USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=13 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 Single : A 462 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0984) USER MOD Single : A 470 SER OG : rot -83:sc= 1.28 USER MOD Single : A 471 SER OG : rot 100:sc= 1.24 USER MOD Single : A 478 LYS NZ :NH3+ -163:sc= 2.23 (180deg=1.92) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 136:sc= -0.2 (180deg=-1.06) USER MOD Single : A 483 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 489 LYS NZ :NH3+ 170:sc= 0.369 (180deg=0.118) USER MOD Single : A 492 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.2) USER MOD Single : A 496 LYS NZ :NH3+ -167:sc= -0.0158 (180deg=-0.236) USER MOD Single : A 498 HIS : no HD1:sc=-0.00421 X(o=-0.0042,f=-0.072) USER MOD Single : A 499 GLN : amide:sc= -0.774 K(o=-0.77,f=-3.8!) USER MOD Single : A 500 MET CE :methyl -152:sc= -0.223 (180deg=-0.946) USER MOD Single : A 503 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -5.708 -0.382 7.455 1.00 1.77 N ATOM 2 CA SER A 462 -4.745 0.050 8.465 1.00 1.60 C ATOM 3 C SER A 462 -3.417 -0.693 8.316 1.00 1.25 C ATOM 4 O SER A 462 -2.346 -0.095 8.446 1.00 1.09 O ATOM 5 CB SER A 462 -5.319 -0.153 9.871 1.00 1.97 C ATOM 6 OG SER A 462 -4.459 0.386 10.861 1.00 2.70 O ATOM 0 HA SER A 462 -4.553 1.112 8.315 1.00 1.60 H new ATOM 0 HB2 SER A 462 -6.298 0.322 9.939 1.00 1.97 H new ATOM 0 HB3 SER A 462 -5.468 -1.217 10.055 1.00 1.97 H new ATOM 0 HG SER A 462 -4.851 0.243 11.748 1.00 2.70 H new ATOM 14 N VAL A 463 -3.491 -1.991 8.022 1.00 1.25 N ATOM 15 CA VAL A 463 -2.292 -2.799 7.831 1.00 1.07 C ATOM 16 C VAL A 463 -1.477 -2.263 6.663 1.00 0.89 C ATOM 17 O VAL A 463 -0.319 -1.886 6.825 1.00 0.76 O ATOM 18 CB VAL A 463 -2.636 -4.285 7.578 1.00 1.28 C ATOM 19 CG1 VAL A 463 -1.367 -5.105 7.374 1.00 1.28 C ATOM 20 CG2 VAL A 463 -3.447 -4.845 8.737 1.00 1.50 C ATOM 0 H VAL A 463 -4.367 -2.502 7.912 1.00 1.25 H new ATOM 0 HA VAL A 463 -1.708 -2.736 8.749 1.00 1.07 H new ATOM 0 HB VAL A 463 -3.235 -4.348 6.669 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -1.632 -6.148 7.198 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -0.819 -4.719 6.514 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -0.742 -5.035 8.264 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -3.682 -5.892 8.545 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -2.869 -4.766 9.657 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -4.373 -4.279 8.840 1.00 1.50 H new ATOM 30 N ILE A 464 -2.113 -2.203 5.502 1.00 1.02 N ATOM 31 CA ILE A 464 -1.481 -1.715 4.282 1.00 1.02 C ATOM 32 C ILE A 464 -0.923 -0.309 4.474 1.00 0.88 C ATOM 33 O ILE A 464 0.231 -0.028 4.130 1.00 0.84 O ATOM 34 CB ILE A 464 -2.503 -1.700 3.130 1.00 1.35 C ATOM 35 CG1 ILE A 464 -2.996 -3.114 2.840 1.00 1.81 C ATOM 36 CG2 ILE A 464 -1.897 -1.078 1.879 1.00 1.96 C ATOM 37 CD1 ILE A 464 -4.235 -3.144 1.983 1.00 2.72 C ATOM 0 H ILE A 464 -3.083 -2.491 5.378 1.00 1.02 H new ATOM 0 HA ILE A 464 -0.658 -2.387 4.040 1.00 1.02 H new ATOM 0 HB ILE A 464 -3.354 -1.091 3.434 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -2.204 -3.674 2.343 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -3.201 -3.621 3.783 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -2.636 -1.078 1.078 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -1.593 -0.053 2.093 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -1.027 -1.657 1.570 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -4.535 -4.178 1.813 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -5.040 -2.611 2.489 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -4.027 -2.664 1.026 1.00 2.72 H new ATOM 49 N ARG A 465 -1.760 0.554 5.035 1.00 0.94 N ATOM 50 CA ARG A 465 -1.419 1.947 5.298 1.00 0.95 C ATOM 51 C ARG A 465 -0.135 2.052 6.114 1.00 0.83 C ATOM 52 O ARG A 465 0.768 2.814 5.769 1.00 0.90 O ATOM 53 CB ARG A 465 -2.595 2.608 6.023 1.00 1.18 C ATOM 54 CG ARG A 465 -2.358 4.037 6.470 1.00 1.57 C ATOM 55 CD ARG A 465 -3.652 4.652 6.976 1.00 1.81 C ATOM 56 NE ARG A 465 -3.445 5.926 7.656 1.00 2.13 N ATOM 57 CZ ARG A 465 -4.390 6.855 7.792 1.00 2.61 C ATOM 58 NH1 ARG A 465 -5.557 6.719 7.170 1.00 2.88 N ATOM 59 NH2 ARG A 465 -4.149 7.941 8.519 1.00 3.37 N ATOM 0 H ARG A 465 -2.706 0.304 5.324 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.237 2.464 4.356 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.463 2.590 5.364 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -2.845 2.008 6.898 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -1.605 4.059 7.257 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -1.968 4.625 5.639 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -4.331 4.800 6.136 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.137 3.955 7.660 1.00 1.81 H new ATOM 0 HE ARG A 465 -2.524 6.116 8.050 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -5.731 5.901 6.586 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -6.278 7.433 7.277 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -3.243 8.061 8.971 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -4.870 8.654 8.625 1.00 3.37 H new ATOM 73 N SER A 466 -0.046 1.268 7.178 1.00 0.80 N ATOM 74 CA SER A 466 1.154 1.239 7.996 1.00 0.87 C ATOM 75 C SER A 466 2.326 0.655 7.203 1.00 0.85 C ATOM 76 O SER A 466 3.468 1.105 7.342 1.00 1.03 O ATOM 77 CB SER A 466 0.908 0.425 9.270 1.00 0.96 C ATOM 78 OG SER A 466 2.049 0.424 10.114 1.00 1.63 O ATOM 0 H SER A 466 -0.790 0.645 7.494 1.00 0.80 H new ATOM 0 HA SER A 466 1.407 2.260 8.281 1.00 0.87 H new ATOM 0 HB2 SER A 466 0.056 0.839 9.809 1.00 0.96 H new ATOM 0 HB3 SER A 466 0.650 -0.600 9.004 1.00 0.96 H new ATOM 0 HG SER A 466 