USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 496 LYS NZ :NH3+ 157:sc= 0.735 (180deg=0) USER MOD Set 1.2: A 499 GLN : amide:sc= 0.53 K(o=2,f=-5.8) USER MOD Set 1.3: A 503 LYS NZ :NH3+ -158:sc= 0.723 (180deg=-0.00154) USER MOD Single : A 462 SER OG : rot 22:sc= 0.242 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ -166:sc= -0.0176 (180deg=-0.231) USER MOD Single : A 470 SER OG : rot 83:sc= 1.21 USER MOD Single : A 471 SER OG : rot 160:sc= 0.0135 USER MOD Single : A 478 LYS NZ :NH3+ 180:sc= 1.55 (180deg=1.55) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 164:sc= -0.157 (180deg=-0.608) USER MOD Single : A 483 THR OG1 : rot 86:sc= 1.31 USER MOD Single : A 489 LYS NZ :NH3+ -143:sc= 0.638 (180deg=-0.0907) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 498 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-2.3!) USER MOD Single : A 500 MET CE :methyl 161:sc= -0.173 (180deg=-0.662) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -5.879 -0.638 8.577 1.00 1.77 N ATOM 2 CA SER A 462 -4.662 -0.213 9.245 1.00 1.60 C ATOM 3 C SER A 462 -3.445 -1.050 8.840 1.00 1.25 C ATOM 4 O SER A 462 -2.325 -0.549 8.854 1.00 1.09 O ATOM 5 CB SER A 462 -4.870 -0.277 10.752 1.00 1.97 C ATOM 6 OG SER A 462 -6.083 0.367 11.115 1.00 2.70 O ATOM 0 HA SER A 462 -4.453 0.811 8.937 1.00 1.60 H new ATOM 0 HB2 SER A 462 -4.892 -1.317 11.078 1.00 1.97 H new ATOM 0 HB3 SER A 462 -4.032 0.199 11.261 1.00 1.97 H new ATOM 0 HG SER A 462 -6.682 0.397 10.340 1.00 2.70 H new ATOM 14 N VAL A 463 -3.664 -2.312 8.472 1.00 1.25 N ATOM 15 CA VAL A 463 -2.559 -3.189 8.080 1.00 1.07 C ATOM 16 C VAL A 463 -1.803 -2.596 6.894 1.00 0.89 C ATOM 17 O VAL A 463 -0.635 -2.211 7.014 1.00 0.76 O ATOM 18 CB VAL A 463 -3.038 -4.615 7.718 1.00 1.28 C ATOM 19 CG1 VAL A 463 -1.858 -5.515 7.363 1.00 1.28 C ATOM 20 CG2 VAL A 463 -3.843 -5.213 8.862 1.00 1.50 C ATOM 0 H VAL A 463 -4.586 -2.747 8.437 1.00 1.25 H new ATOM 0 HA VAL A 463 -1.898 -3.265 8.943 1.00 1.07 H new ATOM 0 HB VAL A 463 -3.682 -4.544 6.842 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.223 -6.511 7.113 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.326 -5.098 6.508 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.181 -5.580 8.215 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.172 -6.216 8.590 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.222 -5.265 9.756 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -4.713 -4.587 9.061 1.00 1.50 H new ATOM 30 N ILE A 464 -2.472 -2.499 5.753 1.00 1.02 N ATOM 31 CA ILE A 464 -1.843 -1.944 4.566 1.00 1.02 C ATOM 32 C ILE A 464 -1.510 -0.468 4.767 1.00 0.88 C ATOM 33 O ILE A 464 -0.416 -0.027 4.421 1.00 0.84 O ATOM 34 CB ILE A 464 -2.713 -2.127 3.296 1.00 1.35 C ATOM 35 CG1 ILE A 464 -2.074 -1.391 2.110 1.00 1.81 C ATOM 36 CG2 ILE A 464 -4.139 -1.649 3.531 1.00 1.96 C ATOM 37 CD1 ILE A 464 -2.847 -1.512 0.814 1.00 2.72 C ATOM 0 H ILE A 464 -3.440 -2.794 5.626 1.00 1.02 H new ATOM 0 HA ILE A 464 -0.919 -2.501 4.412 1.00 1.02 H new ATOM 0 HB ILE A 464 -2.760 -3.190 3.061 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -1.974 -0.335 2.363 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -1.067 -1.778 1.957 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -4.724 -1.790 2.622 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -4.586 -2.222 4.343 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -4.129 -0.592 3.796 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -2.328 -0.964 0.028 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -2.925 -2.562 0.533 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -3.846 -1.097 0.946 1.00 2.72 H new ATOM 49 N ARG A 465 -2.434 0.270 5.376 1.00 0.94 N ATOM 50 CA ARG A 465 -2.294 1.714 5.531 1.00 0.95 C ATOM 51 C ARG A 465 -1.041 2.064 6.327 1.00 0.83 C ATOM 52 O ARG A 465 -0.239 2.895 5.905 1.00 0.90 O ATOM 53 CB ARG A 465 -3.530 2.290 6.223 1.00 1.18 C ATOM 54 CG ARG A 465 -3.770 3.762 5.930 1.00 1.57 C ATOM 55 CD ARG A 465 -4.999 4.274 6.662 1.00 1.81 C ATOM 56 NE ARG A 465 -5.445 5.577 6.168 1.00 2.13 N ATOM 57 CZ ARG A 465 -5.441 6.692 6.897 1.00 2.61 C ATOM 58 NH1 ARG A 465 -4.909 6.699 8.115 1.00 2.88 N ATOM 59 NH2 ARG A 465 -5.947 7.812 6.398 1.00 3.37 N ATOM 0 H ARG A 465 -3.293 -0.112 5.772 1.00 0.94 H new ATOM 0 HA ARG A 465 -2.199 2.153 4.538 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -4.406 1.720 5.913 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.427 2.156 7.300 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -2.897 4.342 6.229 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -3.896 3.906 4.857 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -5.809 3.552 6.554 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.778 4.349 7.727 1.00 1.81 H new ATOM 0 HE ARG A 465 -5.780 5.635 5.206 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -4.500 5.847 8.498 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -4.910 7.557 8.667 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -6.339 7.819 5.456 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -5.944 8.666 6.956 1.00 3.37 H new ATOM 73 N SER A 466 -0.869 1.410 7.466 1.00 0.80 N ATOM 74 CA SER A 466 0.257 1.692 8.336 1.00 0.87 C ATOM 75 C SER A 466 1.553 1.146 7.743 1.00 0.85 C ATOM 76 O SER A 466 2.558 1.854 7.691 1.00 1.03 O ATOM 77 CB SER A 466 0.016 1.105 9.732 1.00 0.96 C ATOM 78 OG SER A 466 1.096 1.382 10.610 1.00 1.63 O ATOM 0 H SER A 466 -1.496 0.681 7.807 1.00 0.80 H new ATOM 0 HA SER A 466 0.354 2.774 8.426 1.00 0.87 H new ATOM 0 HB2 SER A 466 -0.905 1.516 10.146 1.00 0.96 H new ATOM 0 HB3 SER A 466 -0.123 0.027 9.655 1.00 0.96 H new ATOM 0 HG SER A 466 0.909 0.995 11.491 1.00 1.63 H new ATOM 