 C ATOM 0 H ILE X 492 8.248 -1.125 -5.805 1.00 33.34 H new ATOM 0 HA ILE X 492 9.409 1.361 -6.616 1.00 12.35 H new ATOM 0 HB ILE X 492 10.064 -0.297 -4.151 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.791 1.679 -4.558 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.612 -0.057 -4.403 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.516 1.907 -3.149 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.540 1.611 -4.574 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.130 2.688 -4.700 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.099 1.069 -2.292 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.538 0.038 -2.116 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.721 1.801 -2.274 1.00 21.21 H new ATOM 1016 N GLU X 493 11.929 0.885 -6.773 1.00 41.10 N ATOM 1017 CA GLU X 493 13.286 0.566 -7.202 1.00 52.04 C ATOM 1018 C GLU X 493 14.247 0.571 -6.016 1.00 43.33 C ATOM 1019 O GLU X 493 13.938 1.114 -4.954 1.00 63.45 O ATOM 1020 CB GLU X 493 13.759 1.566 -8.259 1.00 63.11 C ATOM 1021 CG GLU X 493 12.858 1.633 -9.480 1.00 11.52 C ATOM 1022 CD GLU X 493 12.989 2.944 -10.231 1.00 74.15 C ATOM 1023 OE1 GLU X 493 12.891 4.010 -9.588 1.00 70.23 O ATOM 1024 OE2 GLU X 493 13.192 2.903 -11.463 1.00 62.13 O ATOM 0 H GLU X 493 11.754 1.880 -6.631 1.00 41.10 H new ATOM 0 HA GLU X 493 13.277 -0.434 -7.636 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.820 2.557 -7.808 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.767 1.297 -8.576 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.100 0.809 -10.151 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.822 1.498 -9.170 1.00 11.52 H new ATOM 1029 N LEU X 494 15.412 -0.037 -6.204 1.00 43.24 N ATOM 1030 CA LEU X 494 16.419 -0.105 -5.150 1.00 63.34 C ATOM 1031 C LEU X 494 17.715 -0.717 -5.673 1.00 40.01 C ATOM 1032 O LEU X 494 17.696 -1.715 -6.394 1.00 44.25 O ATOM 1033 CB LEU X 494 15.896 -0.924 -3.968 1.00 33.12 C ATOM 1034 CG LEU X 494 15.992 -2.443 -4.110 1.00 10.03 C ATOM 1035 CD1 LEU X 494 15.583 -3.126 -2.814 1.00 24.23 C ATOM 1036 CD2 LEU X 494 15.130 -2.928 -5.266 1.00 15.11 C ATOM 0 H LEU X 494 15.684 -0.490 -7.076 1.00 43.24 H new ATOM 0 HA LEU X 494 16.627 0.911 -4.816 1.00 63.34 H new ATOM 0 HB2 LEU X 494 16.445 -0.627 -3.075 1.00 33.12 H new ATOM 0 HB3 LEU X 494 14.852 -0.660 -3.802 1.00 33.12 H new ATOM 0 HG LEU X 494 17.029 -2.704 -4.324 1.00 10.03 H new ATOM 0 HD11 LEU X 494 15.657 -4.207 -2.933 1.00 24.23 H new ATOM 0 HD12 LEU X 494 16.243 -2.803 -2.009 1.00 24.23 H new ATOM 0 HD13 LEU X 494 14.555 -2.858 -2.570 1.00 24.23 H new ATOM 0 HD21 LEU X 494 15.212 -4.012 -5.351 1.00 15.11 H new ATOM 0 HD22 LEU X 494 14.090 -2.656 -5.084 1.00 15.11 H new ATOM 0 HD23 LEU X 494 15.470 -2.465 -6.192 1.00 15.11 H new ATOM 1047 N LYS X 495 18.840 -0.114 -5.303 1.00 43.22 N ATOM 1048 CA LYS X 495 20.146 -0.601 -5.730 1.00 54.55 C ATOM 1049 C LYS X 495 20.884 -1.267 -4.573 1.00 21.15 C ATOM 1050 O LYS X 495 21.341 -0.596 -3.648 1.00 32.02 O ATOM 1051 CB LYS X 495 20.984 0.551 -6.289 1.00 21.55 C ATOM 1052 CG LYS X 495 20.765 0.800 -7.771 1.00 34.12 C ATOM 1053 CD LYS X 495 21.529 -0.200 -8.623 1.00 41.32 C ATOM 1054 CE LYS X 495 21.200 -0.041 -10.099 1.00 2.20 C ATOM 1055 NZ LYS X 495 21.781 -1.141 -10.919 1.00 52.14 N ATOM 0 H LYS X 495 18.873 0.714 -4.708 1.00 43.22 H new ATOM 0 HA LYS X 495 19.991 -1.343 -6.513 1.00 54.55 H new ATOM 0 HB2 LYS X 495 20.748 1.461 -5.738 1.00 21.55 H new ATOM 0 HB3 LYS X 495 22.039 0.338 -6.117 1.00 21.55 H new ATOM 0 HG2 LYS X 495 19.701 0.735 -7.998 1.00 34.12 H new ATOM 0 HG3 LYS X 495 21.084 1.812 -8.022 1.00 34.12 H new ATOM 0 HD2 LYS X 495 22.600 -0.065 -8.471 1.00 41.32 H new ATOM 0 HD3 LYS X 495 21.286 -1.213 -8.302 1.00 41.32 H new ATOM 0 HE2 LYS X 495 20.118 -0.023 -10.230 1.00 2.20 H new ATOM 0 HE3 LYS X 495 21.580 0.917 -10.455 1.00 2.20 H new ATOM 0 HZ1 LYS X 495 21.534 -0.996 -11.919 1.00 52.14 H new ATOM 0 HZ2 LYS X 495 22.816 -1.143 -10.814 1.00 52.14 H new ATOM 0 HZ3 LYS X 495 21.399 -2.053 -10.597 1.00 52.14 H new ATOM 1065 N LYS X 496 20.997 -2.589 -4.633 1.00 11.13 N ATOM 1066 CA LYS X 496 21.683 -3.347 -3.592 1.00 1.23 C ATOM 1067 C LYS X 496 22.315 -4.610 -4.166 1.00 15.31 C ATOM 1068 O LYS X 496 21.668 -5.365 -4.893 1.00 74.41 O ATOM 1069 CB LYS X 496 20.706 -3.715 -2.474 1.00 74.42 C ATOM 1070 CG LYS X 496 21.353 -4.467 -1.324 1.00 55.24 C ATOM 1071 CD LYS X 496 21.845 -3.519 -0.244 1.00 53.12 C ATOM 1072 CE LYS X 496 23.310 -3.162 -0.441 1.00 61.32 C ATOM 1073 NZ LYS X 496 24.212 -4.108 0.272 1.00 24.42 N ATOM 0 H LYS X 496 20.622 -3.159 -5.392 1.00 11.13 H new ATOM 0 HA LYS X 496 22.475 -2.720 -3.182 1.00 1.23 H new ATOM 0 HB2 LYS X 496 20.248 -2.804 -2.089 1.00 74.42 H new ATOM 0 HB3 LYS X 496 19.904 -4.324 -2.890 1.00 74.42 H new ATOM 0 HG2 LYS X 496 20.635 -5.166 -0.896 1.00 55.24 H new ATOM 0 HG3 LYS X 496 22.189 -5.058 -1.699 1.00 55.24 H new ATOM 0 HD2 LYS X 496 21.243 -2.610 -0.255 1.00 53.12 H new ATOM 0 HD3 LYS X 496 21.710 -3.979 0.735 1.00 53.12 H new ATOM 0 HE2 LYS X 496 23.545 -3.168 -1.505 1.00 61.32 H new ATOM 0 HE3 LYS X 496 23.489 -2.149 -0.081 1.00 61.32 H new ATOM 0 HZ1 LYS X 496 25.202 -3.831 0.113 1.00 24.42 H new ATOM 0 HZ2 LYS X 496 24.005 -4.084 1.291 1.00 24.42 H new ATOM 0 HZ3 LYS X 496 24.060 -5.071 -0.089 1.00 24.42 H new ATOM 1083 N PHE X 497 23.582 -4.836 -3.834 1.00 40.43 N ATOM 1084 CA PHE X 497 24.302 -6.009 -4.317 1.00 75.40 C ATOM 1085 C PHE X 497 23.829 -7.270 -3.598 1.00 35.52 C ATOM 1086 O PHE X 497 23.952 -8.377 -4.121 1.00 20.55 O ATOM 1087 CB PHE X 497 25.807 -5.829 -4.116 1.00 73.03 C ATOM 1088 CG PHE X 497 26.326 -4.514 -4.624 1.00 45.00 C ATOM 1089 CD1 PHE X 497 25.998 -4.070 -5.895 1.00 13.40 C ATOM 1090 CD2 PHE X 497 27.141 -3.722 -3.831 1.00 50.40 C ATOM 1091 CE1 PHE X 497 26.476 -2.861 -6.366 1.00 11.54 C ATOM 1092 CE2 PHE X 497 27.619 -2.512 -4.296 1.00 41.24 C ATOM 1093 CZ PHE X 497 27.286 -2.081 -5.565 1.00 51.22 C ATOM 0 H PHE X 497 24.131 -4.222 -3.232 1.00 40.43 H new ATOM 0 HA PHE X 497 24.096 -6.118 -5.382 1.00 75.40 H new ATOM 0 HB2 PHE X 497 26.037 -5.915 -3.054 1.00 73.03 H new ATOM 0 HB3 PHE X 497 26.333 -6.638 -4.623 1.00 73.03 H new ATOM 0 HD1 PHE X 497 25.362 -4.675 -6.525 1.00 13.40 H new ATOM 0 HD2 PHE X 497 27.406 -4.054 -2.838 1.00 50.40 H new ATOM 0 HE1 PHE X 497 26.216 -2.527 -7.360 1.00 11.54 H new ATOM 0 HE2 PHE X 497 28.253 -1.904 -3.668 1.00 41.24 H new ATOM 0 HZ PHE X 497 27.659 -1.135 -5.930 1.00 51.22 H new TER 1102 PHE X 497