1.860 -0.102 10.919 1.00 1.63 H new ATOM 84 N ILE A 467 2.034 -0.332 6.356 1.00 0.78 N ATOM 85 CA ILE A 467 3.066 -1.002 5.576 1.00 0.91 C ATOM 86 C ILE A 467 3.827 -0.025 4.688 1.00 0.96 C ATOM 87 O ILE A 467 5.040 0.116 4.840 1.00 1.18 O ATOM 88 CB ILE A 467 2.507 -2.166 4.721 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.993 -3.290 5.624 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.568 -2.703 3.767 1.00 1.24 C ATOM 91 CD1 ILE A 467 3.023 -3.809 6.607 1.00 1.59 C ATOM 0 H ILE A 467 1.090 -0.683 6.195 1.00 0.78 H new ATOM 0 HA ILE A 467 3.758 -1.426 6.304 1.00 0.91 H new ATOM 0 HB ILE A 467 1.678 -1.781 4.127 1.00 1.02 H new ATOM 0 HG12 ILE A 467 1.126 -2.930 6.178 1.00 1.14 H new ATOM 0 HG13 ILE A 467 1.652 -4.116 5.000 1.00 1.14 H new ATOM 0 HG21 ILE A 467 3.149 -3.519 3.179 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.894 -1.905 3.100 1.00 1.24 H new ATOM 0 HG23 ILE A 467 4.420 -3.069 4.339 1.00 1.24 H new ATOM 0 HD11 ILE A 467 2.583 -4.603 7.210 1.00 1.59 H new ATOM 0 HD12 ILE A 467 3.881 -4.201 6.061 1.00 1.59 H new ATOM 0 HD13 ILE A 467 3.347 -2.996 7.257 1.00 1.59 H new ATOM 103 N ILE A 468 3.146 0.676 3.781 1.00 0.87 N ATOM 104 CA ILE A 468 3.873 1.556 2.867 1.00 0.99 C ATOM 105 C ILE A 468 4.569 2.675 3.639 1.00 1.08 C ATOM 106 O ILE A 468 5.733 2.981 3.374 1.00 1.27 O ATOM 107 CB ILE A 468 3.014 2.164 1.724 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.914 3.100 2.247 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.421 1.060 0.862 1.00 1.34 C ATOM 110 CD1 ILE A 468 0.556 2.453 2.418 1.00 1.65 C ATOM 0 H ILE A 468 2.133 0.656 3.661 1.00 0.87 H new ATOM 0 HA ILE A 468 4.606 0.912 2.380 1.00 0.99 H new ATOM 0 HB ILE A 468 3.678 2.774 1.112 1.00 1.02 H new ATOM 0 HG12 ILE A 468 2.230 3.507 3.207 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.816 3.941 1.561 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.822 1.502 0.066 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.225 0.468 0.425 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.790 0.418 1.477 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -0.154 3.191 2.791 1.00 1.65 H new ATOM 0 HD12 ILE A 468 0.211 2.071 1.457 1.00 1.65 H new ATOM 0 HD13 ILE A 468 0.632 1.631 3.129 1.00 1.65 H new ATOM 122 N LYS A 469 3.879 3.238 4.632 1.00 1.04 N ATOM 123 CA LYS A 469 4.442 4.311 5.448 1.00 1.27 C ATOM 124 C LYS A 469 5.765 3.886 6.073 1.00 1.47 C ATOM 125 O LYS A 469 6.712 4.671 6.123 1.00 1.68 O ATOM 126 CB LYS A 469 3.469 4.735 6.553 1.00 1.35 C ATOM 127 CG LYS A 469 2.232 5.462 6.047 1.00 1.75 C ATOM 128 CD LYS A 469 1.313 5.863 7.195 1.00 1.96 C ATOM 129 CE LYS A 469 1.967 6.886 8.117 1.00 2.66 C ATOM 130 NZ LYS A 469 2.179 8.192 7.439 1.00 2.97 N ATOM 0 H LYS A 469 2.930 2.968 4.889 1.00 1.04 H new ATOM 0 HA LYS A 469 4.617 5.160 4.788 1.00 1.27 H new ATOM 0 HB2 LYS A 469 3.156 3.849 7.106 1.00 1.35 H new ATOM 0 HB3 LYS A 469 3.994 5.381 7.257 1.00 1.35 H new ATOM 0 HG2 LYS A 469 2.532 6.351 5.492 1.00 1.75 H new ATOM 0 HG3 LYS A 469 1.690 4.820 5.352 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.388 6.276 6.792 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.042 4.977 7.770 1.00 1.96 H new ATOM 0 HE2 LYS A 469 1.342 7.032 8.998 1.00 2.66 H new ATOM 0 HE3 LYS A 469 2.924 6.499 8.466 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 2.449 8.909 8.143 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 2.936 8.097 6.732 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 1.300 8.485 6.967 1.00 2.97 H new ATOM 144 N SER A 470 5.840 2.640 6.520 1.00 1.46 N ATOM 145 CA SER A 470 7.050 2.139 7.156 1.00 1.71 C ATOM 146 C SER A 470 8.034 1.558 6.135 1.00 1.82 C ATOM 147 O SER A 470 9.221 1.408 6.430 1.00 2.10 O ATOM 148 CB SER A 470 6.700 1.088 8.216 1.00 1.74 C ATOM 149 OG SER A 470 5.933 0.031 7.663 1.00 2.10 O ATOM 0 H SER A 470 5.082 1.961 6.455 1.00 1.46 H new ATOM 0 HA SER A 470 7.540 2.985 7.639 1.00 1.71 H new ATOM 0 HB2 SER A 470 7.616 0.687 8.649 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.143 1.558 9.027 1.00 1.74 H new ATOM 0 HG SER A 470 4.989 0.293 7.633 1.00 2.10 H new ATOM 155 N SER A 471 7.559 1.253 4.931 1.00 1.68 N ATOM 156 CA SER A 471 8.407 0.617 3.929 1.00 1.90 C ATOM 157 C SER A 471 9.003 1.655 2.985 1.00 1.57 C ATOM 158 O SER A 471 8.284 2.307 2.228 1.00 1.83 O ATOM 159 CB SER A 471 7.614 -0.428 3.142 1.00 2.65 C ATOM 160 OG SER A 471 7.023 -1.377 4.013 1.00 3.40 O ATOM 0 H SER A 471 6.602 1.434 4.628 1.00 1.68 H new ATOM 0 HA SER A 471 9.226 0.116 4.445 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.839 0.064 2.555 1.00 2.65 H new ATOM 0 HB3 SER A 471 8.273 -0.936 2.438 1.00 2.65 H new ATOM 0 HG SER A 471 6.078 -1.154 4.148 1.00 3.40 H new ATOM 166 N ARG A 472 10.319 1.810 3.035 1.00 1.77 N ATOM 167 CA ARG A 472 10.998 2.826 2.239 1.00 1.99 C ATOM 168 C ARG A 472 11.462 2.263 0.898 1.00 1.90 C ATOM 169 O ARG A 472 12.605 1.833 0.745 1.00 2.38 O ATOM 170 CB ARG A 472 12.186 3.443 3.004 1.00 2.75 C ATOM 171 CG ARG A 472 13.172 2.436 3.584 1.00 3.26 C ATOM 172 CD ARG A 472 12.691 1.868 4.910 1.00 3.92 C ATOM 173 NE ARG A 472 13.654 0.942 5.492 1.00 4.22 N ATOM 174 CZ ARG A 472 14.022 0.966 6.771 1.00 4.90 C ATOM 175 NH1 ARG A 472 13.507 1.871 7.591 1.00 5.31 N ATOM 176 NH2 ARG A 472 14.908 0.093 7.231 1.00 5.50 N ATOM 0 H ARG A 472 10.938 1.246 3.617 1.00 1.77 H new ATOM 0 HA ARG A 472 10.274 3.617 2.044 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.725 4.110 2.331 1.00 2.75 H new ATOM 0 HB3 ARG A 472 11.796 4.056 3.816 1.00 2.75 H new ATOM 0 HG2 ARG A 472 13.320 1.623 2.873 1.00 3.26 H new ATOM 0 HG3 ARG A 472 14.140 2.916 3.725 1.00 3.26 H new ATOM 0 HD2 ARG A 472 12.507 2.685 5.608 