84 N ILE A 467 1.525 -0.098 7.268 1.00 0.78 N ATOM 85 CA ILE A 467 2.736 -0.741 6.778 1.00 0.91 C ATOM 86 C ILE A 467 3.308 -0.024 5.553 1.00 0.96 C ATOM 87 O ILE A 467 4.513 0.256 5.503 1.00 1.18 O ATOM 88 CB ILE A 467 2.509 -2.241 6.478 1.00 1.02 C ATOM 89 CG1 ILE A 467 2.226 -2.992 7.786 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.716 -2.842 5.763 1.00 1.24 C ATOM 91 CD1 ILE A 467 1.951 -4.470 7.605 1.00 1.59 C ATOM 0 H ILE A 467 0.685 -0.673 7.213 1.00 0.78 H new ATOM 0 HA ILE A 467 3.472 -0.668 7.579 1.00 0.91 H new ATOM 0 HB ILE A 467 1.648 -2.340 5.817 1.00 1.02 H new ATOM 0 HG12 ILE A 467 3.079 -2.872 8.453 1.00 1.14 H new ATOM 0 HG13 ILE A 467 1.369 -2.532 8.278 1.00 1.14 H new ATOM 0 HG21 ILE A 467 3.532 -3.898 5.563 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.880 -2.317 4.822 1.00 1.24 H new ATOM 0 HG23 ILE A 467 4.600 -2.741 6.393 1.00 1.24 H new ATOM 0 HD11 ILE A 467 1.761 -4.926 8.576 1.00 1.59 H new ATOM 0 HD12 ILE A 467 1.079 -4.602 6.965 1.00 1.59 H new ATOM 0 HD13 ILE A 467 2.815 -4.947 7.143 1.00 1.59 H new ATOM 103 N ILE A 468 2.470 0.316 4.575 1.00 0.87 N ATOM 104 CA ILE A 468 2.995 0.978 3.388 1.00 0.99 C ATOM 105 C ILE A 468 3.519 2.347 3.751 1.00 1.08 C ATOM 106 O ILE A 468 4.613 2.713 3.345 1.00 1.27 O ATOM 107 CB ILE A 468 2.002 1.047 2.190 1.00 1.02 C ATOM 108 CG1 ILE A 468 0.826 2.008 2.439 1.00 0.80 C ATOM 109 CG2 ILE A 468 1.488 -0.347 1.867 1.00 1.34 C ATOM 110 CD1 ILE A 468 -0.184 2.035 1.312 1.00 1.65 C ATOM 0 H ILE A 468 1.463 0.151 4.579 1.00 0.87 H new ATOM 0 HA ILE A 468 3.813 0.354 3.029 1.00 0.99 H new ATOM 0 HB ILE A 468 2.553 1.446 1.338 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.321 1.720 3.361 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.216 3.015 2.590 1.00 0.80 H new ATOM 0 HG21 ILE A 468 0.794 -0.294 1.028 1.00 1.34 H new ATOM 0 HG22 ILE A 468 2.326 -0.992 1.604 1.00 1.34 H new ATOM 0 HG23 ILE A 468 0.975 -0.756 2.737 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -0.984 2.734 1.557 1.00 1.65 H new ATOM 0 HD12 ILE A 468 0.306 2.353 0.392 1.00 1.65 H new ATOM 0 HD13 ILE A 468 -0.603 1.038 1.175 1.00 1.65 H new ATOM 122 N LYS A 469 2.788 3.061 4.590 1.00 1.04 N ATOM 123 CA LYS A 469 3.244 4.350 5.074 1.00 1.27 C ATOM 124 C LYS A 469 4.577 4.215 5.817 1.00 1.47 C ATOM 125 O LYS A 469 5.412 5.121 5.789 1.00 1.68 O ATOM 126 CB LYS A 469 2.199 4.967 5.997 1.00 1.35 C ATOM 127 CG LYS A 469 2.698 6.226 6.661 1.00 1.75 C ATOM 128 CD LYS A 469 1.671 6.827 7.605 1.00 1.96 C ATOM 129 CE LYS A 469 2.231 8.042 8.332 1.00 2.66 C ATOM 130 NZ LYS A 469 3.348 7.683 9.246 1.00 2.97 N ATOM 0 H LYS A 469 1.879 2.770 4.949 1.00 1.04 H new ATOM 0 HA LYS A 469 3.392 5.001 4.213 1.00 1.27 H new ATOM 0 HB2 LYS A 469 1.299 5.192 5.425 1.00 1.35 H new ATOM 0 HB3 LYS A 469 1.918 4.242 6.761 1.00 1.35 H new ATOM 0 HG2 LYS A 469 3.611 6.005 7.214 1.00 1.75 H new ATOM 0 HG3 LYS A 469 2.958 6.958 5.897 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.782 7.115 7.043 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.360 6.077 8.332 1.00 1.96 H new ATOM 0 HE2 LYS A 469 2.581 8.771 7.601 1.00 2.66 H new ATOM 0 HE3 LYS A 469 1.435 8.520 8.903 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 3.540 8.478 9.888 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 3.085 6.845 9.802 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 4.200 7.475 8.688 1.00 2.97 H new ATOM 144 N SER A 470 4.771 3.079 6.476 1.00 1.46 N ATOM 145 CA SER A 470 5.991 2.829 7.233 1.00 1.71 C ATOM 146 C SER A 470 7.140 2.411 6.315 1.00 1.82 C ATOM 147 O SER A 470 8.306 2.480 6.710 1.00 2.10 O ATOM 148 CB SER A 470 5.744 1.754 8.291 1.00 1.74 C ATOM 149 OG SER A 470 4.711 2.147 9.179 1.00 2.10 O ATOM 0 H SER A 470 4.097 2.314 6.501 1.00 1.46 H new ATOM 0 HA SER A 470 6.276 3.758 7.726 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.475 0.816 7.806 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.661 1.572 8.851 1.00 1.74 H new ATOM 0 HG SER A 470 3.840 1.944 8.778 1.00 2.10 H new ATOM 155 N SER A 471 6.806 1.968 5.102 1.00 1.68 N ATOM 156 CA SER A 471 7.817 1.596 4.112 1.00 1.90 C ATOM 157 C SER A 471 8.782 2.756 3.867 1.00 1.57 C ATOM 158 O SER A 471 8.400 3.796 3.329 1.00 1.83 O ATOM 159 CB SER A 471 7.139 1.177 2.799 1.00 2.65 C ATOM 160 OG SER A 471 8.084 0.774 1.822 1.00 3.40 O ATOM 0 H SER A 471 5.844 1.858 4.782 1.00 1.68 H new ATOM 0 HA SER A 471 8.388 0.752 4.498 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.446 0.358 2.993 1.00 2.65 H new ATOM 0 HB3 SER A 471 6.550 2.009 2.413 1.00 2.65 H new ATOM 0 HG SER A 471 7.639 0.226 1.142 1.00 3.40 H new ATOM 166 N ARG A 472 10.031 2.585 4.282 1.00 1.77 N ATOM 167 CA ARG A 472 11.030 3.633 4.124 1.00 1.99 C ATOM 168 C ARG A 472 11.627 3.610 2.722 1.00 1.90 C ATOM 169 O ARG A 472 12.136 4.622 2.239 1.00 2.38 O ATOM 170 CB ARG A 472 12.147 3.489 5.165 1.00 2.75 C ATOM 171 CG ARG A 472 13.057 2.291 4.936 1.00 3.26 C ATOM 172 CD ARG A 472 14.228 2.293 5.904 1.00 3.92 C ATOM 173 NE ARG A 472 15.196 1.242 5.595 1.00 4.22 N ATOM 174 CZ ARG A 472 16.345 1.070 6.244 1.00 4.90 C ATOM 175 NH1 ARG A 472 16.656 1.853 7.270 1.00 5.31 N ATOM 176 NH2 ARG A 472 17.182 0.112 5.863 1.00 5.50 N ATOM 0 H ARG A 472 10.375 1.735 4.728 1.00 1.77 H new ATOM 0 HA ARG A 472 10.529 4.589 4.277 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.751 4.396 5.163 1.00 2.75 H new ATOM 0 HB3 ARG A 472 11.698 3.407 6.155 1.00 2.75 H new ATOM 0 HG2 ARG A 472 12.486 1.370 5.055 1.00 3.26 H new ATOM 0 HG3 ARG A 472 13.429 2.305 3.912 1.00 3.26 H new ATOM 0 HD2 ARG A 472 14.724 3.263 5.871 1.00 3.92 H new ATOM 0 HD3 ARG A 472 13.858 2.158 6.920 1.00 3.92 H new ATOM 0 HE ARG A 472 14.977 