1.00 3.92 H new ATOM 0 HD3 ARG A 472 11.741 1.356 4.761 1.00 3.92 H new ATOM 0 HE ARG A 472 14.070 0.235 4.885 1.00 4.22 H new ATOM 0 HH11 ARG A 472 12.829 2.548 7.242 1.00 5.31 H new ATOM 0 HH12 ARG A 472 13.789 1.890 8.571 1.00 5.31 H new ATOM 0 HH21 ARG A 472 15.312 -0.602 6.604 1.00 5.50 H new ATOM 0 HH22 ARG A 472 15.186 0.117 8.212 1.00 5.50 H new ATOM 190 N LEU A 473 10.562 2.253 -0.072 1.00 1.57 N ATOM 191 CA LEU A 473 10.915 1.830 -1.422 1.00 1.68 C ATOM 192 C LEU A 473 10.230 2.688 -2.483 1.00 1.46 C ATOM 193 O LEU A 473 10.652 2.702 -3.636 1.00 2.00 O ATOM 194 CB LEU A 473 10.575 0.347 -1.656 1.00 2.11 C ATOM 195 CG LEU A 473 9.090 -0.043 -1.579 1.00 1.80 C ATOM 196 CD1 LEU A 473 8.854 -1.342 -2.330 1.00 2.32 C ATOM 197 CD2 LEU A 473 8.640 -0.197 -0.137 1.00 2.17 C ATOM 0 H LEU A 473 9.588 2.530 0.046 1.00 1.57 H new ATOM 0 HA LEU A 473 11.993 1.962 -1.515 1.00 1.68 H new ATOM 0 HB2 LEU A 473 10.950 0.063 -2.639 1.00 2.11 H new ATOM 0 HB3 LEU A 473 11.121 -0.247 -0.923 1.00 2.11 H new ATOM 0 HG LEU A 473 8.506 0.755 -2.039 1.00 1.80 H new ATOM 0 HD11 LEU A 473 7.799 -1.610 -2.270 1.00 2.32 H new ATOM 0 HD12 LEU A 473 9.137 -1.215 -3.375 1.00 2.32 H new ATOM 0 HD13 LEU A 473 9.456 -2.134 -1.885 1.00 2.32 H new ATOM 0 HD21 LEU A 473 7.586 -0.473 -0.112 1.00 2.17 H new ATOM 0 HD22 LEU A 473 9.230 -0.975 0.347 1.00 2.17 H new ATOM 0 HD23 LEU A 473 8.780 0.746 0.391 1.00 2.17 H new ATOM 209 N GLU A 474 9.197 3.430 -2.092 1.00 1.28 N ATOM 210 CA GLU A 474 8.360 4.117 -3.072 1.00 1.36 C ATOM 211 C GLU A 474 8.340 5.643 -2.895 1.00 1.06 C ATOM 212 O GLU A 474 7.816 6.342 -3.746 1.00 1.14 O ATOM 213 CB GLU A 474 6.931 3.570 -3.005 1.00 1.92 C ATOM 214 CG GLU A 474 6.805 2.107 -3.401 1.00 2.48 C ATOM 215 CD GLU A 474 7.139 1.865 -4.859 1.00 3.00 C ATOM 216 OE1 GLU A 474 6.305 2.210 -5.727 1.00 3.36 O ATOM 217 OE2 GLU A 474 8.224 1.322 -5.141 1.00 3.47 O ATOM 0 H GLU A 474 8.922 3.570 -1.120 1.00 1.28 H new ATOM 0 HA GLU A 474 8.800 3.922 -4.050 1.00 1.36 H new ATOM 0 HB2 GLU A 474 6.554 3.694 -1.990 1.00 1.92 H new ATOM 0 HB3 GLU A 474 6.294 4.168 -3.657 1.00 1.92 H new ATOM 0 HG2 GLU A 474 7.467 1.507 -2.776 1.00 2.48 H new ATOM 0 HG3 GLU A 474 5.788 1.768 -3.204 1.00 2.48 H new ATOM 224 N GLU A 475 8.900 6.144 -1.794 1.00 0.94 N ATOM 225 CA GLU A 475 8.936 7.591 -1.485 1.00 0.84 C ATOM 226 C GLU A 475 7.613 8.319 -1.778 1.00 0.73 C ATOM 227 O GLU A 475 6.668 8.262 -0.982 1.00 0.73 O ATOM 228 CB GLU A 475 10.087 8.275 -2.219 1.00 1.20 C ATOM 229 CG GLU A 475 11.451 7.777 -1.786 1.00 1.66 C ATOM 230 CD GLU A 475 12.576 8.632 -2.318 1.00 2.13 C ATOM 231 OE1 GLU A 475 12.947 9.611 -1.639 1.00 2.49 O ATOM 232 OE2 GLU A 475 13.099 8.326 -3.408 1.00 2.79 O ATOM 0 H GLU A 475 9.345 5.564 -1.083 1.00 0.94 H new ATOM 0 HA GLU A 475 9.096 7.660 -0.409 1.00 0.84 H new ATOM 0 HB2 GLU A 475 9.972 8.114 -3.291 1.00 1.20 H new ATOM 0 HB3 GLU A 475 10.029 9.350 -2.050 1.00 1.20 H new ATOM 0 HG2 GLU A 475 11.498 7.757 -0.697 1.00 1.66 H new ATOM 0 HG3 GLU A 475 11.585 6.751 -2.129 1.00 1.66 H new ATOM 239 N ASP A 476 7.532 8.996 -2.922 1.00 0.88 N ATOM 240 CA ASP A 476 6.326 9.744 -3.264 1.00 0.98 C ATOM 241 C ASP A 476 5.198 8.784 -3.583 1.00 0.85 C ATOM 242 O ASP A 476 4.035 9.110 -3.400 1.00 0.84 O ATOM 243 CB ASP A 476 6.544 10.695 -4.445 1.00 1.36 C ATOM 244 CG ASP A 476 6.654 9.976 -5.775 1.00 2.00 C ATOM 245 OD1 ASP A 476 7.425 8.998 -5.867 1.00 2.43 O ATOM 246 OD2 ASP A 476 5.955 10.374 -6.729 1.00 2.63 O ATOM 0 H ASP A 476 8.276 9.042 -3.618 1.00 0.88 H new ATOM 0 HA ASP A 476 6.066 10.353 -2.398 1.00 0.98 H new ATOM 0 HB2 ASP A 476 5.718 11.405 -4.490 1.00 1.36 H new ATOM 0 HB3 ASP A 476 7.452 11.273 -4.275 1.00 1.36 H new ATOM 251 N ARG A 477 5.557 7.603 -4.068 1.00 0.89 N ATOM 252 CA ARG A 477 4.600 6.528 -4.259 1.00 0.96 C ATOM 253 C ARG A 477 4.244 5.887 -2.925 1.00 0.80 C ATOM 254 O ARG A 477 3.175 5.324 -2.784 1.00 0.85 O ATOM 255 CB ARG A 477 5.131 5.473 -5.227 1.00 1.23 C ATOM 256 CG ARG A 477 4.430 5.475 -6.573 1.00 1.57 C ATOM 257 CD ARG A 477 4.651 6.777 -7.328 1.00 1.89 C ATOM 258 NE ARG A 477 6.063 7.157 -7.370 1.00 1.95 N ATOM 259 CZ ARG A 477 6.889 6.879 -8.377 1.00 2.54 C ATOM 260 NH1 ARG A 477 6.467 6.195 -9.436 1.00 2.96 N ATOM 261 NH2 ARG A 477 8.146 7.297 -8.328 1.00 2.98 N ATOM 0 H ARG A 477 6.512 7.367 -4.337 1.00 0.89 H new ATOM 0 HA ARG A 477 3.699 6.961 -4.695 1.00 0.96 H new ATOM 0 HB2 ARG A 477 6.197 5.638 -5.382 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.024 4.488 -4.772 1.00 1.23 H new ATOM 0 HG2 ARG A 477 4.795 4.641 -7.173 1.00 1.57 H new ATOM 0 HG3 ARG A 477 3.361 5.318 -6.426 1.00 1.57 H new ATOM 0 HD2 ARG A 477 4.274 6.674 -8.345 1.00 1.89 H new ATOM 0 HD3 ARG A 477 4.076 7.572 -6.854 1.00 1.89 H new ATOM 0 HE ARG A 477 6.441 7.670 -6.573 1.00 1.95 H new ATOM 0 HH11 ARG A 477 5.499 5.876 -9.485 1.00 2.96 H new ATOM 0 HH12 ARG A 477 7.111 5.989 -10.200 1.00 2.96 H new ATOM 0 HH21 ARG A 477 8.476 7.828 -7.522 1.00 2.98 H new ATOM 0 HH22 ARG A 477 8.784 7.087 -9.096 1.00 2.98 H new ATOM 275 N LYS A 478 5.147 5.957 -1.947 1.00 0.77 N ATOM 276 CA LYS A 478 4.778 5.598 -0.574 1.00 0.90 C ATOM 277 C LYS A 478 3.578 6.431 -0.164 1.00 0.74 C ATOM 278 O LYS A 478 2.568 5.912 0.306 1.00 0.80 O ATOM 279 CB LYS A 478 5.919 5.862 0.418 1.00 1.21 C ATOM 280 CG LYS A 478 6.972 4.771 0.504 1.00 1.27 C ATOM 281 CD LYS A 478 8.232 5.282 1.197 1.00 1.66 C ATOM 282 CE LYS A 478 7.948 5.833 2.591 1.00 1.97 C ATOM 283 NZ LYS A 478 7.781 4.755 3.599 1.00 2.30 N ATOM 0 H LYS A 478 6.116 6.251 -2.072 1.00 0.77 H new ATOM 0 HA LYS A 478 4.553 4.532 -0.552 1.00 0.90 H new ATOM 0 HB2 LYS A 478 6.409 6.796 0.142 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.490 