0.600 4.834 1.00 4.22 H new ATOM 0 HH11 ARG A 472 16.013 2.589 7.563 1.00 5.31 H new ATOM 0 HH12 ARG A 472 17.537 1.719 7.765 1.00 5.31 H new ATOM 0 HH21 ARG A 472 16.944 -0.490 5.075 1.00 5.50 H new ATOM 0 HH22 ARG A 472 18.063 -0.022 6.359 1.00 5.50 H new ATOM 190 N LEU A 473 11.561 2.454 2.074 1.00 1.57 N ATOM 191 CA LEU A 473 12.129 2.293 0.744 1.00 1.68 C ATOM 192 C LEU A 473 11.226 2.920 -0.309 1.00 1.46 C ATOM 193 O LEU A 473 11.669 3.720 -1.133 1.00 2.00 O ATOM 194 CB LEU A 473 12.358 0.809 0.412 1.00 2.11 C ATOM 195 CG LEU A 473 11.114 -0.092 0.467 1.00 1.80 C ATOM 196 CD1 LEU A 473 11.289 -1.285 -0.461 1.00 2.32 C ATOM 197 CD2 LEU A 473 10.865 -0.578 1.890 1.00 2.17 C ATOM 0 H LEU A 473 11.119 1.614 2.449 1.00 1.57 H new ATOM 0 HA LEU A 473 13.092 2.804 0.737 1.00 1.68 H new ATOM 0 HB2 LEU A 473 12.787 0.743 -0.588 1.00 2.11 H new ATOM 0 HB3 LEU A 473 13.101 0.412 1.104 1.00 2.11 H new ATOM 0 HG LEU A 473 10.253 0.492 0.141 1.00 1.80 H new ATOM 0 HD11 LEU A 473 10.402 -1.916 -0.414 1.00 2.32 H new ATOM 0 HD12 LEU A 473 11.430 -0.933 -1.483 1.00 2.32 H new ATOM 0 HD13 LEU A 473 12.161 -1.861 -0.152 1.00 2.32 H new ATOM 0 HD21 LEU A 473 9.980 -1.214 1.908 1.00 2.17 H new ATOM 0 HD22 LEU A 473 11.728 -1.147 2.236 1.00 2.17 H new ATOM 0 HD23 LEU A 473 10.709 0.279 2.545 1.00 2.17 H new ATOM 209 N GLU A 474 9.951 2.570 -0.257 1.00 1.28 N ATOM 210 CA GLU A 474 9.000 2.999 -1.265 1.00 1.36 C ATOM 211 C GLU A 474 8.398 4.343 -0.896 1.00 1.06 C ATOM 212 O GLU A 474 7.259 4.406 -0.462 1.00 1.14 O ATOM 213 CB GLU A 474 7.890 1.953 -1.411 1.00 1.92 C ATOM 214 CG GLU A 474 8.384 0.602 -1.891 1.00 2.48 C ATOM 215 CD GLU A 474 9.032 0.673 -3.259 1.00 3.00 C ATOM 216 OE1 GLU A 474 10.211 1.075 -3.347 1.00 3.47 O ATOM 217 OE2 GLU A 474 8.364 0.331 -4.252 1.00 3.36 O ATOM 0 H GLU A 474 9.551 1.987 0.478 1.00 1.28 H new ATOM 0 HA GLU A 474 9.525 3.104 -2.215 1.00 1.36 H new ATOM 0 HB2 GLU A 474 7.393 1.827 -0.449 1.00 1.92 H new ATOM 0 HB3 GLU A 474 7.142 2.326 -2.110 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.102 0.205 -1.173 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.548 -0.096 -1.925 1.00 2.48 H new ATOM 224 N GLU A 475 9.168 5.410 -1.066 1.00 0.94 N ATOM 225 CA GLU A 475 8.700 6.750 -0.729 1.00 0.84 C ATOM 226 C GLU A 475 7.458 7.118 -1.540 1.00 0.73 C ATOM 227 O GLU A 475 6.342 7.147 -1.017 1.00 0.73 O ATOM 228 CB GLU A 475 9.800 7.783 -0.970 1.00 1.20 C ATOM 229 CG GLU A 475 11.067 7.524 -0.173 1.00 1.66 C ATOM 230 CD GLU A 475 12.111 8.599 -0.393 1.00 2.13 C ATOM 231 OE1 GLU A 475 12.815 8.547 -1.422 1.00 2.79 O ATOM 232 OE2 GLU A 475 12.236 9.496 0.466 1.00 2.49 O ATOM 0 H GLU A 475 10.118 5.375 -1.435 1.00 0.94 H new ATOM 0 HA GLU A 475 8.438 6.752 0.329 1.00 0.84 H new ATOM 0 HB2 GLU A 475 10.046 7.798 -2.032 1.00 1.20 H new ATOM 0 HB3 GLU A 475 9.419 8.772 -0.718 1.00 1.20 H new ATOM 0 HG2 GLU A 475 10.822 7.469 0.888 1.00 1.66 H new ATOM 0 HG3 GLU A 475 11.480 6.556 -0.455 1.00 1.66 H new ATOM 239 N ASP A 476 7.646 7.369 -2.828 1.00 0.88 N ATOM 240 CA ASP A 476 6.543 7.806 -3.675 1.00 0.98 C ATOM 241 C ASP A 476 5.578 6.670 -3.934 1.00 0.85 C ATOM 242 O ASP A 476 4.410 6.899 -4.234 1.00 0.84 O ATOM 243 CB ASP A 476 7.046 8.370 -5.000 1.00 1.36 C ATOM 244 CG ASP A 476 7.823 9.652 -4.822 1.00 2.00 C ATOM 245 OD1 ASP A 476 7.389 10.513 -4.027 1.00 2.63 O ATOM 246 OD2 ASP A 476 8.867 9.813 -5.486 1.00 2.43 O ATOM 0 H ASP A 476 8.542 7.279 -3.307 1.00 0.88 H new ATOM 0 HA ASP A 476 6.020 8.599 -3.140 1.00 0.98 H new ATOM 0 HB2 ASP A 476 7.679 7.630 -5.490 1.00 1.36 H new ATOM 0 HB3 ASP A 476 6.198 8.551 -5.660 1.00 1.36 H new ATOM 251 N ARG A 477 6.064 5.443 -3.813 1.00 0.89 N ATOM 252 CA ARG A 477 5.206 4.282 -3.968 1.00 0.96 C ATOM 253 C ARG A 477 4.160 4.247 -2.876 1.00 0.80 C ATOM 254 O ARG A 477 2.965 4.213 -3.162 1.00 0.85 O ATOM 255 CB ARG A 477 6.008 2.993 -3.945 1.00 1.23 C ATOM 256 CG ARG A 477 6.086 2.314 -5.292 1.00 1.57 C ATOM 257 CD ARG A 477 6.853 3.159 -6.295 1.00 1.89 C ATOM 258 NE ARG A 477 8.180 3.524 -5.806 1.00 1.95 N ATOM 259 CZ ARG A 477 9.294 3.421 -6.532 1.00 2.54 C ATOM 260 NH1 ARG A 477 9.239 2.962 -7.775 1.00 2.96 N ATOM 261 NH2 ARG A 477 10.462 3.785 -6.016 1.00 2.98 N ATOM 0 H ARG A 477 7.040 5.229 -3.610 1.00 0.89 H new ATOM 0 HA ARG A 477 4.715 4.365 -4.937 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.018 3.208 -3.595 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.560 2.307 -3.226 1.00 1.23 H new ATOM 0 HG2 ARG A 477 6.571 1.344 -5.185 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.079 2.127 -5.666 1.00 1.57 H new ATOM 0 HD2 ARG A 477 6.951 2.610 -7.231 1.00 1.89 H new ATOM 0 HD3 ARG A 477 6.286 4.064 -6.514 1.00 1.89 H new ATOM 0 HE ARG A 477 8.259 3.879 -4.853 1.00 1.95 H new ATOM 0 HH11 ARG A 477 8.343 2.687 -8.178 1.00 2.96 H new ATOM 0 HH12 ARG A 477 10.092 2.884 -8.328 1.00 2.96 H new ATOM 0 HH21 ARG A 477 10.509 4.144 -5.062 1.00 2.98 H new ATOM 0 HH22 ARG A 477 11.313 3.705 -6.573 1.00 2.98 H new ATOM 275 N LYS A 478 4.607 4.253 -1.622 1.00 0.77 N ATOM 276 CA LYS A 478 3.677 4.257 -0.503 1.00 0.90 C ATOM 277 C LYS A 478 2.774 5.480 -0.554 1.00 0.74 C ATOM 278 O LYS A 478 1.591 5.391 -0.251 1.00 0.80 O ATOM 279 CB LYS A 478 4.407 4.212 0.836 1.00 1.21 C ATOM 280 CG LYS A 478 5.117 5.499 1.225 1.00 1.27 C ATOM 281 CD LYS A 478 5.850 5.341 2.542 1.00 1.66 C ATOM 282 CE LYS A 478 6.694 6.554 2.877 1.00 1.97 C ATOM 283 NZ LYS A 478 7.490 6.335 4.113 1.00 2.30 N ATOM 0 H LYS A 478 5.593 4.255 -1.361 1.00 0.77 H new ATOM 0 HA LYS A 478 3.067 3.358 -0.590 1.00 0.90 H new ATOM 0 HB2 LYS A 478 3.688 3.961 1.616 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.140 3.405 0.806 1.00 