6.008 1.409 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.572 3.917 1.051 1.00 1.27 H new ATOM 0 HG3 LYS A 478 7.220 4.420 -0.498 1.00 1.27 H new ATOM 0 HD2 LYS A 478 8.957 4.471 1.271 1.00 1.66 H new ATOM 0 HD3 LYS A 478 8.688 6.062 0.587 1.00 1.66 H new ATOM 0 HE2 LYS A 478 8.765 6.488 2.894 1.00 1.97 H new ATOM 0 HE3 LYS A 478 7.045 6.443 2.561 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.315 5.140 4.445 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 7.197 3.993 3.199 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 8.714 4.376 3.860 1.00 2.30 H new ATOM 297 N ARG A 479 3.702 7.733 -0.376 1.00 0.71 N ATOM 298 CA ARG A 479 2.636 8.671 -0.059 1.00 0.86 C ATOM 299 C ARG A 479 1.468 8.540 -1.041 1.00 0.80 C ATOM 300 O ARG A 479 0.304 8.628 -0.655 1.00 0.90 O ATOM 301 CB ARG A 479 3.189 10.092 -0.100 1.00 1.09 C ATOM 302 CG ARG A 479 4.361 10.318 0.839 1.00 1.22 C ATOM 303 CD ARG A 479 4.890 11.737 0.725 1.00 1.88 C ATOM 304 NE ARG A 479 6.124 11.935 1.485 1.00 2.47 N ATOM 305 CZ ARG A 479 6.702 13.124 1.657 1.00 3.27 C ATOM 306 NH1 ARG A 479 6.124 14.219 1.180 1.00 3.65 N ATOM 307 NH2 ARG A 479 7.855 13.217 2.309 1.00 4.14 N ATOM 0 H ARG A 479 4.537 8.166 -0.769 1.00 0.71 H new ATOM 0 HA ARG A 479 2.261 8.444 0.939 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.501 10.322 -1.119 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.391 10.790 0.154 1.00 1.09 H new ATOM 0 HG2 ARG A 479 4.050 10.124 1.866 1.00 1.22 H new ATOM 0 HG3 ARG A 479 5.157 9.610 0.608 1.00 1.22 H new ATOM 0 HD2 ARG A 479 5.071 11.971 -0.324 1.00 1.88 H new ATOM 0 HD3 ARG A 479 4.132 12.434 1.081 1.00 1.88 H new ATOM 0 HE ARG A 479 6.567 11.118 1.907 1.00 2.47 H new ATOM 0 HH11 ARG A 479 5.237 14.151 0.681 1.00 3.65 H new ATOM 0 HH12 ARG A 479 6.567 15.128 1.312 1.00 3.65 H new ATOM 0 HH21 ARG A 479 8.300 12.378 2.680 1.00 4.14 H new ATOM 0 HH22 ARG A 479 8.295 14.128 2.439 1.00 4.14 H new ATOM 321 N TYR A 480 1.794 8.324 -2.311 1.00 0.83 N ATOM 322 CA TYR A 480 0.793 8.239 -3.370 1.00 1.03 C ATOM 323 C TYR A 480 -0.057 6.979 -3.223 1.00 0.82 C ATOM 324 O TYR A 480 -1.286 7.054 -3.160 1.00 0.82 O ATOM 325 CB TYR A 480 1.465 8.265 -4.746 1.00 1.44 C ATOM 326 CG TYR A 480 0.487 8.245 -5.898 1.00 1.81 C ATOM 327 CD1 TYR A 480 -0.486 9.227 -6.023 1.00 2.09 C ATOM 328 CD2 TYR A 480 0.539 7.245 -6.858 1.00 2.00 C ATOM 329 CE1 TYR A 480 -1.384 9.212 -7.072 1.00 2.45 C ATOM 330 CE2 TYR A 480 -0.354 7.223 -7.912 1.00 2.36 C ATOM 331 CZ TYR A 480 -1.312 8.210 -8.014 1.00 2.55 C ATOM 332 OH TYR A 480 -2.205 8.192 -9.061 1.00 2.93 O ATOM 0 H TYR A 480 2.754 8.203 -2.635 1.00 0.83 H new ATOM 0 HA TYR A 480 0.137 9.105 -3.281 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.084 9.159 -4.822 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.132 7.407 -4.832 1.00 1.44 H new ATOM 0 HD1 TYR A 480 -0.542 10.016 -5.288 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.289 6.472 -6.780 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -2.138 9.981 -7.153 1.00 2.45 H new ATOM 0 HE2 TYR A 480 -0.302 6.438 -8.652 1.00 2.36 H new ATOM 0 HH TYR A 480 -2.019 7.421 -9.637 1.00 2.93 H new ATOM 342 N LEU A 481 0.603 5.825 -3.167 1.00 0.91 N ATOM 343 CA LEU A 481 -0.076 4.549 -2.969 1.00 1.15 C ATOM 344 C LEU A 481 -0.859 4.572 -1.665 1.00 1.03 C ATOM 345 O LEU A 481 -1.931 3.987 -1.571 1.00 1.19 O ATOM 346 CB LEU A 481 0.932 3.398 -2.947 1.00 1.66 C ATOM 347 CG LEU A 481 0.328 1.998 -3.046 1.00 2.09 C ATOM 348 CD1 LEU A 481 -0.449 1.842 -4.344 1.00 2.68 C ATOM 349 CD2 LEU A 481 1.418 0.942 -2.947 1.00 2.73 C ATOM 0 H LEU A 481 1.616 5.749 -3.257 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.764 4.394 -3.800 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.631 3.533 -3.772 1.00 1.66 H new ATOM 0 HB3 LEU A 481 1.511 3.462 -2.026 1.00 1.66 H new ATOM 0 HG LEU A 481 -0.363 1.861 -2.214 1.00 2.09 H new ATOM 0 HD11 LEU A 481 -0.872 0.839 -4.397 1.00 2.68 H new ATOM 0 HD12 LEU A 481 -1.253 2.577 -4.377 1.00 2.68 H new ATOM 0 HD13 LEU A 481 0.220 1.998 -5.190 1.00 2.68 H new ATOM 0 HD21 LEU A 481 0.971 -0.050 -3.019 1.00 2.73 H new ATOM 0 HD22 LEU A 481 2.132 1.079 -3.759 1.00 2.73 H new ATOM 0 HD23 LEU A 481 1.933 1.039 -1.991 1.00 2.73 H new ATOM 361 N MET A 482 -0.315 5.249 -0.659 1.00 1.05 N ATOM 362 CA MET A 482 -1.037 5.463 0.587 1.00 1.49 C ATOM 363 C MET A 482 -2.347 6.191 0.310 1.00 1.39 C ATOM 364 O MET A 482 -3.405 5.779 0.766 1.00 1.65 O ATOM 365 CB MET A 482 -0.195 6.286 1.558 1.00 2.05 C ATOM 366 CG MET A 482 -0.858 6.503 2.908 1.00 3.10 C ATOM 367 SD MET A 482 -0.032 7.774 3.889 1.00 4.00 S ATOM 368 CE MET A 482 -0.290 9.218 2.855 1.00 4.93 C ATOM 0 H MET A 482 0.620 5.657 -0.683 1.00 1.05 H new ATOM 0 HA MET A 482 -1.247 4.492 1.035 1.00 1.49 H new ATOM 0 HB2 MET A 482 0.762 5.786 1.709 1.00 2.05 H new ATOM 0 HB3 MET A 482 0.019 7.255 1.108 1.00 2.05 H new ATOM 0 HG2 MET A 482 -1.900 6.786 2.756 1.00 3.10 H new ATOM 0 HG3 MET A 482 -0.860 5.565 3.463 1.00 3.10 H new ATOM 0 HE1 MET A 482 -0.590 10.062 3.477 1.00 4.93 H new ATOM 0 HE2 MET A 482 0.636 9.462 2.334 1.00 4.93 H new ATOM 0 HE3 MET A 482 -1.072 9.008 2.126 1.00 4.93 H new ATOM 378 N THR A 483 -2.257 7.265 -0.463 1.00 1.25 N ATOM 379 CA THR A 483 -3.418 8.070 -0.819 1.00 1.59 C ATOM 380 C THR A 483 -4.439 7.245 -1.604 1.00 1.32 C ATOM 381 O THR A 483 -5.646 7.489 -1.533 1.00 1.59 O ATOM 382 CB THR A 483 -2.991 9.299 -1.652 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.998 10.045 -0.936 1.00 2.27 O ATOM 384 CG2 THR A 483 -4.178 10.203 -1.966 1.00 2.46 C ATOM 0 H THR A 483 -1.380 7.602 -0.860 1.00 1.25 H new ATOM 0 HA THR A 483 -3.883 8.410 0.107 1.00 1.59 H new ATOM 0 HB THR A 483 -2.581 8.939 -2.595 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.145 9.562 -0.961 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.840 11.057 -2.553 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.921 9.644 -2.534 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.623 10.556 -1.036 1.00 2.46 H new ATOM 392 N LEU A 484 -3.942 6.268 -2.345 1.00 0.92 N ATOM 393 CA LEU A 484 -4.801 5.373 -3.109 1.00 0.90 C ATOM 394 C LEU A 484 -5.417 4.293 -2.219 1.00 0.84 C ATOM 395 O LEU A 484 -6.630 4.253 -2.022 1.00 0.91 O ATOM 396 CB LEU A 484 -4.014 4.713 -4.245 1.00 1.15 C ATOM 397 CG LEU A 484 -3.437 5.668 -5.291 1.00 1.69 C ATOM 398 CD1 LEU A 484 -2.626 4.896 -6.321 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.551 6.451 -5.970 1.00 2.20 C ATOM 0 H LEU A 484 -2.945 6.073 -2.435 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.607 5.975 -3.529 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.194 4.141 -3.810 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.667 4.001 -4.750 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.777 6.375 -4.788 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -2.222 5.589 -7.059 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -1.807 4.376 -5.824 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.268 4.169 -6.819 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -4.122 7.125 -6.711 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -5.235 5.759 -6.462 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -5.095 7.030 -5.224 1.00 2.20 H new ATOM 411 N LEU A 485 -4.573 3.433 -1.662 1.00 1.02 N ATOM 412 CA LEU A 485 -5.041 2.249 -0.951 1.00 1.47 C ATOM 413 C LEU A 485 -5.825 2.608 0.305 1.00 1.75 C ATOM 414 O LEU A 485 -6.812 1.953 0.630 1.00 1.92 O ATOM 415 CB LEU A 485 -3.869 1.327 -0.612 1.00 1.90 C ATOM 416 CG LEU A 485 -3.077 0.825 -1.823 1.00 2.48 C ATOM 417 CD1 LEU A 485 -1.962 -0.107 -1.384 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.996 0.124 -2.810 1.00 3.10 C ATOM 0 H LEU A 485 -3.558 3.534 -1.689 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.723 1.719 -1.616 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.189 1.857 0.055 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.249 0.466 -0.062 1.00 1.90 H new ATOM 0 HG LEU A 485 -2.631 1.687 -2.319 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -1.411 -0.453 -2.259 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -1.285 0.425 -0.716 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -2.388 -0.964 -0.862 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -3.415 -0.225 -3.663 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -4.472 -0.727 -2.323 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -4.761 0.821 -3.153 1.00 3.10 H new ATOM 430 N ASP A 486 -5.414 3.672 0.985 1.00 1.95 N ATOM 431 CA ASP A 486 -6.109 4.126 2.191 1.00 2.47 C ATOM 432 C ASP A 486 -7.493 4.685 1.838 1.00 2.33 C ATOM 433 O ASP A 486 -8.299 5.011 2.710 1.00 2.75 O ATOM 434 CB ASP A 486 -5.257 5.172 2.920 1.00 2.90 C ATOM 435 CG ASP A 486 -5.931 5.771 4.137 1.00 3.47 C ATOM 436 OD1 ASP A 486 -6.161 5.041 5.122 1.00 3.72 O ATOM 437 OD2 ASP A 486 -6.217 6.989 4.114 1.00 3.86 O ATOM 0 H ASP A 486 -4.606 4.237 0.725 1.00 1.95 H new ATOM 0 HA ASP A 486 -6.257 3.277 2.858 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -4.318 4.712 3.226 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -5.008 5.973 2.224 1.00 2.90 H new ATOM 442 N ASP A 487 -7.766 4.782 0.547 1.00 1.85 N ATOM 443 CA ASP A 487 -9.076 5.202 0.078 1.00 1.83 C ATOM 444 C ASP A 487 -9.764 4.063 -0.676 1.00 1.35 C ATOM 445 O ASP A 487 -10.966 4.129 -0.953 1.00 1.40 O ATOM 446 CB ASP A 487 -8.949 6.436 -0.821 1.00 2.05 C ATOM 447 CG ASP A 487 -10.285 7.086 -1.111 1.00 2.41 C ATOM 448 OD1 ASP A 487 -10.723 7.935 -0.306 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.902 6.757 -2.146 1.00 2.59 O ATOM 0 H ASP A 487 -7.097 4.575 -0.195 1.00 1.85 H new ATOM 0 HA ASP A 487 -9.686 5.463 0.943 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -8.292 7.163 -0.343 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.477 6.149 -1.761 1.00 2.05 H new ATOM 454 N ILE A 488 -9.000 3.012 -0.991 1.00 1.14 N ATOM 455 CA ILE A 488 -9.535 1.865 -1.726 1.00 1.13 C ATOM 456 C ILE A 488 -10.673 1.207 -0.952 1.00 1.43 C ATOM 457 O ILE A 488 -10.529 0.862 0.221 1.00 2.27 O ATOM 458 CB ILE A 488 -8.450 0.801 -2.047 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.411 1.356 -3.026 1.00 1.21 C ATOM 460 CG2 ILE A 488 -9.078 -0.466 -2.617 1.00 1.77 C ATOM 461 CD1 ILE A 488 -8.002 1.931 -4.299 1.00 1.67 C ATOM 0 H ILE A 488 -8.012 2.933 -0.749 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.910 2.257 -2.672 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.949 0.550 -1.112 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.833 2.132 -2.524 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.714 0.560 -3.289 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.296 -1.194 -2.833 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.774 -0.886 -1.891 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.613 -0.225 -3.536 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -7.200 2.302 -4.937 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -8.555 1.154 -4.827 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.676 2.751 -4.049 1.00 1.67 H new ATOM 473 N LYS A 489 -11.806 1.046 -1.617 1.00 1.42 N ATOM 474 CA LYS A 489 -12.992 0.480 -0.993 1.00 1.75 C ATOM 475 C LYS A 489 -13.258 -0.935 -1.496 1.00 1.29 C ATOM 476 O LYS A 489 -14.335 -1.491 -1.280 1.00 1.88 O ATOM 477 CB LYS A 489 -14.192 1.386 -1.265 1.00 2.46 C ATOM 478 CG LYS A 489 -13.977 2.802 -0.755 1.00 3.04 C ATOM 479 CD LYS A 489 -15.041 3.763 -1.251 1.00 3.88 C ATOM 480 CE LYS A 489 -14.735 5.186 -0.812 1.00 4.70 C ATOM 481 NZ LYS A 489 -13.390 5.631 -1.273 1.00 5.28 N ATOM 0 H LYS A 489 -11.930 1.302 -2.597 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.826 0.418 0.083 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -14.386 1.415 -2.337 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -15.078 0.963 -0.792 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.976 2.796 0.335 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -12.996 3.155 -1.073 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -15.098 3.718 -2.339 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -16.016 3.462 -0.868 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -15.496 5.860 -1.207 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -14.786 5.250 0.275 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -13.285 6.652 -1.104 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -12.655 5.116 -0.747 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -13.289 5.436 -2.290 1.00 5.28 H new ATOM 495 N GLY A 490 -12.264 -1.510 -2.163 1.00 0.91 N ATOM 496 CA GLY A 490 -12.365 -2.878 -2.637 1.00 0.96 C ATOM 497 C GLY A 490 -11.449 -3.799 -1.857 1.00 0.67 C ATOM 498 O GLY A 490 -10.237 -3.799 -2.075 1.00 0.69 O ATOM 0 H GLY A 490 -11.382 -1.048 -2.386 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.395 -3.222 -2.545 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.109 -2.918 -3.696 1.00 0.96 H new ATOM 502 N ALA A 491 -12.028 -4.590 -0.959 1.00 0.70 N ATOM 503 CA ALA A 491 -11.258 -5.408 -0.022 1.00 0.84 C ATOM 504 C ALA A 491 -10.369 -6.424 -0.736 1.00 0.71 C ATOM 505 O ALA A 491 -9.249 -6.694 -0.302 1.00 0.69 O ATOM 506 CB ALA A 491 -12.196 -6.114 0.945 1.00 1.22 C ATOM 0 H ALA A 491 -13.039 -4.683 -0.859 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.600 -4.739 0.532 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.614 -6.721 1.639 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.768 -5.373 1.503 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.879 -6.755 0.387 1.00 1.22 H new ATOM 512 N ASN A 492 -10.867 -6.979 -1.830 1.00 0.73 N ATOM 513 CA ASN A 492 -10.111 -7.966 -2.594 1.00 0.78 C ATOM 514 C ASN A 492 -8.825 -7.341 -3.117 1.00 0.65 C ATOM 515 O ASN A 492 -7.724 -7.872 -2.927 1.00 0.67 O ATOM 516 CB ASN A 492 -10.932 -8.482 -3.781 1.00 1.00 C ATOM 517 CG ASN A 492 -12.393 -8.696 -3.442 1.00 1.61 C ATOM 518 OD1 ASN A 492 -12.778 -9.743 -2.930 1.00 2.38 O ATOM 519 ND2 ASN A 492 -13.223 -7.709 -3.759 1.00 2.19 N ATOM 0 H ASN A 492 -11.789 -6.765 -2.210 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.878 -8.801 -1.933 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -10.856 -7.772 -4.604 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -10.504 -9.422 -4.130 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -14.222 -7.805 -3.578 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -12.861 -6.855 -4.183 1.00 2.19 H new ATOM 526 N ASP A 493 -8.990 -6.183 -3.743 1.00 0.63 N ATOM 527 CA ASP A 493 -7.901 -5.481 -4.401 1.00 0.69 C ATOM 528 C ASP A 493 -6.837 -5.053 -3.408 1.00 0.62 C ATOM 529 O ASP A 493 -5.672 -5.408 -3.559 1.00 0.66 O ATOM 530 CB ASP A 493 -8.440 -4.260 -5.151 1.00 0.86 C ATOM 531 CG ASP A 493 -9.428 -4.642 -6.230 1.00 1.33 C ATOM 532 OD1 ASP A 493 -10.622 -4.833 -5.910 1.00 1.97 O ATOM 533 OD2 ASP A 493 -9.016 -4.758 -7.403 1.00 1.46 O ATOM 0 H ASP A 493 -9.888 -5.704 -3.808 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.441 -6.167 -5.112 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -8.921 -3.584 -4.444 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.609 -3.715 -5.598 1.00 0.86 H new ATOM 538 N LEU A 494 -7.240 -4.308 -2.381 1.00 0.61 N ATOM 539 CA LEU A 494 -6.284 -3.761 -1.420 1.00 0.69 C ATOM 540 C LEU A 494 -5.490 -4.865 -0.718 1.00 0.57 C ATOM 541 O LEU A 494 -4.269 -4.768 -0.591 1.00 0.56 O ATOM 542 CB LEU A 494 -6.977 -2.820 -0.411 1.00 0.91 C ATOM 543 CG LEU A 494 -8.323 -3.289 0.163 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.136 -4.329 1.251 1.00 1.74 C ATOM 545 CD2 LEU A 494 -9.106 -2.102 0.701 1.00 1.77 C ATOM 0 H LEU A 494 -8.214 -4.070 -2.193 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.565 -3.163 -1.980 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -6.293 -2.651 0.421 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -7.132 -1.856 -0.896 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.885 -3.754 -0.647 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -9.110 -4.636 1.632 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -7.617 -5.195 0.841 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.546 -3.904 2.063 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -10.058 -2.447 1.105 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -8.532 -1.615 1.489 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -9.290 -1.392 -0.105 1.00 1.77 H new ATOM 557 N ALA A 495 -6.167 -5.931 -0.306 1.00 0.56 N ATOM 558 CA ALA A 495 -5.497 -7.040 0.358 1.00 0.59 C ATOM 559 C ALA A 495 -4.501 -7.690 -0.598 1.00 0.55 C ATOM 560 O ALA A 495 -3.439 -8.160 -0.187 1.00 0.58 O ATOM 561 CB ALA A 495 -6.512 -8.064 0.850 1.00 0.68 C ATOM 0 H ALA A 495 -7.174 -6.050 -0.420 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.957 -6.657 1.224 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.991 -8.885 1.343 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -7.194 -7.590 1.556 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -7.078 -8.451 0.003 1.00 0.68 H new ATOM 567 N LYS A 496 -4.844 -7.689 -1.884 1.00 0.59 N