1.21 H new ATOM 0 HG2 LYS A 478 5.823 5.779 0.443 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.392 6.309 1.304 1.00 1.27 H new ATOM 0 HD2 LYS A 478 5.127 5.172 3.340 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.488 4.458 2.497 1.00 1.66 H new ATOM 0 HE2 LYS A 478 7.363 6.775 2.045 1.00 1.97 H new ATOM 0 HE3 LYS A 478 6.049 7.423 3.007 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 8.057 7.183 4.316 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 6.849 6.149 4.910 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 8.122 5.520 3.979 1.00 2.30 H new ATOM 297 N ARG A 479 3.343 6.616 -0.936 1.00 0.71 N ATOM 298 CA ARG A 479 2.573 7.846 -1.084 1.00 0.86 C ATOM 299 C ARG A 479 1.443 7.654 -2.090 1.00 0.80 C ATOM 300 O ARG A 479 0.278 7.924 -1.797 1.00 0.90 O ATOM 301 CB ARG A 479 3.483 8.987 -1.537 1.00 1.09 C ATOM 302 CG ARG A 479 4.466 9.437 -0.473 1.00 1.22 C ATOM 303 CD ARG A 479 5.477 10.425 -1.030 1.00 1.88 C ATOM 304 NE ARG A 479 6.441 10.843 -0.017 1.00 2.47 N ATOM 305 CZ ARG A 479 7.720 11.121 -0.267 1.00 3.27 C ATOM 306 NH1 ARG A 479 8.210 11.010 -1.498 1.00 3.65 N ATOM 307 NH2 ARG A 479 8.514 11.510 0.722 1.00 4.14 N ATOM 0 H ARG A 479 4.336 6.712 -1.149 1.00 0.71 H new ATOM 0 HA ARG A 479 2.140 8.098 -0.116 1.00 0.86 H new ATOM 0 HB2 ARG A 479 4.037 8.670 -2.421 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.867 9.836 -1.834 1.00 1.09 H new ATOM 0 HG2 ARG A 479 3.924 9.897 0.353 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.988 8.570 -0.069 1.00 1.22 H new ATOM 0 HD2 ARG A 479 6.005 9.971 -1.869 1.00 1.88 H new ATOM 0 HD3 ARG A 479 4.955 11.300 -1.418 1.00 1.88 H new ATOM 0 HE ARG A 479 6.114 10.928 0.946 1.00 2.47 H new ATOM 0 HH11 ARG A 479 7.605 10.709 -2.262 1.00 3.65 H new ATOM 0 HH12 ARG A 479 9.191 11.225 -1.678 1.00 3.65 H new ATOM 0 HH21 ARG A 479 8.145 11.595 1.669 1.00 4.14 H new ATOM 0 HH22 ARG A 479 9.494 11.724 0.535 1.00 4.14 H new ATOM 321 N TYR A 480 1.798 7.168 -3.269 1.00 0.83 N ATOM 322 CA TYR A 480 0.833 6.936 -4.336 1.00 1.03 C ATOM 323 C TYR A 480 -0.205 5.901 -3.911 1.00 0.82 C ATOM 324 O TYR A 480 -1.414 6.140 -3.998 1.00 0.82 O ATOM 325 CB TYR A 480 1.566 6.473 -5.601 1.00 1.44 C ATOM 326 CG TYR A 480 0.675 6.231 -6.799 1.00 1.81 C ATOM 327 CD1 TYR A 480 -0.034 7.273 -7.386 1.00 2.09 C ATOM 328 CD2 TYR A 480 0.559 4.962 -7.356 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.834 7.056 -8.491 1.00 2.45 C ATOM 330 CE2 TYR A 480 -0.241 4.737 -8.462 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.936 5.787 -9.026 1.00 2.55 C ATOM 332 OH TYR A 480 -1.725 5.572 -10.135 1.00 2.93 O ATOM 0 H TYR A 480 2.758 6.924 -3.514 1.00 0.83 H new ATOM 0 HA TYR A 480 0.310 7.869 -4.547 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.312 7.222 -5.866 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.105 5.553 -5.375 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.042 8.267 -6.972 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.103 4.138 -6.918 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.378 7.876 -8.935 1.00 2.45 H new ATOM 0 HE2 TYR A 480 -0.321 3.745 -8.882 1.00 2.36 H new ATOM 0 HH TYR A 480 -1.687 4.625 -10.385 1.00 2.93 H new ATOM 342 N LEU A 481 0.272 4.766 -3.417 1.00 0.91 N ATOM 343 CA LEU A 481 -0.606 3.663 -3.047 1.00 1.15 C ATOM 344 C LEU A 481 -1.518 4.031 -1.880 1.00 1.03 C ATOM 345 O LEU A 481 -2.634 3.541 -1.796 1.00 1.19 O ATOM 346 CB LEU A 481 0.210 2.418 -2.698 1.00 1.66 C ATOM 347 CG LEU A 481 -0.615 1.149 -2.475 1.00 2.09 C ATOM 348 CD1 LEU A 481 -1.392 0.792 -3.733 1.00 2.68 C ATOM 349 CD2 LEU A 481 0.280 -0.008 -2.061 1.00 2.73 C ATOM 0 H LEU A 481 1.264 4.585 -3.263 1.00 0.91 H new ATOM 0 HA LEU A 481 -1.235 3.448 -3.911 1.00 1.15 H new ATOM 0 HB2 LEU A 481 0.925 2.233 -3.500 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.788 2.621 -1.797 1.00 1.66 H new ATOM 0 HG LEU A 481 -1.324 1.340 -1.670 1.00 2.09 H new ATOM 0 HD11 LEU A 481 -1.973 -0.113 -3.557 1.00 2.68 H new ATOM 0 HD12 LEU A 481 -2.064 1.611 -3.990 1.00 2.68 H new ATOM 0 HD13 LEU A 481 -0.696 0.622 -4.555 1.00 2.68 H new ATOM 0 HD21 LEU A 481 -0.327 -0.900 -1.908 1.00 2.73 H new ATOM 0 HD22 LEU A 481 1.014 -0.198 -2.844 1.00 2.73 H new ATOM 0 HD23 LEU A 481 0.795 0.244 -1.134 1.00 2.73 H new ATOM 361 N MET A 482 -1.051 4.896 -0.986 1.00 1.05 N ATOM 362 CA MET A 482 -1.851 5.312 0.167 1.00 1.49 C ATOM 363 C MET A 482 -2.846 6.387 -0.239 1.00 1.39 C ATOM 364 O MET A 482 -3.950 6.456 0.303 1.00 1.65 O ATOM 365 CB MET A 482 -0.956 5.812 1.305 1.00 2.05 C ATOM 366 CG MET A 482 -1.719 6.220 2.556 1.00 3.10 C ATOM 367 SD MET A 482 -0.630 6.668 3.922 1.00 4.00 S ATOM 368 CE MET A 482 0.325 7.989 3.177 1.00 4.93 C ATOM 0 H MET A 482 -0.126 5.323 -1.035 1.00 1.05 H new ATOM 0 HA MET A 482 -2.403 4.444 0.528 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.244 5.029 1.565 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.377 6.665 0.951 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.367 7.064 2.322 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.365 5.399 2.866 1.00 3.10 H new ATOM 0 HE1 MET A 482 0.834 8.555 3.957 1.00 4.93 H new ATOM 0 HE2 MET A 482 1.063 7.565 2.496 1.00 4.93 H new ATOM 0 HE3 MET A 482 -0.340 8.652 2.623 1.00 4.93 H new ATOM 378 N THR A 483 -2.463 7.219 -1.197 1.00 1.25 N ATOM 379 CA THR A 483 -3.387 8.186 -1.766 1.00 1.59 C ATOM 380 C THR A 483 -4.537 7.448 -2.433 1.00 1.32 C ATOM 381 O THR A 483 -5.690 7.884 -2.396 1.00 1.59 O ATOM 382 CB THR A 483 -2.681 9.106 -2.782 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.593 9.780 -2.142 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.641 10.138 -3.356 1.00 2.46 C ATOM 0 H THR A 483 -1.524 7.243 -1.594 1.00 1.25 H new ATOM 0 HA THR A 483 -3.770 8.816 -0.963 1.00 1.59 H new ATOM 0 HB THR A 483 -2.313 8.486 -3.600 1.00 1.93 H new ATOM 0 HG1 THR A 483 -0.795 9.212 -2.169 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.112 10.771 -4.069 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.462 9.630 -3.862 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.038 10.754 -2.549 1.00 2.46 H new ATOM 392 N LEU A 484 -4.210 6.312 -3.024 1.00 0.92 N ATOM 393 CA LEU A 484 -5.216 5.427 -3.585 1.00 0.90 C ATOM 394 C LEU A 484 -5.938 4.666 -2.478 1.00 0.84 C ATOM 395 O LEU A 484 -7.161 4.581 -2.478 1.00 0.91 O ATOM 396 CB LEU A 484 -4.583 4.440 -4.569 1.00 1.15 C ATOM 397 CG LEU A 484 -3.929 5.071 -5.800 1.00 1.69 C ATOM 398 CD1 LEU A 484 -3.342 3.992 -6.696 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.933 5.919 -6.568 1.00 2.20 C ATOM 0 H LEU A 484 -3.251 5.980 -3.128 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.940 6.039 -4.122 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.831 3.855 -4.038 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -5.351 3.743 -4.904 1.00 1.15 H new ATOM 0 HG LEU A 484 -3.121 5.722 -5.466 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -2.880 4.455 -7.568 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -2.590 3.429 -6.143 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -4.134 3.318 -7.020 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -4.447 6.358 -7.439 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -5.764 5.293 -6.893 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -5.307 6.713 -5.922 1.00 2.20 H new ATOM 411 N LEU A 485 -5.174 4.134 -1.520 1.00 1.02 N ATOM 412 CA LEU A 485 -5.727 3.311 -0.451 1.00 1.47 C ATOM 413 C LEU A 485 -6.772 4.057 0.360 1.00 1.75 C ATOM 414 O LEU A 485 -7.797 3.488 0.725 1.00 1.92 O ATOM 415 CB LEU A 485 -4.613 2.823 0.466 1.00 1.90 C ATOM 416 CG LEU A 485 -5.077 2.102 1.731 1.00 2.48 C ATOM 417 CD1 LEU A 485 -5.807 0.814 1.385 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.891 1.819 2.628 1.00 3.10 C ATOM 0 H LEU A 485 -4.164 4.262 -1.467 1.00 1.02 H new ATOM 0 HA LEU A 485 -6.218 2.457 -0.919 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.968 2.151 -0.100 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.004 3.679 0.758 1.00 1.90 H new ATOM 0 HG LEU A 485 -5.775 2.749 2.263 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -6.127 0.320 2.302 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -6.679 1.043 0.773 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -5.139 0.154 0.831 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -4.230 1.305 3.528 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -3.176 1.190 2.098 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -3.412 2.758 2.905 1.00 3.10 H new ATOM 430 N ASP A 486 -6.516 5.328 0.637 1.00 1.95 N ATOM 431 CA ASP A 486 -7.448 6.144 1.418 1.00 2.47 C ATOM 432 C ASP A 486 -8.815 6.235 0.726 1.00 2.33 C ATOM 433 O ASP A 486 -9.821 6.565 1.356 1.00 2.75 O ATOM 434 CB ASP A 486 -6.874 7.546 1.646 1.00 2.90 C ATOM 435 CG ASP A 486 -7.589 8.299 2.754 1.00 3.47 C ATOM 436 OD1 ASP A 486 -7.268 8.079 3.942 1.00 3.72 O ATOM 437 OD2 ASP A 486 -8.492 9.111 2.440 1.00 3.86 O ATOM 0 H ASP A 486 -5.675 5.819 0.336 1.00 1.95 H new ATOM 0 HA ASP A 486 -7.587 5.661 2.385 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -5.815 7.465 1.892 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.943 8.118 0.720 1.00 2.90 H new ATOM 442 N ASP A 487 -8.847 5.928 -0.571 1.00 1.85 N ATOM 443 CA ASP A 487 -10.093 5.933 -1.336 1.00 1.83 C ATOM 444 C ASP A 487 -10.458 4.516 -1.800 1.00 1.35 C ATOM 445 O ASP A 487 -11.537 4.297 -2.356 1.00 1.40 O ATOM 446 CB ASP A 487 -9.970 6.871 -2.545 1.00 2.05 C ATOM 447 CG ASP A 487 -11.285 7.064 -3.283 1.00 2.41 C ATOM 448 OD1 ASP A 487 -12.104 7.893 -2.838 1.00 2.77 O ATOM 449 OD2 ASP A 487 -11.504 6.397 -4.318 1.00 2.59 O ATOM 0 H ASP A 487 -8.022 5.672 -1.114 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.890 6.295 -0.686 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -9.602 7.841 -2.210 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -9.228 6.470 -3.235 1.00 2.05 H new ATOM 454 N ILE A 488 -9.557 3.555 -1.557 1.00 1.14 N ATOM 455 CA ILE A 488 -9.781 2.165 -1.960 1.00 1.13 C ATOM 456 C ILE A 488 -11.071 1.632 -1.351 1.00 1.43 C ATOM 457 O ILE A 488 -11.340 1.823 -0.162 1.00 2.27 O ATOM 458 CB ILE A 488 -8.589 1.242 -1.591 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.457 1.410 -2.611 1.00 1.21 C ATOM 460 CG2 ILE A 488 -9.023 -0.218 -1.516 1.00 1.77 C ATOM 461 CD1 ILE A 488 -6.279 0.488 -2.378 1.00 1.67 C ATOM 0 H ILE A 488 -8.668 3.717 -1.084 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.869 2.160 -3.046 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.226 1.534 -0.605 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -7.853 1.232 -3.611 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -7.108 2.442 -2.585 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.166 -0.839 -1.256 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.796 -0.329 -0.756 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.417 -0.530 -2.483 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -5.520 0.667 -3.140 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -5.856 0.681 -1.392 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -6.612 -0.549 -2.434 1.00 1.67 H new ATOM 473 N LYS A 489 -11.863 0.972 -2.181 1.00 1.42 N ATOM 474 CA LYS A 489 -13.201 0.555 -1.799 1.00 1.75 C ATOM 475 C LYS A 489 -13.284 -0.961 -1.683 1.00 1.29 C ATOM 476 O LYS A 489 -14.158 -1.494 -0.997 1.00 1.88 O ATOM 477 CB LYS A 489 -14.200 1.053 -2.845 1.00 2.46 C ATOM 478 CG LYS A 489 -13.881 2.451 -3.341 1.00 3.04 C ATOM 479 CD LYS A 489 -14.855 2.921 -4.402 1.00 3.88 C ATOM 480 CE LYS A 489 -14.378 4.214 -5.039 1.00 4.70 C ATOM 481 NZ LYS A 489 -14.014 5.238 -4.025 1.00 5.28 N ATOM 0 H LYS A 489 -11.598 0.712 -3.131 1.00 1.42 H new ATOM 0 HA LYS A 489 -13.440 0.983 -0.826 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -14.208 0.365 -3.690 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -15.203 1.044 -2.417 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.900 3.145 -2.501 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -12.869 2.468 -3.746 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -14.965 2.152 -5.167 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -15.839 3.071 -3.958 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -13.515 4.008 -5.672 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -15.161 4.609 -5.687 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -14.296 6.179 -4.366 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -14.505 5.032 -3.132 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -12.986 5.220 -3.867 1.00 5.28 H new ATOM 495 N GLY A 490 -12.378 -1.647 -2.365 1.00 0.91 N ATOM 496 CA GLY A 490 -12.386 -3.092 -2.365 1.00 0.96 C ATOM 497 C GLY A 490 -11.378 -3.675 -1.400 1.00 0.67 C ATOM 498 O GLY A 490 -10.193 -3.334 -1.444 1.00 0.69 O ATOM 0 H GLY A 490 -11.635 -1.224 -2.921 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.383 -3.447 -2.103 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.173 -3.454 -3.371 1.00 0.96 H new ATOM 502 N ALA A 491 -11.848 -4.563 -0.533 1.00 0.70 N ATOM 503 CA ALA A 491 -10.982 -5.252 0.410 1.00 0.84 C ATOM 504 C ALA A 491 -9.980 -6.131 -0.331 1.00 0.71 C ATOM 505 O ALA A 491 -8.838 -6.293 0.106 1.00 0.69 O ATOM 506 CB ALA A 491 -11.810 -6.086 1.378 1.00 1.22 C ATOM 0 H ALA A 491 -12.832 -4.823 -0.465 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.429 -4.507 0.982 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.148 -6.596 2.078 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.489 -5.436 1.929 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.387 -6.824 0.821 1.00 1.22 H new ATOM 512 N ASN A 492 -10.411 -6.689 -1.458 1.00 0.73 N ATOM 513 CA ASN A 492 -9.533 -7.495 -2.299 1.00 0.78 C ATOM 514 C ASN A 492 -8.444 -6.631 -2.923 1.00 0.65 C ATOM 515 O ASN A 492 -7.295 -7.062 -3.039 1.00 0.67 O ATOM 516 CB ASN A 492 -10.329 -8.207 -3.397 1.00 1.00 C ATOM 517 CG ASN A 492 -11.094 -9.414 -2.884 1.00 1.61 C ATOM 518 OD1 ASN A 492 -12.224 -9.296 -2.410 1.00 2.38 O ATOM 519 ND2 ASN A 492 -10.495 -10.588 -2.992 1.00 2.19 N ATOM 0 H ASN A 492 -11.364 -6.598 -1.810 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.065 -8.249 -1.666 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.030 -7.503 -3.845 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -9.647 -8.524 -4.186 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -10.970 -11.434 -2.677 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -9.558 -10.648 -3.390 1.00 2.19 H new ATOM 526 N ASP A 493 -8.804 -5.406 -3.307 1.00 0.63 N ATOM 527 CA ASP A 493 -7.851 -4.476 -3.910 1.00 0.69 C ATOM 528 C ASP A 493 -6.698 -4.192 -2.960 1.00 0.62 C ATOM 529 O ASP A 493 -5.540 -4.474 -3.269 1.00 0.66 O ATOM 530 CB ASP A 493 -8.523 -3.146 -4.276 1.00 0.86 C ATOM 531 CG ASP A 493 -9.430 -3.233 -5.486 1.00 1.33 C ATOM 532 OD1 ASP A 493 -8.914 -3.378 -6.613 1.00 1.46 O ATOM 533 OD2 ASP A 493 -10.663 -3.130 -5.320 1.00 1.97 O ATOM 0 H ASP A 493 -9.749 -5.035 -3.211 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.474 -4.950 -4.817 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.104 -2.796 -3.423 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.752 -2.399 -4.465 1.00 0.86 H new ATOM 538 N LEU A 494 -7.031 -3.651 -1.795 1.00 0.61 N ATOM 539 CA LEU A 494 -6.028 -3.237 -0.824 1.00 0.69 C ATOM 540 C LEU A 494 -5.173 -4.413 -0.364 1.00 0.57 C ATOM 541 O LEU A 494 -3.961 -4.281 -0.211 1.00 0.56 O ATOM 542 CB LEU A 494 -6.700 -2.546 0.368 1.00 0.91 C ATOM 543 CG LEU A 494 -7.789 -3.354 1.081 1.00 1.15 C ATOM 544 CD1 LEU A 494 -7.226 -4.060 2.307 1.00 1.74 C ATOM 545 CD2 LEU A 494 -8.949 -2.450 1.461 1.00 1.77 C ATOM 0 H LEU A 494 -7.994 -3.488 -1.499 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.361 -2.525 -1.310 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -5.930 -2.289 1.096 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -7.137 -1.610 0.022 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.157 -4.118 0.397 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.018 -4.627 2.796 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -6.429 -4.739 2.002 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -6.827 -3.321 3.001 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -9.716 -3.036 1.967 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -8.594 -1.664 2.128 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -9.370 -2.001 0.562 1.00 1.77 H new ATOM 557 N ALA A 495 -5.800 -5.566 -0.168 1.00 0.56 N ATOM 558 CA ALA A 495 -5.077 -6.751 0.264 1.00 0.59 C ATOM 559 C ALA A 495 -4.055 -7.163 -0.790 1.00 0.55 C ATOM 560 O ALA A 495 -2.927 -7.539 -0.465 1.00 0.58 O ATOM 561 CB ALA A 495 -6.040 -7.895 0.545 1.00 0.68 C ATOM 0 H ALA A 495 -6.802 -5.704 -0.301 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.549 -6.513 1.187 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.479 -8.772 0.867 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.735 -7.601 1.331 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.597 -8.133 -0.361 1.00 0.68 H new ATOM 567 N LYS A 496 -4.450 -7.069 -2.056 