ATOM 568 CA LYS A 496 -3.956 -8.222 -2.909 1.00 0.68 C ATOM 569 C LYS A 496 -2.786 -7.264 -3.147 1.00 0.63 C ATOM 570 O LYS A 496 -1.669 -7.697 -3.411 1.00 0.65 O ATOM 571 CB LYS A 496 -4.739 -8.485 -4.203 1.00 0.85 C ATOM 572 CG LYS A 496 -3.938 -9.183 -5.296 1.00 1.29 C ATOM 573 CD LYS A 496 -3.229 -8.190 -6.204 1.00 1.77 C ATOM 574 CE LYS A 496 -4.219 -7.307 -6.951 1.00 2.53 C ATOM 575 NZ LYS A 496 -5.127 -8.104 -7.819 1.00 2.98 N ATOM 0 H LYS A 496 -5.729 -7.326 -2.238 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.545 -9.172 -2.567 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.613 -9.092 -3.967 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.106 -7.534 -4.590 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -3.203 -9.846 -4.840 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -4.604 -9.807 -5.891 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.561 -7.566 -5.610 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -2.609 -8.729 -6.920 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -4.810 -6.737 -6.234 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -3.674 -6.586 -7.560 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -5.631 -7.469 -8.470 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -4.570 -8.790 -8.367 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -5.816 -8.611 -7.228 1.00 2.98 H new ATOM 589 N PHE A 497 -3.042 -5.961 -3.040 1.00 0.64 N ATOM 590 CA PHE A 497 -1.976 -4.959 -3.133 1.00 0.70 C ATOM 591 C PHE A 497 -1.050 -5.064 -1.930 1.00 0.62 C ATOM 592 O PHE A 497 0.119 -4.686 -1.986 1.00 0.67 O ATOM 593 CB PHE A 497 -2.550 -3.541 -3.236 1.00 0.84 C ATOM 594 CG PHE A 497 -3.179 -3.236 -4.566 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.439 -3.324 -5.733 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.506 -2.855 -4.644 1.00 1.27 C ATOM 597 CE1 PHE A 497 -3.014 -3.038 -6.956 1.00 1.67 C ATOM 598 CE2 PHE A 497 -5.088 -2.569 -5.864 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.341 -2.661 -7.022 1.00 1.82 C ATOM 0 H PHE A 497 -3.973 -5.573 -2.889 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.407 -5.158 -4.041 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.295 -3.403 -2.452 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.753 -2.822 -3.048 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.401 -3.619 -5.687 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -5.094 -2.780 -3.741 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -2.427 -3.109 -7.859 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -6.126 -2.274 -5.912 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.794 -2.439 -7.977 1.00 1.82 H new ATOM 609 N HIS A 498 -1.581 -5.604 -0.846 1.00 0.57 N ATOM 610 CA HIS A 498 -0.791 -5.861 0.342 1.00 0.62 C ATOM 611 C HIS A 498 0.092 -7.066 0.078 1.00 0.54 C ATOM 612 O HIS A 498 1.283 -7.045 0.375 1.00 0.56 O ATOM 613 CB HIS A 498 -1.686 -6.101 1.565 1.00 0.75 C ATOM 614 CG HIS A 498 -0.925 -6.439 2.814 1.00 1.03 C ATOM 615 ND1 HIS A 498 -1.321 -7.422 3.690 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.213 -5.916 3.329 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.461 -7.493 4.686 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.481 -6.592 4.493 1.00 1.69 N ATOM 0 H HIS A 498 -2.562 -5.874 -0.766 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.175 -4.989 0.563 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.285 -5.209 1.746 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.380 -6.912 1.343 1.00 0.75 H new ATOM 0 HD2 HIS A 498 0.800 -5.116 2.903 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -0.519 -8.176 5.521 1.00 1.85 H new ATOM 0 HE2 HIS A 498 1.278 -6.425 5.107 1.00 1.69 H new ATOM 627 N GLN A 499 -0.506 -8.104 -0.506 1.00 0.54 N ATOM 628 CA GLN A 499 0.248 -9.261 -0.975 1.00 0.60 C ATOM 629 C GLN A 499 1.303 -8.811 -1.971 1.00 0.53 C ATOM 630 O GLN A 499 2.377 -9.397 -2.064 1.00 0.54 O ATOM 631 CB GLN A 499 -0.675 -10.270 -1.658 1.00 0.77 C ATOM 632 CG GLN A 499 -1.735 -10.869 -0.753 1.00 1.43 C ATOM 633 CD GLN A 499 -2.661 -11.799 -1.508 1.00 2.00 C ATOM 634 OE1 GLN A 499 -3.696 -11.378 -2.028 1.00 2.63 O ATOM 635 NE2 GLN A 499 -2.295 -13.069 -1.583 1.00 2.58 N ATOM 0 H GLN A 499 -1.512 -8.165 -0.665 1.00 0.54 H new ATOM 0 HA GLN A 499 0.718 -9.735 -0.113 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.168 -9.781 -2.499 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.069 -11.077 -2.069 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -1.254 -11.415 0.058 1.00 1.43 H new ATOM 0 HG3 GLN A 499 -2.317 -10.069 -0.296 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -1.430 -13.378 -1.139 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -2.878 -13.739 -2.085 1.00 2.58 H new ATOM 644 N MET A 500 0.978 -7.759 -2.712 1.00 0.54 N ATOM 645 CA MET A 500 1.876 -7.228 -3.717 1.00 0.63 C ATOM 646 C MET A 500 3.154 -6.708 -3.068 1.00 0.57 C ATOM 647 O MET A 500 4.257 -7.033 -3.503 1.00 0.58 O ATOM 648 CB MET A 500 1.181 -6.134 -4.539 1.00 0.80 C ATOM 649 CG MET A 500 2.001 -5.633 -5.720 1.00 1.26 C ATOM 650 SD MET A 500 3.163 -4.324 -5.282 1.00 1.91 S ATOM 651 CE MET A 500 2.030 -3.021 -4.807 1.00 2.52 C ATOM 0 H MET A 500 0.093 -7.258 -2.631 1.00 0.54 H new ATOM 0 HA MET A 500 2.150 -8.032 -4.400 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.230 -6.519 -4.907 1.00 0.80 H new ATOM 0 HB3 MET A 500 0.952 -5.292 -3.885 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.552 -6.469 -6.151 1.00 1.26 H new ATOM 0 HG3 MET A 500 1.325 -5.265 -6.492 1.00 1.26 H new ATOM 0 HE1 MET A 500 2.494 -2.051 -4.987 1.00 2.52 H new ATOM 0 HE2 MET A 500 1.116 -3.101 -5.396 1.00 2.52 H new ATOM 0 HE3 MET A 500 1.789 -3.117 -3.748 1.00 2.52 H new ATOM 661 N LEU A 501 3.008 -5.931 -2.001 1.00 0.59 N ATOM 662 CA LEU A 501 4.169 -5.436 -1.276 1.00 0.65 C ATOM 663 C LEU A 501 4.843 -6.579 -0.524 1.00 0.56 C ATOM 664 O LEU A 501 6.053 -6.568 -0.311 1.00 0.62 O ATOM 665 CB LEU A 501 3.790 -4.332 -0.299 1.00 0.85 C ATOM 666 CG LEU A 501 2.946 -3.200 -0.884 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.295 -2.399 0.230 1.00 2.09 C ATOM 668 CD2 LEU A 501 3.803 -2.296 -1.755 1.00 1.91 C ATOM 0 H LEU A 501 2.108 -5.634 -1.623 1.00 0.59 H new ATOM 0 HA LEU A 501 4.862 -5.018 -2.006 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.244 -4.778 0.532 1.00 0.85 H new ATOM 0 HB3 LEU A 501 4.704 -3.905 0.113 1.00 0.85 H new ATOM 0 HG LEU A 501 2.162 -3.635 -1.504 1.00 1.30 H new ATOM 0 HD11 LEU A 501 1.697 -1.596 -0.201 1.00 2.09 H new ATOM 0 HD12 LEU A 501 1.653 -3.053 0.821 1.00 2.09 H new ATOM 0 HD13 LEU A 501 3.067 -1.973 0.871 1.00 2.09 H new ATOM 0 HD21 LEU A 501 3.187 -1.495 -2.164 1.00 1.91 H new ATOM 0 HD22 LEU A 501 4.605 -1.867 -1.155 1.00 1.91 H new ATOM 0 HD23 LEU A 501 4.232 -2.877 -2.571 1.00 1.91 H new ATOM 680 N VAL A 502 4.056 -7.570 -0.122 1.00 0.53 N ATOM 681 CA VAL A 502 4.613 -8.774 0.477 1.00 0.64 C ATOM 682 C VAL A 502 5.471 -9.510 -0.551 1.00 0.61 C ATOM 683 O VAL A 502 6.430 -10.185 -0.211 1.00 0.73 O ATOM 684 CB VAL A 502 3.509 -9.711 1.031 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.101 -11.020 1.535 1.00 1.11 C ATOM 686 CG2 VAL A 502 2.733 -9.025 2.147 1.00 1.02 C ATOM 0 H VAL A 502 3.039 -7.563 -0.199 1.00 0.53 H new ATOM 0 HA VAL A 502 5.233 -8.473 1.322 1.00 0.64 H new ATOM 0 HB VAL A 502 2.825 -9.937 0.213 1.00 0.86 H new ATOM 0 HG11 VAL A 502 3.303 -11.657 1.917 1.00 1.11 H new ATOM 0 HG12 VAL A 502 4.610 -11.528 0.716 1.00 1.11 H new ATOM 0 HG13 VAL A 502 4.814 -10.813 2.333 1.00 1.11 H new ATOM 0 HG21 VAL A 502 1.963 -9.699 2.522 1.00 1.02 H new ATOM 0 HG22 VAL A 502 3.414 -8.765 2.957 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.266 -8.119 1.761 1.00 1.02 H new ATOM 696 N LYS A 503 5.137 -9.347 -1.820 1.00 0.58 N ATOM 697 CA LYS A 503 5.938 -9.915 -2.891 1.00 0.71 C ATOM 698 C LYS A 503 7.119 -9.006 -3.239 1.00 0.69 C ATOM 699 O LYS A 503 8.166 -9.486 -3.677 1.00 0.84 O ATOM 700 CB LYS A 503 5.085 -10.168 -4.139 1.00 0.88 C ATOM 701 CG LYS A 503 4.045 -11.264 -3.958 1.00 1.35 C ATOM 702 CD LYS A 503 3.276 -11.517 -5.247 1.00 1.44 C ATOM 703 CE LYS A 503 2.308 -12.683 -5.109 1.00 2.04 C ATOM 704 NZ LYS A 503 1.217 -12.404 -4.137 1.00 2.54 N ATOM 0 H LYS A 503 4.318 -8.827 -2.134 1.00 0.58 H new ATOM 0 HA LYS A 503 6.329 -10.869 -2.537 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.580 -9.243 -4.417 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.740 -10.435 -4.968 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.535 -12.184 -3.638 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.350 -10.981 -3.167 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.725 -10.618 -5.524 1.00 1.44 H new ATOM 0 HD3 LYS A 503 3.978 -11.722 -6.055 1.00 1.44 H new ATOM 0 HE2 LYS A 503 1.874 -12.908 -6.083 1.00 2.04 H new ATOM 0 HE3 LYS A 503 2.856 -13.570 -4.791 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 0.547 -13.200 -4.129 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 1.622 -12.282 -3.187 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 0.718 -11.535 -4.415 1.00 2.54 H new ATOM 718 N ILE A 504 6.963 -7.695 -3.043 1.00 0.62 N ATOM 719 CA ILE A 504 8.024 -6.759 -3.406 1.00 0.73 C ATOM 720 C ILE A 504 9.180 -6.786 -2.396 1.00 0.73 C ATOM 721 O ILE A 504 10.347 -6.740 -2.787 1.00 0.85 O ATOM 722 CB ILE A 504 7.510 -5.304 -3.615 1.00 0.87 C ATOM 723 CG1 ILE A 504 8.553 -4.478 -4.375 1.00 1.30 C ATOM 724 CG2 ILE A 504 7.179 -4.622 -2.298 1.00 1.34 C ATOM 725 CD1 ILE A 504 8.847 -4.999 -5.765 1.00 1.75 C ATOM 0 H ILE A 504 6.129 -7.266 -2.643 1.00 0.62 H new ATOM 0 HA ILE A 504 8.402 -7.103 -4.369 1.00 0.73 H new ATOM 0 HB ILE A 504 6.592 -5.366 -4.199 1.00 0.87 H new ATOM 0 HG12 ILE A 504 8.204 -3.448 -4.449 1.00 1.30 H new ATOM 0 HG13 ILE A 504 9.479 -4.460 -3.800 1.00 1.30 H new ATOM 0 HG21 ILE A 504 6.824 -3.610 -2.492 1.00 1.34 H new ATOM 0 HG22 ILE A 504 6.402 -5.186 -1.781 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.072 -4.581 -1.675 1.00 1.34 H new ATOM 0 HD11 ILE A 504 9.594 -4.364 -6.241 1.00 1.75 H new ATOM 0 HD12 ILE A 504 9.227 -6.019 -5.699 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.932 -4.990 -6.358 1.00 1.75 H new ATOM 737 N ILE A 505 8.870 -6.879 -1.103 1.00 0.71 N ATOM 738 CA ILE A 505 9.916 -6.911 -0.079 1.00 0.85 C ATOM 739 C ILE A 505 10.020 -8.287 0.573 1.00 0.97 C ATOM 740 O ILE A 505 11.037 -8.617 1.188 1.00 1.20 O ATOM 741 CB ILE A 505 9.697 -5.845 1.020 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.359 -6.068 1.733 1.00 1.49 C ATOM 743 CG2 ILE A 505 9.766 -4.445 0.423 1.00 1.83 C ATOM 744 CD1 ILE A 505 8.125 -5.131 2.897 1.00 2.19 C ATOM 745 OXT ILE A 505 9.035 -9.056 0.474 1.00 1.58 O ATOM 0 H ILE A 505 7.917 -6.933 -0.742 1.00 0.71 H new ATOM 0 HA ILE A 505 10.848 -6.686 -0.598 1.00 0.85 H new ATOM 0 HB ILE A 505 10.493 -5.943 1.759 1.00 1.10 H new ATOM 0 HG12 ILE A 505 7.550 -5.947 1.013 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.316 -7.096 2.092 1.00 1.49 H new ATOM 0 HG21 ILE A 505 9.610 -3.706 1.209 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.745 -4.291 -0.031 1.00 1.83 H new ATOM 0 HG23 ILE A 505 8.992 -4.335 -0.337 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.158 -5.349 3.351 1.00 2.19 H new ATOM 0 HD12 ILE A 505 8.913 -5.267 3.638 1.00 2.19 H new ATOM 0 HD13 ILE A 505 8.135 -4.100 2.542 1.00 2.19 H new