1.00 0.59 N ATOM 568 CA LYS A 496 -3.565 -7.419 -3.156 1.00 0.68 C ATOM 569 C LYS A 496 -2.439 -6.408 -3.322 1.00 0.63 C ATOM 570 O LYS A 496 -1.301 -6.792 -3.565 1.00 0.65 O ATOM 571 CB LYS A 496 -4.346 -7.561 -4.464 1.00 0.85 C ATOM 572 CG LYS A 496 -4.797 -8.985 -4.738 1.00 1.29 C ATOM 573 CD LYS A 496 -3.606 -9.930 -4.753 1.00 1.77 C ATOM 574 CE LYS A 496 -4.013 -11.365 -5.044 1.00 2.53 C ATOM 575 NZ LYS A 496 -2.845 -12.281 -4.994 1.00 2.98 N ATOM 0 H LYS A 496 -5.377 -6.753 -2.343 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.116 -8.381 -2.910 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.219 -6.910 -4.431 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -3.724 -7.218 -5.291 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -5.509 -9.300 -3.975 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -5.316 -9.030 -5.695 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.891 -9.598 -5.505 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -3.098 -9.887 -3.789 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -4.761 -11.687 -4.319 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -4.479 -11.420 -6.028 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -3.172 -13.250 -4.806 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -2.344 -12.255 -5.905 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -2.200 -11.980 -4.236 1.00 2.98 H new ATOM 589 N PHE A 497 -2.746 -5.124 -3.184 1.00 0.64 N ATOM 590 CA PHE A 497 -1.726 -4.085 -3.304 1.00 0.70 C ATOM 591 C PHE A 497 -0.754 -4.145 -2.128 1.00 0.62 C ATOM 592 O PHE A 497 0.428 -3.811 -2.253 1.00 0.67 O ATOM 593 CB PHE A 497 -2.367 -2.698 -3.382 1.00 0.84 C ATOM 594 CG PHE A 497 -3.235 -2.493 -4.593 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.862 -3.007 -5.824 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.424 -1.785 -4.500 1.00 1.27 C ATOM 597 CE1 PHE A 497 -3.655 -2.821 -6.939 1.00 1.67 C ATOM 598 CE2 PHE A 497 -5.222 -1.595 -5.614 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.844 -2.116 -6.829 1.00 1.82 C ATOM 0 H PHE A 497 -3.685 -4.777 -2.990 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.173 -4.265 -4.226 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -2.966 -2.535 -2.486 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.580 -1.944 -3.380 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.939 -3.560 -5.913 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -4.730 -1.378 -3.548 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -3.350 -3.223 -7.894 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -6.143 -1.037 -5.529 1.00 1.72 H new ATOM 0 HZ PHE A 497 -5.472 -1.976 -7.696 1.00 1.82 H new ATOM 609 N HIS A 498 -1.260 -4.602 -0.993 1.00 0.57 N ATOM 610 CA HIS A 498 -0.455 -4.726 0.212 1.00 0.62 C ATOM 611 C HIS A 498 0.543 -5.858 0.048 1.00 0.54 C ATOM 612 O HIS A 498 1.756 -5.653 0.156 1.00 0.56 O ATOM 613 CB HIS A 498 -1.350 -4.969 1.433 1.00 0.75 C ATOM 614 CG HIS A 498 -0.593 -5.234 2.698 1.00 1.03 C ATOM 615 ND1 HIS A 498 0.216 -4.298 3.311 1.00 1.62 N ATOM 616 CD2 HIS A 498 -0.514 -6.349 3.458 1.00 1.49 C ATOM 617 CE1 HIS A 498 0.758 -4.832 4.390 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.331 -6.073 4.500 1.00 1.69 N ATOM 0 H HIS A 498 -2.231 -4.895 -0.881 1.00 0.57 H new ATOM 0 HA HIS A 498 0.090 -3.796 0.371 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -1.991 -4.100 1.580 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.004 -5.816 1.229 1.00 0.75 H new ATOM 0 HD2 HIS A 498 -1.023 -7.284 3.277 1.00 1.49 H new ATOM 0 HE1 HIS A 498 1.437 -4.335 5.068 1.00 1.85 H new ATOM 0 HE2 HIS A 498 0.588 -6.724 5.242 1.00 1.69 H new ATOM 627 N GLN A 499 0.029 -7.053 -0.230 1.00 0.54 N ATOM 628 CA GLN A 499 0.886 -8.200 -0.468 1.00 0.60 C ATOM 629 C GLN A 499 1.724 -7.976 -1.717 1.00 0.53 C ATOM 630 O GLN A 499 2.753 -8.618 -1.901 1.00 0.54 O ATOM 631 CB GLN A 499 0.070 -9.481 -0.613 1.00 0.77 C ATOM 632 CG GLN A 499 -0.876 -9.473 -1.797 1.00 1.43 C ATOM 633 CD GLN A 499 -1.517 -10.819 -2.027 1.00 2.00 C ATOM 634 OE1 GLN A 499 -0.996 -11.645 -2.777 1.00 2.63 O ATOM 635 NE2 GLN A 499 -2.648 -11.053 -1.384 1.00 2.58 N ATOM 0 H GLN A 499 -0.970 -7.247 -0.295 1.00 0.54 H new ATOM 0 HA GLN A 499 1.544 -8.312 0.394 1.00 0.60 H new ATOM 0 HB2 GLN A 499 0.752 -10.326 -0.710 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.506 -9.639 0.299 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -1.653 -8.726 -1.633 1.00 1.43 H new ATOM 0 HG3 GLN A 499 -0.331 -9.175 -2.693 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -3.044 -10.339 -0.772 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -3.125 -11.947 -1.500 1.00 2.58 H new ATOM 644 N MET A 500 1.273 -7.061 -2.572 1.00 0.54 N ATOM 645 CA MET A 500 2.014 -6.699 -3.765 1.00 0.63 C ATOM 646 C MET A 500 3.372 -6.147 -3.377 1.00 0.57 C ATOM 647 O MET A 500 4.401 -6.676 -3.786 1.00 0.58 O ATOM 648 CB MET A 500 1.251 -5.667 -4.598 1.00 0.80 C ATOM 649 CG MET A 500 1.902 -5.350 -5.933 1.00 1.26 C ATOM 650 SD MET A 500 1.989 -6.784 -7.023 1.00 1.91 S ATOM 651 CE MET A 500 0.250 -7.165 -7.228 1.00 2.52 C ATOM 0 H MET A 500 0.393 -6.558 -2.455 1.00 0.54 H new ATOM 0 HA MET A 500 2.144 -7.595 -4.372 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.240 -6.034 -4.776 1.00 0.80 H new ATOM 0 HB3 MET A 500 1.159 -4.746 -4.022 1.00 0.80 H new ATOM 0 HG2 MET A 500 1.341 -4.557 -6.427 1.00 1.26 H new ATOM 0 HG3 MET A 500 2.908 -4.968 -5.760 1.00 1.26 H new ATOM 0 HE1 MET A 500 0.116 -7.787 -8.113 1.00 2.52 H new ATOM 0 HE2 MET A 500 -0.111 -7.700 -6.350 1.00 2.52 H new ATOM 0 HE3 MET A 500 -0.314 -6.240 -7.346 1.00 2.52 H new ATOM 661 N LEU A 501 3.371 -5.096 -2.560 1.00 0.59 N ATOM 662 CA LEU A 501 4.620 -4.509 -2.088 1.00 0.65 C ATOM 663 C LEU A 501 5.375 -5.486 -1.198 1.00 0.56 C ATOM 664 O LEU A 501 6.606 -5.479 -1.165 1.00 0.62 O ATOM 665 CB LEU A 501 4.379 -3.203 -1.334 1.00 0.85 C ATOM 666 CG LEU A 501 3.795 -2.057 -2.163 1.00 1.30 C ATOM 667 CD1 LEU A 501 3.668 -0.804 -1.313 1.00 2.09 C ATOM 668 CD2 LEU A 501 4.657 -1.782 -3.387 1.00 1.91 C ATOM 0 H LEU A 501 2.528 -4.638 -2.215 1.00 0.59 H new ATOM 0 HA LEU A 501 5.224 -4.288 -2.968 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.705 -3.405 -0.501 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.325 -2.872 -0.906 1.00 0.85 H new ATOM 0 HG LEU A 501 2.802 -2.351 -2.504 1.00 1.30 H new ATOM 0 HD11 LEU A 501 3.251 0.003 -1.915 1.00 2.09 H new ATOM 0 HD12 LEU A 501 3.010 -1.003 -0.467 1.00 2.09 H new ATOM 0 HD13 LEU A 501 4.652 -0.512 -0.946 1.00 2.09 H new ATOM 0 HD21 LEU A 501 4.223 -0.964 -3.961 1.00 1.91 H new ATOM 0 HD22 LEU A 501 5.663 -1.509 -3.069 1.00 1.91 H new ATOM 0 HD23 LEU A 501 4.703 -2.677 -4.008 1.00 1.91 H new ATOM 680 N VAL A 502 4.639 -6.325 -0.474 1.00 0.53 N ATOM 681 CA VAL A 502 5.267 -7.368 0.328 1.00 0.64 C ATOM 682 C VAL A 502 6.065 -8.317 -0.568 1.00 0.61 C ATOM 683 O VAL A 502 7.197 -8.681 -0.251 1.00 0.73 O ATOM 684 CB VAL A 502 4.232 -8.172 1.149 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.901 -9.329 1.879 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.513 -7.268 2.140 1.00 1.02 C ATOM 0 H VAL A 502 3.620 -6.304 -0.427 1.00 0.53 H new ATOM 0 HA VAL A 502 5.939 -6.875 1.031 1.00 0.64 H new ATOM 0 HB VAL A 502 3.497 -8.581 0.456 1.00 0.86 H new ATOM 0 HG11 VAL A 502 4.153 -9.880 2.450 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.368 -9.996 1.154 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.661 -8.941 2.557 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.789 -7.853 2.707 1.00 1.02 H new ATOM 0 HG22 VAL A 502 4.239 -6.827 2.823 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.995 -6.475 1.600 1.00 1.02 H new ATOM 696 N LYS A 503 5.477 -8.691 -1.700 1.00 0.58 N ATOM 697 CA LYS A 503 6.154 -9.546 -2.667 1.00 0.71 C ATOM 698 C LYS A 503 7.241 -8.770 -3.405 1.00 0.69 C ATOM 699 O LYS A 503 8.203 -9.358 -3.903 1.00 0.84 O ATOM 700 CB LYS A 503 5.151 -10.150 -3.658 1.00 0.88 C ATOM 701 CG LYS A 503 4.252 -11.213 -3.040 1.00 1.35 C ATOM 702 CD LYS A 503 3.277 -11.789 -4.059 1.00 1.44 C ATOM 703 CE LYS A 503 2.516 -12.990 -3.504 1.00 2.04 C ATOM 704 NZ LYS A 503 1.649 -12.633 -2.347 1.00 2.54 N ATOM 0 H LYS A 503 4.533 -8.415 -1.970 1.00 0.58 H new ATOM 0 HA LYS A 503 6.627 -10.364 -2.123 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.530 -9.352 -4.066 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.697 -10.588 -4.494 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.866 -12.015 -2.630 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.696 -10.780 -2.208 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.568 -11.017 -4.359 1.00 1.44 H new ATOM 0 HD3 LYS A 503 3.822 -12.087 -4.955 1.00 1.44 H new ATOM 0 HE2 LYS A 503 1.902 -13.423 -4.294 1.00 2.04 H new ATOM 0 HE3 LYS A 503 3.228 -13.756 -3.197 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 1.454 -13.485 -1.783 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 2.134 -11.929 -1.754 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 0.753 -12.235 -2.694 1.00 2.54 H new ATOM 718 N ILE A 504 7.083 -7.450 -3.474 1.00 0.62 N ATOM 719 CA ILE A 504 8.124 -6.584 -4.018 1.00 0.73 C ATOM 720 C ILE A 504 9.382 -6.697 -3.166 1.00 0.73 C ATOM 721 O ILE A 504 10.490 -6.833 -3.685 1.00 0.85 O ATOM 722 CB ILE A 504 7.675 -5.102 -4.099 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.549 -4.934 -5.126 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.850 -4.194 -4.443 1.00 1.34 C ATOM 725 CD1 ILE A 504 6.930 -5.355 -6.532 1.00 1.75 C ATOM 0 H ILE A 504 6.246 -6.959 -3.161 1.00 0.62 H new ATOM 0 HA ILE A 504 8.329 -6.917 -5.035 1.00 0.73 H new ATOM 0 HB ILE A 504 7.296 -4.811 -3.119 1.00 0.87 H new ATOM 0 HG12 ILE A 504 5.687 -5.518 -4.804 1.00 1.30 H new ATOM 0 HG13 ILE A 504 6.238 -3.889 -5.142 1.00 1.30 H new ATOM 0 HG21 ILE A 504 8.508 -3.160 -4.494 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.617 -4.285 -3.674 1.00 1.34 H new ATOM 0 HG23 ILE A 504 9.266 -4.486 -5.407 1.00 1.34 H new ATOM 0 HD11 ILE A 504 6.081 -5.206 -7.199 1.00 1.75 H new ATOM 0 HD12 ILE A 504 7.772 -4.754 -6.876 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.212 -6.408 -6.533 1.00 1.75 H new ATOM 737 N ILE A 505 9.192 -6.661 -1.850 1.00 0.71 N ATOM 738 CA ILE A 505 10.282 -6.867 -0.907 1.00 0.85 C ATOM 739 C ILE A 505 10.854 -8.272 -1.060 1.00 0.97 C ATOM 740 O ILE A 505 12.054 -8.447 -1.285 1.00 1.20 O ATOM 741 CB ILE A 505 9.814 -6.655 0.551 1.00 1.10 C ATOM 742 CG1 ILE A 505 9.301 -5.222 0.742 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.945 -6.955 1.528 1.00 1.83 C ATOM 744 CD1 ILE A 505 8.742 -4.955 2.124 1.00 2.19 C ATOM 745 OXT ILE A 505 10.055 -9.231 -0.956 1.00 1.58 O ATOM 0 H ILE A 505 8.287 -6.490 -1.413 1.00 0.71 H new ATOM 0 HA ILE A 505 11.055 -6.132 -1.130 1.00 0.85 H new ATOM 0 HB ILE A 505 8.996 -7.346 0.756 1.00 1.10 H new ATOM 0 HG12 ILE A 505 10.116 -4.525 0.548 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.527 -5.021 0.001 1.00 1.49 H new ATOM 0 HG21 ILE A 505 10.595 -6.800 2.549 1.00 1.83 H new ATOM 0 HG22 ILE A 505 11.265 -7.990 1.408 1.00 1.83 H new ATOM 0 HG23 ILE A 505 11.785 -6.290 1.327 1.00 1.83 H new ATOM 0 HD11 ILE A 505 8.399 -3.922 2.184 1.00 2.19 H new ATOM 0 HD12 ILE A 505 7.905 -5.627 2.314 1.00 2.19 H new ATOM 0 HD13 ILE A 505 9.519 -5.123 2.870 1.00 2.19 H new TER 757 ILE A 505